USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: Y 105 HIS : no HE2:sc= -6.42 K(o=-9.5,f=-13!) USER MOD Set 1.2: Y 109 MET CE :methyl 168:sc= -3.11 (180deg=-0.842) USER MOD Set 2.1: X 105 HIS : no HE2:sc= -5.66 K(o=-8.4,f=-11!) USER MOD Set 2.2: X 109 MET CE :methyl 174:sc= -2.7 (180deg=-0.745) USER MOD Set 3.1: A 78 SER OG : rot -150:sc= 1.87 USER MOD Set 3.2: B 78 SER OG : rot 73:sc= -1.22! USER MOD Set 4.1: B 57 MET CE :methyl -116:sc= -0.482 (180deg=-4.41!) USER MOD Set 4.2: B 68 CYS SG : rot 180:sc= 0.235 USER MOD Set 5.1: B 28 LYS NZ :NH3+ 133:sc= -0.319 (180deg=-2.37!) USER MOD Set 5.2: B 30 SER OG : rot 170:sc= -0.154 USER MOD Set 6.1: A 81 THR OG1 : rot 78:sc= 0.137 USER MOD Set 6.2: B 7 MET CE :methyl 177:sc= 0 (180deg=-0.0209) USER MOD Set 7.1: A 57 MET CE :methyl -114:sc= -0.563 (180deg=-4.53!) USER MOD Set 7.2: A 68 CYS SG : rot 180:sc= 0.184 USER MOD Set 8.1: A 28 LYS NZ :NH3+ 137:sc= -0.105 (180deg=-2.1!) USER MOD Set 8.2: A 30 SER OG : rot 170:sc= -0.253 USER MOD Set 9.1: A 16 GLN :FLIP amide:sc= -0.941! F(o=-1.5,f=-0.94!) USER MOD Set 9.2: B 0 MET CE :methyl -174:sc= 0 (180deg=-0.0275) USER MOD Set10.1: A 7 MET CE :methyl 177:sc= 0 (180deg=-0.0171) USER MOD Set10.2: B 81 THR OG1 : rot 77:sc= 0.0556 USER MOD Set11.1: A 0 MET CE :methyl -176:sc= 0 (180deg=-0.0123) USER MOD Set11.2: B 16 GLN :FLIP amide:sc= -0.685! F(o=-1.4,f=-0.69!) USER MOD Single : A 0 MET N :NH3+ 159:sc= -0.01 (180deg=-0.637) USER MOD Single : A 1 SER OG : rot 180:sc= -0.872 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 17 TYR OH : rot -4:sc= -0.279 USER MOD Single : A 18 SER OG : rot 124:sc= 0.224 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -0.146 (180deg=-0.838) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -103:sc= -0.903 (180deg=-4.63!) USER MOD Single : A 37 ASN : amide:sc=-0.00726 X(o=-0.0073,f=-0.0073) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.279 F(o=-1.8!,f=-0.28) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.401) USER MOD Single : A 50 GLN : amide:sc= -1.7 K(o=-1.7,f=-4.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0125 K(o=-0.013,f=-0.69) USER MOD Single : A 74 MET CE :methyl -151:sc= -1.29 (180deg=-4.5!) USER MOD Single : A 79 MET CE :methyl -170:sc= -0.17 (180deg=-0.336) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.156 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 0 MET N :NH3+ 159:sc=-0.00964 (180deg=-0.715) USER MOD Single : B 1 SER OG : rot 180:sc= -0.948 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 17 TYR OH : rot -2:sc= -0.287 USER MOD Single : B 18 SER OG : rot 129:sc= 0.0821 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : B 26 LYS NZ :NH3+ 152:sc= -0.116 (180deg=-0.656) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 135:sc= -1.24 (180deg=-5.33!) USER MOD Single : B 37 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.29 F(o=-2!,f=-0.29) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.38) USER MOD Single : B 48 LYS NZ :NH3+ 142:sc= -0.0167 (180deg=-0.36) USER MOD Single : B 50 GLN : amide:sc= -1.6 K(o=-1.6,f=-4!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc=-0.00712 K(o=-0.0071,f=-0.73) USER MOD Single : B 74 MET CE :methyl -153:sc= -1.45 (180deg=-4.32!) USER MOD Single : B 79 MET CE :methyl -171:sc= -0.241 (180deg=-0.417) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : B 84 CYS SG : rot 180:sc= -0.141 USER MOD Single : B 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 106 LYS NZ :NH3+ -155:sc= -0.059 (180deg=-0.426) USER MOD Single : X 107 LYS NZ :NH3+ 135:sc= -1.61 (180deg=-4.03!) USER MOD Single : X 111 LYS NZ :NH3+ 146:sc= -11! (180deg=-15.9!) USER MOD Single : X 112 THR OG1 : rot -17:sc= -0.294 USER MOD Single : Y 106 LYS NZ :NH3+ -153:sc= -0.101 (180deg=-0.644) USER MOD Single : Y 107 LYS NZ :NH3+ 133:sc= -1.28 (180deg=-3.66!) USER MOD Single : Y 111 LYS NZ :NH3+ 140:sc= -11.7! (180deg=-16.5!) USER MOD Single : Y 112 THR OG1 : rot -16:sc= -0.201 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.237 -2.643 -12.948 1.00 0.00 N ATOM 2 CA MET A 0 1.908 -2.383 -14.380 1.00 0.00 C ATOM 3 C MET A 0 0.670 -1.486 -14.472 1.00 0.00 C ATOM 4 O MET A 0 -0.386 -1.817 -13.971 1.00 0.00 O ATOM 5 CB MET A 0 1.624 -3.713 -15.081 1.00 0.00 C ATOM 6 CG MET A 0 1.434 -3.473 -16.581 1.00 0.00 C ATOM 7 SD MET A 0 1.095 -5.046 -17.415 1.00 0.00 S ATOM 8 CE MET A 0 2.809 -5.599 -17.614 1.00 0.00 C ATOM 0 H1 MET A 0 2.821 -3.500 -12.876 1.00 0.00 H new ATOM 0 H2 MET A 0 2.761 -1.833 -12.560 1.00 0.00 H new ATOM 0 H3 MET A 0 1.358 -2.777 -12.409 1.00 0.00 H new ATOM 0 HA MET A 0 2.750 -1.885 -14.861 1.00 0.00 H new ATOM 0 HB2 MET A 0 2.449 -4.406 -14.915 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.730 -4.174 -14.660 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.611 -2.778 -16.746 1.00 0.00 H new ATOM 0 HG3 MET A 0 2.328 -3.013 -17.001 1.00 0.00 H new ATOM 0 HE1 MET A 0 2.827 -6.531 -18.178 1.00 0.00 H new ATOM 0 HE2 MET A 0 3.377 -4.839 -18.151 1.00 0.00 H new ATOM 0 HE3 MET A 0 3.256 -5.760 -16.633 1.00 0.00 H new ATOM 20 N SER A 1 0.792 -0.352 -15.110 1.00 0.00 N ATOM 21 CA SER A 1 -0.383 0.564 -15.234 1.00 0.00 C ATOM 22 C SER A 1 -0.923 0.886 -13.836 1.00 0.00 C ATOM 23 O SER A 1 -2.117 0.948 -13.614 1.00 0.00 O ATOM 24 CB SER A 1 -1.475 -0.122 -16.068 1.00 0.00 C ATOM 25 OG SER A 1 -0.864 -0.935 -17.062 1.00 0.00 O ATOM 0 H SER A 1 1.650 -0.020 -15.550 1.00 0.00 H new ATOM 0 HA SER A 1 -0.081 1.489 -15.726 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.112 -0.730 -15.425 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.115 0.626 -16.536 1.00 0.00 H new ATOM 0 HG SER A 1 -1.558 -1.376 -17.596 1.00 0.00 H new ATOM 31 N GLU A 2 -0.045 1.086 -12.898 1.00 0.00 N ATOM 32 CA GLU A 2 -0.474 1.400 -11.506 1.00 0.00 C ATOM 33 C GLU A 2 -1.019 2.822 -11.428 1.00 0.00 C ATOM 34 O GLU A 2 -1.619 3.197 -10.449 1.00 0.00 O ATOM 35 CB GLU A 2 0.725 1.270 -10.574 1.00 0.00 C ATOM 36 CG GLU A 2 1.100 -0.202 -10.470 1.00 0.00 C ATOM 37 CD GLU A 2 2.304 -0.367 -9.540 1.00 0.00 C ATOM 38 OE1 GLU A 2 2.889 0.640 -9.177 1.00 0.00 O ATOM 39 OE2 GLU A 2 2.623 -1.498 -9.211 1.00 0.00 O ATOM 0 H GLU A 2 0.965 1.045 -13.036 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.258 0.704 -11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.566 1.849 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.484 1.670 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.255 -0.776 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.336 -0.597 -11.458 1.00 0.00 H new ATOM 46 N LEU A 3 -0.798 3.623 -12.436 1.00 0.00 N ATOM 47 CA LEU A 3 -1.282 5.039 -12.389 1.00 0.00 C ATOM 48 C LEU A 3 -2.700 5.099 -11.831 1.00 0.00 C ATOM 49 O LEU A 3 -3.138 6.115 -11.347 1.00 0.00 O ATOM 50 CB LEU A 3 -1.287 5.647 -13.793 1.00 0.00 C ATOM 51 CG LEU A 3 0.123 5.634 -14.392 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.077 6.292 -15.775 1.00 0.00 C ATOM 53 CD2 LEU A 3 1.100 6.399 -13.479 1.00 0.00 C ATOM 0 H LEU A 3 -0.305 3.361 -13.289 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.607 5.602 -11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.966 5.086 -14.435 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.660 6.670 -13.751 1.00 0.00 H new ATOM 0 HG LEU A 3 0.471 4.605 -14.481 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.075 6.289 -16.213 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.604 5.736 -16.420 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.274 7.319 -15.678 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.098 6.381 -13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.768 7.432 -13.375 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.127 5.926 -12.497 1.00 0.00 H new ATOM 65 N GLU A 4 -3.425 4.032 -11.882 1.00 0.00 N ATOM 66 CA GLU A 4 -4.803 4.090 -11.319 1.00 0.00 C ATOM 67 C GLU A 4 -4.700 4.198 -9.796 1.00 0.00 C ATOM 68 O GLU A 4 -5.439 4.917 -9.151 1.00 0.00 O ATOM 69 CB GLU A 4 -5.572 2.818 -11.690 1.00 0.00 C ATOM 70 CG GLU A 4 -7.013 2.919 -11.180 1.00 0.00 C ATOM 71 CD GLU A 4 -7.782 1.649 -11.550 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.228 0.831 -12.266 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.913 1.518 -11.112 1.00 0.00 O ATOM 0 H GLU A 4 -3.140 3.136 -12.278 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.332 4.952 -11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.567 2.681 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.083 1.946 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.017 3.056 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.502 3.791 -11.614 1.00 0.00 H new ATOM 80 N LYS A 5 -3.782 3.473 -9.230 1.00 0.00 N ATOM 81 CA LYS A 5 -3.589 3.482 -7.754 1.00 0.00 C ATOM 82 C LYS A 5 -2.801 4.720 -7.319 1.00 0.00 C ATOM 83 O LYS A 5 -3.140 5.372 -6.356 1.00 0.00 O ATOM 84 CB LYS A 5 -2.802 2.222 -7.388 1.00 0.00 C ATOM 85 CG LYS A 5 -2.562 2.144 -5.882 1.00 0.00 C ATOM 86 CD LYS A 5 -1.761 0.872 -5.584 1.00 0.00 C ATOM 87 CE LYS A 5 -0.328 1.000 -6.135 1.00 0.00 C ATOM 88 NZ LYS A 5 0.591 0.174 -5.305 1.00 0.00 N ATOM 0 H LYS A 5 -3.143 2.861 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.556 3.504 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.348 1.339 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.847 2.221 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.018 3.024 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.512 2.128 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.730 0.697 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.255 0.010 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.294 0.671 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.012 2.043 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.560 0.257 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.565 0.508 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.291 -0.821 -5.341 1.00 0.00 H new ATOM 102 N ALA A 6 -1.730 5.019 -7.997 1.00 0.00 N ATOM 103 CA ALA A 6 -0.891 6.182 -7.607 1.00 0.00 C ATOM 104 C ALA A 6 -1.647 7.494 -7.774 1.00 0.00 C ATOM 105 O ALA A 6 -1.647 8.326 -6.898 1.00 0.00 O ATOM 106 CB ALA A 6 0.369 6.206 -8.480 1.00 0.00 C ATOM 0 H ALA A 6 -1.398 4.502 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.624 6.077 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.990 7.057 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.931 5.283 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.084 6.295 -9.528 1.00 0.00 H new ATOM 112 N MET A 7 -2.269 7.698 -8.894 1.00 0.00 N ATOM 113 CA MET A 7 -2.995 8.978 -9.109 1.00 0.00 C ATOM 114 C MET A 7 -4.082 9.140 -8.050 1.00 0.00 C ATOM 115 O MET A 7 -4.307 10.217 -7.529 1.00 0.00 O ATOM 116 CB MET A 7 -3.635 8.982 -10.499 1.00 0.00 C ATOM 117 CG MET A 7 -2.548 9.059 -11.576 1.00 0.00 C ATOM 118 SD MET A 7 -3.331 9.360 -13.180 1.00 0.00 S ATOM 119 CE MET A 7 -1.855 9.907 -14.072 1.00 0.00 C ATOM 0 H MET A 7 -2.308 7.037 -9.670 1.00 0.00 H new ATOM 0 HA MET A 7 -2.289 9.805 -9.032 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.231 8.080 -10.636 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.313 9.830 -10.594 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.844 9.858 -11.344 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.978 8.130 -11.603 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.109 10.096 -15.115 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.475 10.823 -13.619 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.090 9.132 -14.020 1.00 0.00 H new ATOM 129 N VAL A 8 -4.754 8.080 -7.726 1.00 0.00 N ATOM 130 CA VAL A 8 -5.828 8.167 -6.702 1.00 0.00 C ATOM 131 C VAL A 8 -5.220 8.546 -5.348 1.00 0.00 C ATOM 132 O VAL A 8 -5.801 9.283 -4.576 1.00 0.00 O ATOM 133 CB VAL A 8 -6.546 6.815 -6.592 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.482 6.818 -5.372 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.363 6.570 -7.869 1.00 0.00 C ATOM 0 H VAL A 8 -4.608 7.153 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.547 8.931 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.808 6.022 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.989 5.856 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.900 6.990 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.222 7.610 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.875 5.610 -7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.099 7.365 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.696 6.560 -8.731 1.00 0.00 H new ATOM 145 N ALA A 9 -4.072 8.012 -5.043 1.00 0.00 N ATOM 146 CA ALA A 9 -3.435 8.298 -3.724 1.00 0.00 C ATOM 147 C ALA A 9 -2.978 9.757 -3.625 1.00 0.00 C ATOM 148 O ALA A 9 -3.024 10.347 -2.566 1.00 0.00 O ATOM 149 CB ALA A 9 -2.241 7.374 -3.524 1.00 0.00 C ATOM 0 H ALA A 9 -3.543 7.387 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.177 8.124 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.776 7.583 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.576 6.337 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.515 7.539 -4.320 1.00 0.00 H new ATOM 155 N LEU A 10 -2.532 10.354 -4.696 1.00 0.00 N ATOM 156 CA LEU A 10 -2.085 11.773 -4.592 1.00 0.00 C ATOM 157 C LEU A 10 -3.273 12.598 -4.121 1.00 0.00 C ATOM 158 O LEU A 10 -3.149 13.500 -3.317 1.00 0.00 O ATOM 159 CB LEU A 10 -1.648 12.308 -5.961 1.00 0.00 C ATOM 160 CG LEU A 10 -0.486 11.492 -6.533 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.094 12.082 -7.893 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.719 11.539 -5.580 1.00 0.00 C ATOM 0 H LEU A 10 -2.458 9.932 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.244 11.837 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.491 12.278 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.350 13.352 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.793 10.453 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.734 11.510 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.947 12.035 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.211 13.121 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.538 10.954 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.040 12.572 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.435 11.123 -4.613 1.00 0.00 H new ATOM 174 N ILE A 11 -4.426 12.289 -4.630 1.00 0.00 N ATOM 175 CA ILE A 11 -5.649 13.036 -4.241 1.00 0.00 C ATOM 176 C ILE A 11 -6.009 12.766 -2.771 1.00 0.00 C ATOM 177 O ILE A 11 -6.435 13.655 -2.060 1.00 0.00 O ATOM 178 CB ILE A 11 -6.796 12.614 -5.168 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.522 13.166 -6.575 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.123 13.168 -4.647 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.469 12.529 -7.598 1.00 0.00 C ATOM 0 H ILE A 11 -4.577 11.542 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.471 14.107 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.860 11.526 -5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.650 14.249 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.488 12.966 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.931 12.863 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.311 12.780 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.074 14.256 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.259 12.933 -8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.321 11.449 -7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.501 12.751 -7.326 1.00 0.00 H new ATOM 193 N ASP A 12 -5.875 11.549 -2.312 1.00 0.00 N ATOM 194 CA ASP A 12 -6.247 11.243 -0.894 1.00 0.00 C ATOM 195 C ASP A 12 -5.388 12.043 0.103 1.00 0.00 C ATOM 196 O ASP A 12 -5.886 12.553 1.087 1.00 0.00 O ATOM 197 CB ASP A 12 -6.062 9.744 -0.640 1.00 0.00 C ATOM 198 CG ASP A 12 -6.456 9.403 0.802 1.00 0.00 C ATOM 199 OD1 ASP A 12 -6.641 10.322 1.583 1.00 0.00 O ATOM 200 OD2 ASP A 12 -6.573 8.225 1.098 1.00 0.00 O ATOM 0 H ASP A 12 -5.527 10.757 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.288 11.529 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.673 9.171 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.024 9.462 -0.818 1.00 0.00 H new ATOM 205 N VAL A 13 -4.105 12.135 -0.121 1.00 0.00 N ATOM 206 CA VAL A 13 -3.221 12.876 0.839 1.00 0.00 C ATOM 207 C VAL A 13 -3.475 14.393 0.737 1.00 0.00 C ATOM 208 O VAL A 13 -3.395 15.116 1.719 1.00 0.00 O ATOM 209 CB VAL A 13 -1.734 12.489 0.550 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.849 13.717 0.302 1.00 0.00 C ATOM 211 CG2 VAL A 13 -1.142 11.708 1.737 1.00 0.00 C ATOM 0 H VAL A 13 -3.626 11.731 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.449 12.596 1.867 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.746 11.876 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.174 13.395 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.226 14.270 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.865 14.360 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.106 11.446 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.180 12.326 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.720 10.798 1.899 1.00 0.00 H new ATOM 221 N PHE A 14 -3.788 14.889 -0.424 1.00 0.00 N ATOM 222 CA PHE A 14 -4.041 16.351 -0.535 1.00 0.00 C ATOM 223 C PHE A 14 -5.200 16.721 0.379 1.00 0.00 C ATOM 224 O PHE A 14 -5.178 17.739 1.023 1.00 0.00 O ATOM 225 CB PHE A 14 -4.386 16.731 -1.976 1.00 0.00 C ATOM 226 CG PHE A 14 -4.676 18.216 -2.043 1.00 0.00 C ATOM 227 CD1 PHE A 14 -3.643 19.128 -2.297 1.00 0.00 C ATOM 228 CD2 PHE A 14 -5.985 18.680 -1.852 1.00 0.00 C ATOM 229 CE1 PHE A 14 -3.919 20.500 -2.358 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.260 20.051 -1.913 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.227 20.961 -2.167 1.00 0.00 C ATOM 0 H PHE A 14 -3.879 14.356 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.141 16.892 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.558 16.480 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.252 16.163 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.634 18.773 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.783 17.978 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.122 21.203 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.269 20.407 -1.764 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.439 22.019 -2.216 1.00 0.00 H new ATOM 241 N HIS A 15 -6.210 15.905 0.443 1.00 0.00 N ATOM 242 CA HIS A 15 -7.369 16.222 1.323 1.00 0.00 C ATOM 243 C HIS A 15 -7.021 15.936 2.787 1.00 0.00 C ATOM 244 O HIS A 15 -7.649 16.453 3.692 1.00 0.00 O ATOM 245 CB HIS A 15 -8.572 15.366 0.915 1.00 0.00 C ATOM 246 CG HIS A 15 -9.836 15.970 1.469 1.00 0.00 C ATOM 247 ND1 HIS A 15 -10.329 15.640 2.725 1.00 0.00 N ATOM 248 CD2 HIS A 15 -10.717 16.888 0.950 1.00 0.00 C ATOM 249 CE1 HIS A 15 -11.456 16.350 2.918 1.00 0.00 C ATOM 250 NE2 HIS A 15 -11.734 17.124 1.867 1.00 0.00 N ATOM 0 H HIS A 15 -6.285 15.030 -0.076 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.612 17.279 1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.634 15.302 -0.171 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.450 14.349 1.287 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.632 17.354 -0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.060 16.300 3.812 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.527 17.756 1.759 1.00 0.00 H new ATOM 259 N GLN A 16 -6.049 15.096 3.029 1.00 0.00 N ATOM 260 CA GLN A 16 -5.698 14.750 4.433 1.00 0.00 C ATOM 261 C GLN A 16 -5.411 16.011 5.246 1.00 0.00 C ATOM 262 O GLN A 16 -5.858 16.128 6.369 1.00 0.00 O ATOM 263 CB GLN A 16 -4.459 13.842 4.426 1.00 0.00 C ATOM 264 CG GLN A 16 -3.921 13.651 5.847 1.00 0.00 C ATOM 265 CD GLN A 16 -5.057 13.217 6.777 1.00 0.00 C ATOM 266 OE1 GLN A 16 -5.489 11.986 6.730 1.00 0.00 O flip ATOM 267 NE2 GLN A 16 -5.562 14.008 7.549 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.485 14.636 2.314 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.539 14.232 4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.714 12.874 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.685 14.279 3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.130 12.901 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.479 14.580 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.225 14.970 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.323 13.710 8.160 1.00 0.00 H new ATOM 276 N TYR A 17 -4.664 16.948 4.713 1.00 0.00 N ATOM 277 CA TYR A 17 -4.352 18.196 5.506 1.00 0.00 C ATOM 278 C TYR A 17 -4.901 19.451 4.812 1.00 0.00 C ATOM 279 O TYR A 17 -5.145 20.456 5.451 1.00 0.00 O ATOM 280 CB TYR A 17 -2.835 18.318 5.670 1.00 0.00 C ATOM 281 CG TYR A 17 -2.206 18.582 4.329 1.00 0.00 C ATOM 282 CD1 TYR A 17 -2.138 17.555 3.387 1.00 0.00 C ATOM 283 CD2 TYR A 17 -1.693 19.849 4.028 1.00 0.00 C ATOM 284 CE1 TYR A 17 -1.563 17.789 2.139 1.00 0.00 C ATOM 285 CE2 TYR A 17 -1.112 20.086 2.779 1.00 0.00 C ATOM 286 CZ TYR A 17 -1.048 19.058 1.831 1.00 0.00 C ATOM 287 OH TYR A 17 -0.480 19.295 0.596 1.00 0.00 O ATOM 0 H TYR A 17 -4.259 16.912 3.778 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.831 18.116 6.482 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.597 19.127 6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.430 17.402 6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.531 16.578 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.746 20.642 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.514 16.994 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.713 21.062 2.545 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.460 18.462 0.080 1.00 0.00 H new ATOM 297 N SER A 18 -5.093 19.421 3.521 1.00 0.00 N ATOM 298 CA SER A 18 -5.619 20.641 2.829 1.00 0.00 C ATOM 299 C SER A 18 -6.988 21.002 3.407 1.00 0.00 C ATOM 300 O SER A 18 -7.306 22.158 3.605 1.00 0.00 O ATOM 301 CB SER A 18 -5.775 20.377 1.331 1.00 0.00 C ATOM 302 OG SER A 18 -4.518 19.994 0.786 1.00 0.00 O ATOM 0 H SER A 18 -4.912 18.618 2.919 1.00 0.00 H new ATOM 0 HA SER A 18 -4.915 21.459 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.511 19.591 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.144 21.271 0.829 1.00 0.00 H new ATOM 0 HG SER A 18 -4.607 19.128 0.336 1.00 0.00 H new ATOM 308 N GLY A 19 -7.804 20.018 3.672 1.00 0.00 N ATOM 309 CA GLY A 19 -9.155 20.298 4.228 1.00 0.00 C ATOM 310 C GLY A 19 -9.048 20.610 5.719 1.00 0.00 C ATOM 311 O GLY A 19 -10.039 20.827 6.388 1.00 0.00 O ATOM 0 H GLY A 19 -7.591 19.031 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.607 21.140 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.807 19.438 4.073 1.00 0.00 H new ATOM 315 N ARG A 20 -7.858 20.643 6.247 1.00 0.00 N ATOM 316 CA ARG A 20 -7.706 20.951 7.695 1.00 0.00 C ATOM 317 C ARG A 20 -8.290 22.337 7.957 1.00 0.00 C ATOM 318 O ARG A 20 -8.984 22.559 8.929 1.00 0.00 O ATOM 319 CB ARG A 20 -6.223 20.969 8.054 1.00 0.00 C ATOM 320 CG ARG A 20 -6.055 21.235 9.550 1.00 0.00 C ATOM 321 CD ARG A 20 -4.570 21.288 9.878 1.00 0.00 C ATOM 322 NE ARG A 20 -4.390 21.524 11.338 1.00 0.00 N ATOM 323 CZ ARG A 20 -3.223 21.336 11.886 1.00 0.00 C ATOM 324 NH1 ARG A 20 -2.220 20.943 11.154 1.00 0.00 N ATOM 325 NH2 ARG A 20 -3.058 21.540 13.164 1.00 0.00 N ATOM 0 H ARG A 20 -6.988 20.471 5.742 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.220 20.199 8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.764 20.016 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.710 21.739 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.535 22.175 9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.541 20.450 10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.089 20.354 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.089 22.084 9.309 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.178 21.832 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.349 20.783 10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.305 20.795 11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.844 21.847 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.143 21.392 13.590 1.00 0.00 H new ATOM 339 N GLU A 21 -8.007 23.271 7.084 1.00 0.00 N ATOM 340 CA GLU A 21 -8.528 24.667 7.247 1.00 0.00 C ATOM 341 C GLU A 21 -9.508 24.980 6.111 1.00 0.00 C ATOM 342 O GLU A 21 -9.551 24.299 5.106 1.00 0.00 O ATOM 343 CB GLU A 21 -7.364 25.658 7.187 1.00 0.00 C ATOM 344 CG GLU A 21 -6.458 25.470 8.405 1.00 0.00 C ATOM 345 CD GLU A 21 -5.281 26.444 8.314 1.00 0.00 C ATOM 346 OE1 GLU A 21 -5.179 27.126 7.308 1.00 0.00 O ATOM 347 OE2 GLU A 21 -4.499 26.487 9.250 1.00 0.00 O ATOM 0 H GLU A 21 -7.431 23.126 6.255 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.035 24.753 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.793 25.507 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.745 26.679 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.021 25.646 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.093 24.444 8.447 1.00 0.00 H new ATOM 354 N GLY A 22 -10.300 26.003 6.279 1.00 0.00 N ATOM 355 CA GLY A 22 -11.300 26.382 5.236 1.00 0.00 C ATOM 356 C GLY A 22 -10.706 26.269 3.826 1.00 0.00 C ATOM 357 O GLY A 22 -11.428 26.209 2.851 1.00 0.00 O ATOM 0 H GLY A 22 -10.298 26.601 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.175 25.737 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.640 27.403 5.409 1.00 0.00 H new ATOM 361 N ASP A 23 -9.407 26.256 3.697 1.00 0.00 N ATOM 362 CA ASP A 23 -8.801 26.165 2.341 1.00 0.00 C ATOM 363 C ASP A 23 -8.869 24.718 1.836 1.00 0.00 C ATOM 364 O ASP A 23 -7.939 23.951 1.981 1.00 0.00 O ATOM 365 CB ASP A 23 -7.348 26.624 2.434 1.00 0.00 C ATOM 366 CG ASP A 23 -7.315 28.119 2.753 1.00 0.00 C ATOM 367 OD1 ASP A 23 -8.000 28.865 2.073 1.00 0.00 O ATOM 368 OD2 ASP A 23 -6.612 28.492 3.677 1.00 0.00 O ATOM 0 H ASP A 23 -8.743 26.304 4.469 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.346 26.798 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.825 26.063 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.831 26.428 1.495 1.00 0.00 H new ATOM 373 N LYS A 24 -9.978 24.343 1.247 1.00 0.00 N ATOM 374 CA LYS A 24 -10.139 22.947 0.732 1.00 0.00 C ATOM 375 C LYS A 24 -9.760 22.881 -0.756 1.00 0.00 C ATOM 376 O LYS A 24 -9.118 21.952 -1.202 1.00 0.00 O ATOM 377 CB LYS A 24 -11.610 22.541 0.871 1.00 0.00 C ATOM 378 CG LYS A 24 -11.998 22.461 2.353 1.00 0.00 C ATOM 379 CD LYS A 24 -13.521 22.550 2.499 1.00 0.00 C ATOM 380 CE LYS A 24 -14.174 21.333 1.841 1.00 0.00 C ATOM 381 NZ LYS A 24 -15.618 21.283 2.210 1.00 0.00 N ATOM 0 H LYS A 24 -10.785 24.949 1.100 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.492 22.280 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.245 23.265 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.776 21.576 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.637 21.527 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.523 23.271 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.793 22.595 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.887 23.466 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.066 21.390 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.674 20.420 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.062 20.456 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.710 21.209 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.090 22.149 1.882 1.00 0.00 H new ATOM 395 N HIS A 25 -10.177 23.853 -1.533 1.00 0.00 N ATOM 396 CA HIS A 25 -9.870 23.841 -3.001 1.00 0.00 C ATOM 397 C HIS A 25 -8.582 24.619 -3.279 1.00 0.00 C ATOM 398 O HIS A 25 -8.144 24.732 -4.407 1.00 0.00 O ATOM 399 CB HIS A 25 -11.030 24.480 -3.768 1.00 0.00 C ATOM 400 CG HIS A 25 -12.287 23.684 -3.535 1.00 0.00 C ATOM 401 ND1 HIS A 25 -13.552 24.215 -3.753 1.00 0.00 N ATOM 402 CD2 HIS A 25 -12.493 22.398 -3.095 1.00 0.00 C ATOM 403 CE1 HIS A 25 -14.451 23.261 -3.446 1.00 0.00 C ATOM 404 NE2 HIS A 25 -13.857 22.138 -3.041 1.00 0.00 N ATOM 0 H HIS A 25 -10.718 24.656 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.736 22.810 -3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.173 25.510 -3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.801 24.514 -4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.714 21.697 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -15.521 23.389 -3.519 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -14.309 21.270 -2.752 1.00 0.00 H new ATOM 413 N LYS A 26 -7.970 25.148 -2.260 1.00 0.00 N ATOM 414 CA LYS A 26 -6.703 25.916 -2.444 1.00 0.00 C ATOM 415 C LYS A 26 -5.765 25.559 -1.297 1.00 0.00 C ATOM 416 O LYS A 26 -6.195 25.089 -0.264 1.00 0.00 O ATOM 417 CB LYS A 26 -7.014 27.415 -2.446 1.00 0.00 C ATOM 418 CG LYS A 26 -7.704 27.806 -1.133 1.00 0.00 C ATOM 419 CD LYS A 26 -8.352 29.201 -1.263 1.00 0.00 C ATOM 420 CE LYS A 26 -9.769 29.080 -1.841 1.00 0.00 C ATOM 421 NZ LYS A 26 -10.637 28.346 -0.877 1.00 0.00 N ATOM 0 H LYS A 26 -8.295 25.082 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.229 25.666 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.094 27.986 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.656 27.661 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.464 27.067 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.978 27.809 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.391 29.684 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.742 29.834 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.180 30.071 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.741 28.554 -2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.619 28.676 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.593 27.326 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.306 28.523 0.093 1.00 0.00 H new ATOM 435 N LEU A 27 -4.483 25.735 -1.484 1.00 0.00 N ATOM 436 CA LEU A 27 -3.501 25.365 -0.416 1.00 0.00 C ATOM 437 C LEU A 27 -2.659 26.586 -0.042 1.00 0.00 C ATOM 438 O LEU A 27 -1.932 27.108 -0.852 1.00 0.00 O ATOM 439 CB LEU A 27 -2.589 24.257 -0.976 1.00 0.00 C ATOM 440 CG LEU A 27 -1.958 23.448 0.172 1.00 0.00 C ATOM 441 CD1 LEU A 27 -2.927 22.348 0.630 1.00 0.00 C ATOM 442 CD2 LEU A 27 -0.656 22.797 -0.310 1.00 0.00 C ATOM 0 H LEU A 27 -4.070 26.121 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.022 25.016 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.166 23.595 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.805 24.699 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.749 24.120 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.474 21.779 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.855 22.802 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.141 21.681 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.212 22.225 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.870 22.131 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.041 23.571 -0.632 1.00 0.00 H new ATOM 454 N LYS A 28 -2.729 27.040 1.181 1.00 0.00 N ATOM 455 CA LYS A 28 -1.904 28.216 1.577 1.00 0.00 C ATOM 456 C LYS A 28 -0.567 27.711 2.106 1.00 0.00 C ATOM 457 O LYS A 28 -0.492 26.640 2.673 1.00 0.00 O ATOM 458 CB LYS A 28 -2.611 28.990 2.694 1.00 0.00 C ATOM 459 CG LYS A 28 -4.042 29.327 2.270 1.00 0.00 C ATOM 460 CD LYS A 28 -4.603 30.439 3.169 1.00 0.00 C ATOM 461 CE LYS A 28 -4.508 30.032 4.652 1.00 0.00 C ATOM 462 NZ LYS A 28 -3.209 30.504 5.213 1.00 0.00 N ATOM 0 H LYS A 28 -3.317 26.650 1.917 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.758 28.869 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.624 28.396 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.063 29.906 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.056 29.647 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.670 28.439 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.049 31.363 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.642 30.638 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.337 30.463 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.587 28.949 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.366 30.911 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.551 29.702 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.803 31.229 4.587 1.00 0.00 H new ATOM 476 N LYS A 29 0.488 28.473 1.948 1.00 0.00 N ATOM 477 CA LYS A 29 1.815 28.028 2.478 1.00 0.00 C ATOM 478 C LYS A 29 1.623 27.471 3.881 1.00 0.00 C ATOM 479 O LYS A 29 2.430 26.723 4.387 1.00 0.00 O ATOM 480 CB LYS A 29 2.774 29.218 2.559 1.00 0.00 C ATOM 481 CG LYS A 29 2.182 30.315 3.451 1.00 0.00 C ATOM 482 CD LYS A 29 3.141 31.508 3.492 1.00 0.00 C ATOM 483 CE LYS A 29 2.626 32.542 4.497 1.00 0.00 C ATOM 484 NZ LYS A 29 3.544 33.715 4.518 1.00 0.00 N ATOM 0 H LYS A 29 0.488 29.378 1.478 1.00 0.00 H new ATOM 0 HA LYS A 29 2.228 27.269 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.735 28.894 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.961 29.613 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.211 30.628 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.018 29.931 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.140 31.176 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.223 31.957 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.619 32.859 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.563 32.099 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.194 34.417 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.497 33.405 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.583 34.142 3.571 1.00 0.00 H new ATOM 498 N SER A 30 0.555 27.858 4.514 1.00 0.00 N ATOM 499 CA SER A 30 0.294 27.371 5.899 1.00 0.00 C ATOM 500 C SER A 30 -0.074 25.886 5.865 1.00 0.00 C ATOM 501 O SER A 30 0.485 25.087 6.591 1.00 0.00 O ATOM 502 CB SER A 30 -0.854 28.168 6.522 1.00 0.00 C ATOM 503 OG SER A 30 -2.066 27.855 5.849 1.00 0.00 O ATOM 0 H SER A 30 -0.150 28.490 4.135 1.00 0.00 H new ATOM 0 HA SER A 30 1.194 27.507 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.942 27.931 7.582 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.651 29.236 6.450 1.00 0.00 H new ATOM 0 HG SER A 30 -2.822 28.235 6.343 1.00 0.00 H new ATOM 509 N GLU A 31 -0.994 25.499 5.021 1.00 0.00 N ATOM 510 CA GLU A 31 -1.362 24.059 4.951 1.00 0.00 C ATOM 511 C GLU A 31 -0.189 23.278 4.365 1.00 0.00 C ATOM 512 O GLU A 31 0.060 22.147 4.728 1.00 0.00 O ATOM 513 CB GLU A 31 -2.604 23.868 4.081 1.00 0.00 C ATOM 514 CG GLU A 31 -3.837 24.379 4.825 1.00 0.00 C ATOM 515 CD GLU A 31 -5.074 24.183 3.947 1.00 0.00 C ATOM 516 OE1 GLU A 31 -4.907 24.026 2.750 1.00 0.00 O ATOM 517 OE2 GLU A 31 -6.166 24.174 4.488 1.00 0.00 O ATOM 0 H GLU A 31 -1.501 26.113 4.384 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.587 23.693 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.487 24.405 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.728 22.814 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.956 23.843 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.716 25.434 5.072 1.00 0.00 H new ATOM 524 N LEU A 32 0.543 23.880 3.468 1.00 0.00 N ATOM 525 CA LEU A 32 1.710 23.175 2.874 1.00 0.00 C ATOM 526 C LEU A 32 2.680 22.821 3.996 1.00 0.00 C ATOM 527 O LEU A 32 3.233 21.749 4.032 1.00 0.00 O ATOM 528 CB LEU A 32 2.399 24.096 1.862 1.00 0.00 C ATOM 529 CG LEU A 32 3.671 23.432 1.314 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.329 22.073 0.686 1.00 0.00 C ATOM 531 CD2 LEU A 32 4.296 24.350 0.258 1.00 0.00 C ATOM 0 H LEU A 32 0.383 24.826 3.123 1.00 0.00 H new ATOM 0 HA LEU A 32 1.386 22.268 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.717 24.321 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.652 25.044 2.337 1.00 0.00 H new ATOM 0 HG LEU A 32 4.377 23.271 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.238 21.611 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.885 21.425 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.621 22.217 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.200 23.887 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.585 24.508 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.548 25.308 0.712 1.00 0.00 H new ATOM 543 N LYS A 33 2.872 23.718 4.918 1.00 0.00 N ATOM 544 CA LYS A 33 3.787 23.446 6.064 1.00 0.00 C ATOM 545 C LYS A 33 3.252 22.269 6.880 1.00 0.00 C ATOM 546 O LYS A 33 3.996 21.430 7.347 1.00 0.00 O ATOM 547 CB LYS A 33 3.852 24.709 6.934 1.00 0.00 C ATOM 548 CG LYS A 33 4.572 24.434 8.261 1.00 0.00 C ATOM 549 CD LYS A 33 5.949 23.810 8.004 1.00 0.00 C ATOM 550 CE LYS A 33 6.841 24.011 9.232 1.00 0.00 C ATOM 551 NZ LYS A 33 6.149 23.486 10.444 1.00 0.00 N ATOM 0 H LYS A 33 2.431 24.638 4.929 1.00 0.00 H new ATOM 0 HA LYS A 33 4.784 23.191 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.371 25.500 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.843 25.069 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.685 25.363 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.971 23.764 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.843 22.747 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.409 24.268 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.791 23.496 9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.068 25.069 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.766 24.280 10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.372 22.858 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.826 22.953 11.027 1.00 0.00 H new ATOM 565 N GLU A 34 1.969 22.205 7.069 1.00 0.00 N ATOM 566 CA GLU A 34 1.395 21.093 7.874 1.00 0.00 C ATOM 567 C GLU A 34 1.718 19.750 7.227 1.00 0.00 C ATOM 568 O GLU A 34 2.015 18.792 7.899 1.00 0.00 O ATOM 569 CB GLU A 34 -0.120 21.266 7.998 1.00 0.00 C ATOM 570 CG GLU A 34 -0.431 22.464 8.900 1.00 0.00 C ATOM 571 CD GLU A 34 0.000 22.155 10.335 1.00 0.00 C ATOM 572 OE1 GLU A 34 0.150 20.985 10.648 1.00 0.00 O ATOM 573 OE2 GLU A 34 0.176 23.093 11.096 1.00 0.00 O ATOM 0 H GLU A 34 1.291 22.873 6.702 1.00 0.00 H new ATOM 0 HA GLU A 34 1.837 21.116 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.560 21.417 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.566 20.362 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.090 23.350 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.498 22.687 8.870 1.00 0.00 H new ATOM 580 N LEU A 35 1.656 19.659 5.936 1.00 0.00 N ATOM 581 CA LEU A 35 1.975 18.358 5.286 1.00 0.00 C ATOM 582 C LEU A 35 3.476 18.085 5.423 1.00 0.00 C ATOM 583 O LEU A 35 3.898 16.985 5.708 1.00 0.00 O ATOM 584 CB LEU A 35 1.574 18.432 3.798 1.00 0.00 C ATOM 585 CG LEU A 35 2.318 17.357 2.947 1.00 0.00 C ATOM 586 CD1 LEU A 35 1.402 16.832 1.842 1.00 0.00 C ATOM 587 CD2 LEU A 35 3.589 17.947 2.297 1.00 0.00 C ATOM 0 H LEU A 35 1.402 20.418 5.304 1.00 0.00 H new ATOM 0 HA LEU A 35 1.424 17.548 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.497 18.290 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.800 19.425 3.409 1.00 0.00 H new ATOM 0 HG LEU A 35 2.601 16.544 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.933 16.082 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.515 16.382 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.104 17.656 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.088 17.177 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.313 18.777 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.263 18.304 3.075 1.00 0.00 H new ATOM 599 N ILE A 36 4.283 19.073 5.184 1.00 0.00 N ATOM 600 CA ILE A 36 5.753 18.867 5.249 1.00 0.00 C ATOM 601 C ILE A 36 6.249 18.644 6.678 1.00 0.00 C ATOM 602 O ILE A 36 7.117 17.826 6.909 1.00 0.00 O ATOM 603 CB ILE A 36 6.459 20.085 4.651 1.00 0.00 C ATOM 604 CG1 ILE A 36 6.025 20.253 3.189 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.972 19.875 4.723 1.00 0.00 C ATOM 606 CD1 ILE A 36 6.568 21.569 2.626 1.00 0.00 C ATOM 0 H ILE A 36 3.988 20.020 4.945 1.00 0.00 H new ATOM 0 HA ILE A 36 5.985 17.967 4.679 1.00 0.00 H new ATOM 0 HB ILE A 36 6.193 20.981 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.391 19.416 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.937 20.241 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.480 20.741 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.273 19.752 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.243 18.982 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.254 21.678 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.181 22.403 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.657 21.565 2.677 1.00 0.00 H new ATOM 618 N ASN A 37 5.753 19.368 7.642 1.00 0.00 N ATOM 619 CA ASN A 37 6.273 19.172 9.031 1.00 0.00 C ATOM 620 C ASN A 37 5.574 18.010 9.740 1.00 0.00 C ATOM 621 O ASN A 37 6.154 17.352 10.580 1.00 0.00 O ATOM 622 CB ASN A 37 6.059 20.458 9.833 1.00 0.00 C ATOM 623 CG ASN A 37 6.519 20.249 11.277 1.00 0.00 C ATOM 624 OD1 ASN A 37 5.730 20.336 12.197 1.00 0.00 O ATOM 625 ND2 ASN A 37 7.772 19.973 11.516 1.00 0.00 N ATOM 0 H ASN A 37 5.025 20.074 7.537 1.00 0.00 H new ATOM 0 HA ASN A 37 7.335 18.934 8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.616 21.278 9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.006 20.739 9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.089 19.830 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.434 19.900 10.744 1.00 0.00 H new ATOM 632 N ASN A 38 4.324 17.787 9.450 1.00 0.00 N ATOM 633 CA ASN A 38 3.558 16.697 10.155 1.00 0.00 C ATOM 634 C ASN A 38 3.412 15.412 9.328 1.00 0.00 C ATOM 635 O ASN A 38 3.407 14.327 9.875 1.00 0.00 O ATOM 636 CB ASN A 38 2.159 17.216 10.495 1.00 0.00 C ATOM 637 CG ASN A 38 1.500 16.295 11.528 1.00 0.00 C ATOM 638 OD1 ASN A 38 2.174 15.291 12.023 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 0.355 16.487 11.886 1.00 0.00 N flip ATOM 0 H ASN A 38 3.790 18.308 8.755 1.00 0.00 H new ATOM 0 HA ASN A 38 4.128 16.441 11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.223 18.231 10.888 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.549 17.261 9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.175 17.270 11.502 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.076 15.866 12.570 1.00 0.00 H new ATOM 646 N GLU A 39 3.239 15.500 8.037 1.00 0.00 N ATOM 647 CA GLU A 39 3.034 14.245 7.241 1.00 0.00 C ATOM 648 C GLU A 39 4.376 13.646 6.831 1.00 0.00 C ATOM 649 O GLU A 39 4.458 12.488 6.472 1.00 0.00 O ATOM 650 CB GLU A 39 2.209 14.564 5.986 1.00 0.00 C ATOM 651 CG GLU A 39 1.585 13.281 5.434 1.00 0.00 C ATOM 652 CD GLU A 39 0.751 13.614 4.196 1.00 0.00 C ATOM 653 OE1 GLU A 39 -0.426 13.894 4.357 1.00 0.00 O ATOM 654 OE2 GLU A 39 1.301 13.578 3.108 1.00 0.00 O ATOM 0 H GLU A 39 3.230 16.368 7.502 1.00 0.00 H new ATOM 0 HA GLU A 39 2.502 13.521 7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.427 15.284 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.845 15.024 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.366 12.565 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.958 12.812 6.193 1.00 0.00 H new ATOM 661 N LEU A 40 5.429 14.418 6.883 1.00 0.00 N ATOM 662 CA LEU A 40 6.777 13.896 6.499 1.00 0.00 C ATOM 663 C LEU A 40 7.666 13.852 7.737 1.00 0.00 C ATOM 664 O LEU A 40 8.699 14.482 7.784 1.00 0.00 O ATOM 665 CB LEU A 40 7.403 14.823 5.458 1.00 0.00 C ATOM 666 CG LEU A 40 6.403 15.068 4.321 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.055 15.933 3.232 1.00 0.00 C ATOM 668 CD2 LEU A 40 5.955 13.720 3.726 1.00 0.00 C ATOM 0 H LEU A 40 5.415 15.395 7.177 1.00 0.00 H new ATOM 0 HA LEU A 40 6.678 12.894 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.683 15.770 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.317 14.379 5.063 1.00 0.00 H new ATOM 0 HG LEU A 40 5.531 15.592 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.340 16.104 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.356 16.890 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.932 15.420 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.245 13.897 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.823 13.188 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.480 13.120 4.502 1.00 0.00 H new ATOM 680 N SER A 41 7.267 13.127 8.746 1.00 0.00 N ATOM 681 CA SER A 41 8.091 13.067 9.988 1.00 0.00 C ATOM 682 C SER A 41 9.484 12.511 9.673 1.00 0.00 C ATOM 683 O SER A 41 10.475 12.982 10.195 1.00 0.00 O ATOM 684 CB SER A 41 7.403 12.156 11.004 1.00 0.00 C ATOM 685 OG SER A 41 6.192 12.763 11.432 1.00 0.00 O ATOM 0 H SER A 41 6.409 12.575 8.765 1.00 0.00 H new ATOM 0 HA SER A 41 8.193 14.072 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.198 11.183 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.058 11.983 11.858 1.00 0.00 H new ATOM 0 HG SER A 41 5.747 12.181 12.083 1.00 0.00 H new ATOM 691 N HIS A 42 9.575 11.517 8.825 1.00 0.00 N ATOM 692 CA HIS A 42 10.916 10.939 8.478 1.00 0.00 C ATOM 693 C HIS A 42 10.972 10.582 6.989 1.00 0.00 C ATOM 694 O HIS A 42 12.019 10.260 6.461 1.00 0.00 O ATOM 695 CB HIS A 42 11.156 9.674 9.301 1.00 0.00 C ATOM 696 CG HIS A 42 12.501 9.101 8.947 1.00 0.00 C ATOM 697 ND1 HIS A 42 13.684 9.773 9.218 1.00 0.00 N ATOM 698 CD2 HIS A 42 12.867 7.924 8.341 1.00 0.00 C ATOM 699 CE1 HIS A 42 14.697 9.002 8.780 1.00 0.00 C ATOM 700 NE2 HIS A 42 14.251 7.866 8.239 1.00 0.00 N ATOM 0 H HIS A 42 8.781 11.079 8.357 1.00 0.00 H new ATOM 0 HA HIS A 42 11.684 11.680 8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.115 9.905 10.365 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.372 8.943 9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.184 7.161 7.997 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.741 9.269 8.857 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.809 7.114 7.836 1.00 0.00 H new ATOM 709 N PHE A 43 9.861 10.624 6.307 1.00 0.00 N ATOM 710 CA PHE A 43 9.860 10.275 4.861 1.00 0.00 C ATOM 711 C PHE A 43 10.589 11.362 4.060 1.00 0.00 C ATOM 712 O PHE A 43 11.191 11.090 3.040 1.00 0.00 O ATOM 713 CB PHE A 43 8.413 10.128 4.373 1.00 0.00 C ATOM 714 CG PHE A 43 8.405 9.621 2.948 1.00 0.00 C ATOM 715 CD1 PHE A 43 8.920 8.350 2.653 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.892 10.421 1.919 1.00 0.00 C ATOM 717 CE1 PHE A 43 8.921 7.883 1.333 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.897 9.954 0.602 1.00 0.00 C ATOM 719 CZ PHE A 43 8.411 8.685 0.308 1.00 0.00 C ATOM 0 H PHE A 43 8.953 10.886 6.691 1.00 0.00 H new ATOM 0 HA PHE A 43 10.382 9.329 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.870 9.437 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.900 11.088 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.316 7.731 3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.493 11.399 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.316 6.903 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.504 10.573 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.413 8.326 -0.711 1.00 0.00 H new ATOM 729 N LEU A 44 10.555 12.590 4.517 1.00 0.00 N ATOM 730 CA LEU A 44 11.259 13.692 3.791 1.00 0.00 C ATOM 731 C LEU A 44 11.868 14.621 4.839 1.00 0.00 C ATOM 732 O LEU A 44 11.527 14.547 6.003 1.00 0.00 O ATOM 733 CB LEU A 44 10.259 14.474 2.917 1.00 0.00 C ATOM 734 CG LEU A 44 10.994 15.143 1.732 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.118 14.157 0.563 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.215 16.376 1.256 1.00 0.00 C ATOM 0 H LEU A 44 10.067 12.877 5.366 1.00 0.00 H new ATOM 0 HA LEU A 44 12.034 13.285 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.488 13.801 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.756 15.232 3.517 1.00 0.00 H new ATOM 0 HG LEU A 44 11.987 15.442 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.637 14.639 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.682 13.281 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.124 13.850 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.741 16.839 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.218 16.075 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.131 17.091 2.074 1.00 0.00 H new ATOM 748 N GLU A 45 12.765 15.486 4.463 1.00 0.00 N ATOM 749 CA GLU A 45 13.358 16.377 5.491 1.00 0.00 C ATOM 750 C GLU A 45 12.281 17.319 6.033 1.00 0.00 C ATOM 751 O GLU A 45 11.689 18.100 5.319 1.00 0.00 O ATOM 752 CB GLU A 45 14.548 17.168 4.903 1.00 0.00 C ATOM 753 CG GLU A 45 14.094 18.416 4.121 1.00 0.00 C ATOM 754 CD GLU A 45 13.106 18.016 3.023 1.00 0.00 C ATOM 755 OE1 GLU A 45 13.484 17.221 2.179 1.00 0.00 O ATOM 756 OE2 GLU A 45 11.995 18.519 3.036 1.00 0.00 O ATOM 0 H GLU A 45 13.107 15.613 3.510 1.00 0.00 H new ATOM 0 HA GLU A 45 13.740 15.773 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.214 17.471 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.122 16.518 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.627 19.130 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.958 18.913 3.680 1.00 0.00 H new ATOM 763 N GLU A 46 12.020 17.236 7.300 1.00 0.00 N ATOM 764 CA GLU A 46 10.991 18.121 7.909 1.00 0.00 C ATOM 765 C GLU A 46 11.459 19.570 7.869 1.00 0.00 C ATOM 766 O GLU A 46 12.639 19.859 7.893 1.00 0.00 O ATOM 767 CB GLU A 46 10.756 17.731 9.374 1.00 0.00 C ATOM 768 CG GLU A 46 9.810 16.550 9.446 1.00 0.00 C ATOM 769 CD GLU A 46 9.580 16.177 10.911 1.00 0.00 C ATOM 770 OE1 GLU A 46 8.654 16.712 11.499 1.00 0.00 O ATOM 771 OE2 GLU A 46 10.332 15.362 11.419 1.00 0.00 O ATOM 0 H GLU A 46 12.475 16.591 7.946 1.00 0.00 H new ATOM 0 HA GLU A 46 10.067 18.009 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.704 17.479 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.340 18.576 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.862 16.799 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.227 15.701 8.904 1.00 0.00 H new ATOM 778 N ILE A 47 10.526 20.481 7.844 1.00 0.00 N ATOM 779 CA ILE A 47 10.873 21.929 7.843 1.00 0.00 C ATOM 780 C ILE A 47 10.645 22.475 9.254 1.00 0.00 C ATOM 781 O ILE A 47 9.613 22.252 9.854 1.00 0.00 O ATOM 782 CB ILE A 47 9.994 22.665 6.832 1.00 0.00 C ATOM 783 CG1 ILE A 47 10.440 22.268 5.420 1.00 0.00 C ATOM 784 CG2 ILE A 47 10.138 24.174 7.036 1.00 0.00 C ATOM 785 CD1 ILE A 47 9.536 22.925 4.381 1.00 0.00 C ATOM 0 H ILE A 47 9.526 20.281 7.824 1.00 0.00 H new ATOM 0 HA ILE A 47 11.915 22.075 7.558 1.00 0.00 H new ATOM 0 HB ILE A 47 8.947 22.397 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.474 22.572 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 47 10.405 21.184 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.512 24.700 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.826 24.436 8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.179 24.463 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.861 22.637 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.507 22.600 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.593 24.009 4.483 1.00 0.00 H new ATOM 797 N LYS A 48 11.618 23.161 9.797 1.00 0.00 N ATOM 798 CA LYS A 48 11.492 23.699 11.187 1.00 0.00 C ATOM 799 C LYS A 48 11.287 25.216 11.146 1.00 0.00 C ATOM 800 O LYS A 48 10.809 25.803 12.096 1.00 0.00 O ATOM 801 CB LYS A 48 12.785 23.374 11.959 1.00 0.00 C ATOM 802 CG LYS A 48 13.313 21.977 11.572 1.00 0.00 C ATOM 803 CD LYS A 48 12.337 20.881 12.015 1.00 0.00 C ATOM 804 CE LYS A 48 12.710 19.565 11.332 1.00 0.00 C ATOM 805 NZ LYS A 48 14.124 19.216 11.650 1.00 0.00 N ATOM 0 H LYS A 48 12.502 23.374 9.334 1.00 0.00 H new ATOM 0 HA LYS A 48 10.634 23.243 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.543 24.127 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.594 23.412 13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.459 21.925 10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.286 21.811 12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.371 20.764 13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.316 21.161 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.045 18.769 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.581 19.655 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.285 18.207 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.763 19.789 11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.311 19.408 12.655 1.00 0.00 H new ATOM 819 N GLU A 49 11.643 25.856 10.057 1.00 0.00 N ATOM 820 CA GLU A 49 11.472 27.339 9.950 1.00 0.00 C ATOM 821 C GLU A 49 10.535 27.649 8.778 1.00 0.00 C ATOM 822 O GLU A 49 10.608 27.036 7.731 1.00 0.00 O ATOM 823 CB GLU A 49 12.840 27.984 9.717 1.00 0.00 C ATOM 824 CG GLU A 49 12.730 29.502 9.878 1.00 0.00 C ATOM 825 CD GLU A 49 12.493 29.844 11.350 1.00 0.00 C ATOM 826 OE1 GLU A 49 12.789 29.008 12.189 1.00 0.00 O ATOM 827 OE2 GLU A 49 12.018 30.937 11.614 1.00 0.00 O ATOM 0 H GLU A 49 12.047 25.411 9.233 1.00 0.00 H new ATOM 0 HA GLU A 49 11.041 27.738 10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.566 27.585 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.202 27.740 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.642 29.983 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.911 29.884 9.269 1.00 0.00 H new ATOM 834 N GLN A 50 9.645 28.585 8.958 1.00 0.00 N ATOM 835 CA GLN A 50 8.677 28.940 7.875 1.00 0.00 C ATOM 836 C GLN A 50 9.411 29.533 6.671 1.00 0.00 C ATOM 837 O GLN A 50 8.899 29.535 5.574 1.00 0.00 O ATOM 838 CB GLN A 50 7.688 29.977 8.407 1.00 0.00 C ATOM 839 CG GLN A 50 6.866 29.371 9.546 1.00 0.00 C ATOM 840 CD GLN A 50 5.913 28.304 9.000 1.00 0.00 C ATOM 841 OE1 GLN A 50 5.588 27.358 9.690 1.00 0.00 O ATOM 842 NE2 GLN A 50 5.438 28.418 7.790 1.00 0.00 N ATOM 0 H GLN A 50 9.544 29.126 9.817 1.00 0.00 H new ATOM 0 HA GLN A 50 8.153 28.036 7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.225 30.857 8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.028 30.308 7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.530 28.930 10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.298 30.153 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.709 29.211 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.796 27.714 7.426 1.00 0.00 H new ATOM 851 N GLU A 51 10.590 30.056 6.867 1.00 0.00 N ATOM 852 CA GLU A 51 11.336 30.672 5.727 1.00 0.00 C ATOM 853 C GLU A 51 11.581 29.630 4.642 1.00 0.00 C ATOM 854 O GLU A 51 11.508 29.927 3.471 1.00 0.00 O ATOM 855 CB GLU A 51 12.674 31.233 6.234 1.00 0.00 C ATOM 856 CG GLU A 51 13.651 30.082 6.562 1.00 0.00 C ATOM 857 CD GLU A 51 14.492 29.723 5.328 1.00 0.00 C ATOM 858 OE1 GLU A 51 14.088 30.070 4.231 1.00 0.00 O ATOM 859 OE2 GLU A 51 15.536 29.118 5.507 1.00 0.00 O ATOM 0 H GLU A 51 11.071 30.085 7.766 1.00 0.00 H new ATOM 0 HA GLU A 51 10.744 31.484 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.112 31.886 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.507 31.841 7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.306 30.375 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.093 29.207 6.896 1.00 0.00 H new ATOM 866 N VAL A 52 11.866 28.415 5.010 1.00 0.00 N ATOM 867 CA VAL A 52 12.100 27.377 3.974 1.00 0.00 C ATOM 868 C VAL A 52 10.838 27.261 3.146 1.00 0.00 C ATOM 869 O VAL A 52 10.883 27.109 1.950 1.00 0.00 O ATOM 870 CB VAL A 52 12.408 26.033 4.635 1.00 0.00 C ATOM 871 CG1 VAL A 52 12.608 24.965 3.557 1.00 0.00 C ATOM 872 CG2 VAL A 52 13.678 26.158 5.478 1.00 0.00 C ATOM 0 H VAL A 52 11.947 28.098 5.976 1.00 0.00 H new ATOM 0 HA VAL A 52 12.948 27.653 3.348 1.00 0.00 H new ATOM 0 HB VAL A 52 11.575 25.745 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.827 24.008 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.700 24.876 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.439 25.250 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.898 25.200 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.512 26.448 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.531 26.916 6.248 1.00 0.00 H new ATOM 882 N VAL A 53 9.713 27.330 3.786 1.00 0.00 N ATOM 883 CA VAL A 53 8.427 27.232 3.056 1.00 0.00 C ATOM 884 C VAL A 53 8.272 28.423 2.119 1.00 0.00 C ATOM 885 O VAL A 53 7.721 28.300 1.053 1.00 0.00 O ATOM 886 CB VAL A 53 7.284 27.227 4.060 1.00 0.00 C ATOM 887 CG1 VAL A 53 5.973 26.918 3.347 1.00 0.00 C ATOM 888 CG2 VAL A 53 7.547 26.163 5.111 1.00 0.00 C ATOM 0 H VAL A 53 9.628 27.451 4.795 1.00 0.00 H new ATOM 0 HA VAL A 53 8.411 26.312 2.471 1.00 0.00 H new ATOM 0 HB VAL A 53 7.214 28.206 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.157 26.915 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.783 27.678 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.039 25.939 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.731 26.155 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.616 25.187 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.483 26.382 5.624 1.00 0.00 H new ATOM 898 N ASP A 54 8.732 29.577 2.518 1.00 0.00 N ATOM 899 CA ASP A 54 8.601 30.780 1.648 1.00 0.00 C ATOM 900 C ASP A 54 9.419 30.571 0.376 1.00 0.00 C ATOM 901 O ASP A 54 9.029 30.941 -0.712 1.00 0.00 O ATOM 902 CB ASP A 54 9.119 32.016 2.388 1.00 0.00 C ATOM 903 CG ASP A 54 8.160 32.376 3.523 1.00 0.00 C ATOM 904 OD1 ASP A 54 7.023 31.938 3.474 1.00 0.00 O ATOM 905 OD2 ASP A 54 8.581 33.082 4.426 1.00 0.00 O ATOM 0 H ASP A 54 9.195 29.739 3.412 1.00 0.00 H new ATOM 0 HA ASP A 54 7.552 30.929 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.114 31.822 2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.211 32.854 1.697 1.00 0.00 H new ATOM 910 N LYS A 55 10.558 29.979 0.517 1.00 0.00 N ATOM 911 CA LYS A 55 11.427 29.723 -0.660 1.00 0.00 C ATOM 912 C LYS A 55 10.728 28.698 -1.545 1.00 0.00 C ATOM 913 O LYS A 55 10.712 28.792 -2.759 1.00 0.00 O ATOM 914 CB LYS A 55 12.779 29.188 -0.183 1.00 0.00 C ATOM 915 CG LYS A 55 13.718 29.024 -1.378 1.00 0.00 C ATOM 916 CD LYS A 55 15.133 28.726 -0.878 1.00 0.00 C ATOM 917 CE LYS A 55 16.007 28.292 -2.054 1.00 0.00 C ATOM 918 NZ LYS A 55 17.431 28.222 -1.620 1.00 0.00 N ATOM 0 H LYS A 55 10.934 29.655 1.408 1.00 0.00 H new ATOM 0 HA LYS A 55 11.600 30.639 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.216 29.873 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.645 28.231 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.370 28.215 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.718 29.932 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.557 29.611 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.106 27.941 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.681 27.320 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.902 28.998 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.024 27.927 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.739 29.158 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.525 27.532 -0.847 1.00 0.00 H new ATOM 932 N VAL A 56 10.125 27.729 -0.923 1.00 0.00 N ATOM 933 CA VAL A 56 9.387 26.688 -1.677 1.00 0.00 C ATOM 934 C VAL A 56 8.197 27.357 -2.352 1.00 0.00 C ATOM 935 O VAL A 56 7.743 26.944 -3.401 1.00 0.00 O ATOM 936 CB VAL A 56 8.912 25.601 -0.706 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.953 24.642 -1.412 1.00 0.00 C ATOM 938 CG2 VAL A 56 10.120 24.811 -0.204 1.00 0.00 C ATOM 0 H VAL A 56 10.113 27.614 0.090 1.00 0.00 H new ATOM 0 HA VAL A 56 10.025 26.223 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 56 8.397 26.075 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.624 23.875 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.088 25.196 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.463 24.170 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.787 24.037 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.629 24.348 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.807 25.484 0.309 1.00 0.00 H new ATOM 948 N MET A 57 7.698 28.407 -1.756 1.00 0.00 N ATOM 949 CA MET A 57 6.546 29.127 -2.361 1.00 0.00 C ATOM 950 C MET A 57 7.029 29.805 -3.640 1.00 0.00 C ATOM 951 O MET A 57 6.306 29.927 -4.593 1.00 0.00 O ATOM 952 CB MET A 57 5.987 30.183 -1.377 1.00 0.00 C ATOM 953 CG MET A 57 4.834 29.614 -0.495 1.00 0.00 C ATOM 954 SD MET A 57 3.315 30.574 -0.824 1.00 0.00 S ATOM 955 CE MET A 57 2.117 29.241 -1.121 1.00 0.00 C ATOM 0 H MET A 57 8.040 28.795 -0.877 1.00 0.00 H new ATOM 0 HA MET A 57 5.745 28.422 -2.585 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.792 30.540 -0.734 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.622 31.043 -1.938 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.671 28.560 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.099 29.677 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.786 29.274 -2.159 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.587 28.278 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.259 29.370 -0.462 1.00 0.00 H new ATOM 965 N GLU A 58 8.250 30.237 -3.689 1.00 0.00 N ATOM 966 CA GLU A 58 8.717 30.885 -4.938 1.00 0.00 C ATOM 967 C GLU A 58 8.539 29.871 -6.064 1.00 0.00 C ATOM 968 O GLU A 58 8.132 30.198 -7.161 1.00 0.00 O ATOM 969 CB GLU A 58 10.195 31.258 -4.805 1.00 0.00 C ATOM 970 CG GLU A 58 10.663 31.967 -6.078 1.00 0.00 C ATOM 971 CD GLU A 58 12.141 32.339 -5.944 1.00 0.00 C ATOM 972 OE1 GLU A 58 12.664 32.224 -4.847 1.00 0.00 O ATOM 973 OE2 GLU A 58 12.722 32.743 -6.938 1.00 0.00 O ATOM 0 H GLU A 58 8.934 30.173 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 58 8.151 31.794 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.340 31.907 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.792 30.362 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.518 31.319 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.066 32.863 -6.248 1.00 0.00 H new ATOM 980 N THR A 59 8.836 28.637 -5.783 1.00 0.00 N ATOM 981 CA THR A 59 8.689 27.572 -6.808 1.00 0.00 C ATOM 982 C THR A 59 7.218 27.162 -6.981 1.00 0.00 C ATOM 983 O THR A 59 6.739 27.013 -8.086 1.00 0.00 O ATOM 984 CB THR A 59 9.505 26.357 -6.363 1.00 0.00 C ATOM 985 OG1 THR A 59 10.867 26.735 -6.213 1.00 0.00 O ATOM 986 CG2 THR A 59 9.401 25.237 -7.398 1.00 0.00 C ATOM 0 H THR A 59 9.178 28.317 -4.877 1.00 0.00 H new ATOM 0 HA THR A 59 9.047 27.951 -7.765 1.00 0.00 H new ATOM 0 HB THR A 59 9.112 25.996 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.392 25.959 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.987 24.380 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.358 24.942 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.784 25.590 -8.356 1.00 0.00 H new ATOM 994 N LEU A 60 6.507 26.940 -5.903 1.00 0.00 N ATOM 995 CA LEU A 60 5.081 26.494 -6.021 1.00 0.00 C ATOM 996 C LEU A 60 4.121 27.681 -6.083 1.00 0.00 C ATOM 997 O LEU A 60 2.980 27.531 -6.471 1.00 0.00 O ATOM 998 CB LEU A 60 4.730 25.605 -4.816 1.00 0.00 C ATOM 999 CG LEU A 60 5.272 24.180 -5.052 1.00 0.00 C ATOM 1000 CD1 LEU A 60 5.207 23.364 -3.747 1.00 0.00 C ATOM 1001 CD2 LEU A 60 4.447 23.472 -6.166 1.00 0.00 C ATOM 0 H LEU A 60 6.850 27.048 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 60 4.974 25.933 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.159 26.023 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.650 25.576 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 60 6.312 24.249 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.592 22.360 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.810 23.853 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.173 23.301 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.838 22.467 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.402 23.411 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.523 24.041 -7.092 1.00 0.00 H new ATOM 1013 N ASP A 61 4.550 28.858 -5.729 1.00 0.00 N ATOM 1014 CA ASP A 61 3.611 30.016 -5.811 1.00 0.00 C ATOM 1015 C ASP A 61 3.607 30.492 -7.252 1.00 0.00 C ATOM 1016 O ASP A 61 3.947 31.617 -7.560 1.00 0.00 O ATOM 1017 CB ASP A 61 4.040 31.159 -4.886 1.00 0.00 C ATOM 1018 CG ASP A 61 2.890 32.162 -4.768 1.00 0.00 C ATOM 1019 OD1 ASP A 61 1.899 31.981 -5.460 1.00 0.00 O ATOM 1020 OD2 ASP A 61 3.019 33.096 -3.992 1.00 0.00 O ATOM 0 H ASP A 61 5.489 29.070 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 61 2.617 29.704 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.302 30.769 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.929 31.650 -5.282 1.00 0.00 H new ATOM 1025 N GLU A 62 3.238 29.620 -8.137 1.00 0.00 N ATOM 1026 CA GLU A 62 3.218 29.973 -9.576 1.00 0.00 C ATOM 1027 C GLU A 62 2.276 31.157 -9.780 1.00 0.00 C ATOM 1028 O GLU A 62 2.529 32.038 -10.578 1.00 0.00 O ATOM 1029 CB GLU A 62 2.708 28.773 -10.368 1.00 0.00 C ATOM 1030 CG GLU A 62 3.506 27.524 -9.975 1.00 0.00 C ATOM 1031 CD GLU A 62 3.012 26.335 -10.799 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.003 26.484 -11.468 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.655 25.300 -10.755 1.00 0.00 O ATOM 0 H GLU A 62 2.946 28.666 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 62 4.219 30.239 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.648 28.617 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.808 28.960 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.569 27.687 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.386 27.320 -8.911 1.00 0.00 H new ATOM 1040 N ASP A 63 1.196 31.190 -9.055 1.00 0.00 N ATOM 1041 CA ASP A 63 0.242 32.321 -9.193 1.00 0.00 C ATOM 1042 C ASP A 63 0.815 33.535 -8.462 1.00 0.00 C ATOM 1043 O ASP A 63 0.319 34.638 -8.579 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.097 31.933 -8.566 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.655 30.703 -9.281 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.493 30.620 -10.488 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.230 29.864 -8.609 1.00 0.00 O ATOM 0 H ASP A 63 0.932 30.481 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 63 0.091 32.558 -10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.967 31.722 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.801 32.762 -8.642 1.00 0.00 H new ATOM 1052 N GLY A 64 1.865 33.335 -7.711 1.00 0.00 N ATOM 1053 CA GLY A 64 2.484 34.476 -6.973 1.00 0.00 C ATOM 1054 C GLY A 64 1.459 35.079 -6.009 1.00 0.00 C ATOM 1055 O GLY A 64 1.488 36.260 -5.722 1.00 0.00 O ATOM 0 H GLY A 64 2.321 32.433 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.360 34.134 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.827 35.235 -7.677 1.00 0.00 H new ATOM 1059 N ASP A 65 0.545 34.278 -5.514 1.00 0.00 N ATOM 1060 CA ASP A 65 -0.498 34.794 -4.572 1.00 0.00 C ATOM 1061 C ASP A 65 -0.212 34.305 -3.151 1.00 0.00 C ATOM 1062 O ASP A 65 -1.021 34.465 -2.259 1.00 0.00 O ATOM 1063 CB ASP A 65 -1.868 34.286 -5.026 1.00 0.00 C ATOM 1064 CG ASP A 65 -1.872 32.757 -5.027 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -0.798 32.182 -4.957 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.947 32.186 -5.105 1.00 0.00 O ATOM 0 H ASP A 65 0.477 33.282 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.485 35.884 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.645 34.662 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.094 34.661 -6.024 1.00 0.00 H new ATOM 1071 N GLY A 66 0.922 33.700 -2.931 1.00 0.00 N ATOM 1072 CA GLY A 66 1.236 33.196 -1.564 1.00 0.00 C ATOM 1073 C GLY A 66 0.344 31.986 -1.274 1.00 0.00 C ATOM 1074 O GLY A 66 0.131 31.603 -0.141 1.00 0.00 O ATOM 0 H GLY A 66 1.642 33.533 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.287 32.916 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.066 33.978 -0.824 1.00 0.00 H new ATOM 1078 N GLU A 67 -0.188 31.402 -2.309 1.00 0.00 N ATOM 1079 CA GLU A 67 -1.089 30.228 -2.167 1.00 0.00 C ATOM 1080 C GLU A 67 -0.950 29.354 -3.424 1.00 0.00 C ATOM 1081 O GLU A 67 -1.108 29.825 -4.533 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.524 30.747 -2.042 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.501 29.585 -1.890 1.00 0.00 C ATOM 1084 CD GLU A 67 -4.917 30.142 -1.761 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -5.249 31.046 -2.510 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -5.642 29.665 -0.906 1.00 0.00 O ATOM 0 H GLU A 67 -0.031 31.698 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.834 29.636 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.603 31.411 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.783 31.334 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.434 28.921 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.248 28.992 -1.011 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.657 28.089 -3.264 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.508 27.181 -4.444 1.00 0.00 C ATOM 1095 C CYS A 68 -1.809 26.401 -4.622 1.00 0.00 C ATOM 1096 O CYS A 68 -2.338 25.830 -3.691 1.00 0.00 O ATOM 1097 CB CYS A 68 0.676 26.221 -4.204 1.00 0.00 C ATOM 1098 SG CYS A 68 0.927 26.000 -2.426 1.00 0.00 S ATOM 0 H CYS A 68 -0.513 27.641 -2.359 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.307 27.756 -5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.478 25.259 -4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.580 26.621 -4.662 1.00 0.00 H new ATOM 0 HG CYS A 68 1.923 25.189 -2.226 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.328 26.385 -5.814 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.597 25.659 -6.067 1.00 0.00 C ATOM 1106 C ASP A 69 -3.352 24.155 -5.991 1.00 0.00 C ATOM 1107 O ASP A 69 -2.236 23.689 -6.116 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.120 26.033 -7.455 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.616 27.480 -7.437 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -5.009 27.938 -6.377 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.594 28.106 -8.484 1.00 0.00 O ATOM 0 H ASP A 69 -1.924 26.847 -6.629 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.335 25.935 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.330 25.917 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.930 25.363 -7.744 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.389 23.391 -5.788 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.237 21.922 -5.701 1.00 0.00 C ATOM 1118 C PHE A 70 -3.351 21.437 -6.853 1.00 0.00 C ATOM 1119 O PHE A 70 -2.525 20.573 -6.681 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.640 21.298 -5.782 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.571 19.843 -6.190 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -4.632 18.990 -5.604 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.459 19.348 -7.153 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -4.580 17.645 -5.981 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.406 18.006 -7.530 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.467 17.151 -6.945 1.00 0.00 C ATOM 0 H PHE A 70 -5.344 23.731 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.763 21.628 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.135 21.384 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.246 21.851 -6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.947 19.370 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.186 20.006 -7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.854 16.986 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.091 17.627 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.426 16.112 -7.236 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.515 21.988 -8.021 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.675 21.550 -9.170 1.00 0.00 C ATOM 1138 C GLN A 71 -1.211 21.966 -8.951 1.00 0.00 C ATOM 1139 O GLN A 71 -0.301 21.223 -9.262 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.206 22.174 -10.465 1.00 0.00 C ATOM 1141 CG GLN A 71 -3.089 23.697 -10.397 1.00 0.00 C ATOM 1142 CD GLN A 71 -3.754 24.315 -11.627 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -4.811 23.884 -12.043 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -3.171 25.312 -12.234 1.00 0.00 N ATOM 0 H GLN A 71 -4.192 22.721 -8.231 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.721 20.464 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.643 21.795 -11.318 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.247 21.887 -10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.563 24.069 -9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.040 23.990 -10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.284 25.673 -11.884 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.603 25.730 -13.058 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.965 23.145 -8.430 1.00 0.00 N ATOM 1154 CA GLU A 72 0.448 23.578 -8.219 1.00 0.00 C ATOM 1155 C GLU A 72 1.144 22.655 -7.218 1.00 0.00 C ATOM 1156 O GLU A 72 2.283 22.260 -7.399 1.00 0.00 O ATOM 1157 CB GLU A 72 0.468 25.008 -7.675 1.00 0.00 C ATOM 1158 CG GLU A 72 0.026 25.993 -8.758 1.00 0.00 C ATOM 1159 CD GLU A 72 0.046 27.410 -8.181 1.00 0.00 C ATOM 1160 OE1 GLU A 72 1.131 27.930 -7.975 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -1.022 27.949 -7.950 1.00 0.00 O ATOM 0 H GLU A 72 -1.676 23.819 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 72 0.973 23.533 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.193 25.085 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.471 25.260 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.690 25.928 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.976 25.743 -9.108 1.00 0.00 H new ATOM 1168 N PHE A 73 0.466 22.299 -6.170 1.00 0.00 N ATOM 1169 CA PHE A 73 1.084 21.397 -5.164 1.00 0.00 C ATOM 1170 C PHE A 73 1.308 20.027 -5.793 1.00 0.00 C ATOM 1171 O PHE A 73 2.274 19.354 -5.510 1.00 0.00 O ATOM 1172 CB PHE A 73 0.165 21.267 -3.945 1.00 0.00 C ATOM 1173 CG PHE A 73 0.676 20.156 -3.057 1.00 0.00 C ATOM 1174 CD1 PHE A 73 1.672 20.411 -2.110 1.00 0.00 C ATOM 1175 CD2 PHE A 73 0.159 18.865 -3.202 1.00 0.00 C ATOM 1176 CE1 PHE A 73 2.152 19.371 -1.306 1.00 0.00 C ATOM 1177 CE2 PHE A 73 0.635 17.825 -2.397 1.00 0.00 C ATOM 1178 CZ PHE A 73 1.633 18.078 -1.450 1.00 0.00 C ATOM 0 H PHE A 73 -0.489 22.592 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 73 2.039 21.811 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.137 22.207 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.855 21.054 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.070 21.409 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.609 18.671 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.923 19.565 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.233 16.829 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.004 17.276 -0.829 1.00 0.00 H new ATOM 1188 N MET A 74 0.404 19.617 -6.629 1.00 0.00 N ATOM 1189 CA MET A 74 0.513 18.285 -7.279 1.00 0.00 C ATOM 1190 C MET A 74 1.800 18.191 -8.100 1.00 0.00 C ATOM 1191 O MET A 74 2.438 17.156 -8.158 1.00 0.00 O ATOM 1192 CB MET A 74 -0.706 18.063 -8.184 1.00 0.00 C ATOM 1193 CG MET A 74 -1.912 17.650 -7.331 1.00 0.00 C ATOM 1194 SD MET A 74 -1.653 15.976 -6.686 1.00 0.00 S ATOM 1195 CE MET A 74 -1.735 15.090 -8.263 1.00 0.00 C ATOM 0 H MET A 74 -0.420 20.156 -6.895 1.00 0.00 H new ATOM 0 HA MET A 74 0.542 17.514 -6.509 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.933 18.975 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.488 17.291 -8.922 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.046 18.352 -6.508 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.822 17.684 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.108 14.080 -8.094 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.406 15.616 -8.941 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.740 15.040 -8.704 1.00 0.00 H new ATOM 1205 N ALA A 75 2.174 19.240 -8.767 1.00 0.00 N ATOM 1206 CA ALA A 75 3.402 19.163 -9.603 1.00 0.00 C ATOM 1207 C ALA A 75 4.660 19.017 -8.737 1.00 0.00 C ATOM 1208 O ALA A 75 5.635 18.411 -9.147 1.00 0.00 O ATOM 1209 CB ALA A 75 3.505 20.412 -10.486 1.00 0.00 C ATOM 0 H ALA A 75 1.691 20.139 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 75 3.331 18.278 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.406 20.352 -11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.630 20.473 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.552 21.300 -9.856 1.00 0.00 H new ATOM 1215 N PHE A 76 4.664 19.554 -7.551 1.00 0.00 N ATOM 1216 CA PHE A 76 5.883 19.424 -6.693 1.00 0.00 C ATOM 1217 C PHE A 76 6.034 17.973 -6.234 1.00 0.00 C ATOM 1218 O PHE A 76 7.099 17.538 -5.850 1.00 0.00 O ATOM 1219 CB PHE A 76 5.765 20.367 -5.489 1.00 0.00 C ATOM 1220 CG PHE A 76 6.788 20.025 -4.426 1.00 0.00 C ATOM 1221 CD1 PHE A 76 8.144 20.302 -4.644 1.00 0.00 C ATOM 1222 CD2 PHE A 76 6.378 19.451 -3.215 1.00 0.00 C ATOM 1223 CE1 PHE A 76 9.088 20.004 -3.655 1.00 0.00 C ATOM 1224 CE2 PHE A 76 7.322 19.152 -2.226 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.677 19.429 -2.446 1.00 0.00 C ATOM 0 H PHE A 76 3.889 20.072 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 76 6.769 19.700 -7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.906 21.398 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.762 20.300 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.461 20.746 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.333 19.239 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.133 20.217 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.006 18.708 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.406 19.199 -1.683 1.00 0.00 H new ATOM 1235 N VAL A 77 4.977 17.225 -6.275 1.00 0.00 N ATOM 1236 CA VAL A 77 5.045 15.799 -5.847 1.00 0.00 C ATOM 1237 C VAL A 77 5.747 14.984 -6.930 1.00 0.00 C ATOM 1238 O VAL A 77 6.478 14.059 -6.651 1.00 0.00 O ATOM 1239 CB VAL A 77 3.619 15.267 -5.631 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.621 14.098 -4.642 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.762 16.398 -5.083 1.00 0.00 C ATOM 0 H VAL A 77 4.058 17.538 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 77 5.604 15.715 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 77 3.218 14.910 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.602 13.737 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.242 13.292 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.021 14.432 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.745 16.039 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.178 16.744 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.748 17.222 -5.796 1.00 0.00 H new ATOM 1251 N SER A 78 5.515 15.316 -8.167 1.00 0.00 N ATOM 1252 CA SER A 78 6.161 14.553 -9.272 1.00 0.00 C ATOM 1253 C SER A 78 7.685 14.688 -9.191 1.00 0.00 C ATOM 1254 O SER A 78 8.412 13.727 -9.347 1.00 0.00 O ATOM 1255 CB SER A 78 5.670 15.100 -10.616 1.00 0.00 C ATOM 1256 OG SER A 78 4.411 14.520 -10.926 1.00 0.00 O ATOM 0 H SER A 78 4.908 16.081 -8.462 1.00 0.00 H new ATOM 0 HA SER A 78 5.896 13.500 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.582 16.185 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.392 14.872 -11.400 1.00 0.00 H new ATOM 0 HG SER A 78 4.313 14.452 -11.899 1.00 0.00 H new ATOM 1262 N MET A 79 8.175 15.876 -8.977 1.00 0.00 N ATOM 1263 CA MET A 79 9.655 16.068 -8.918 1.00 0.00 C ATOM 1264 C MET A 79 10.253 15.446 -7.644 1.00 0.00 C ATOM 1265 O MET A 79 11.313 14.845 -7.678 1.00 0.00 O ATOM 1266 CB MET A 79 9.976 17.570 -8.993 1.00 0.00 C ATOM 1267 CG MET A 79 9.192 18.339 -7.923 1.00 0.00 C ATOM 1268 SD MET A 79 9.157 20.097 -8.356 1.00 0.00 S ATOM 1269 CE MET A 79 10.702 20.578 -7.551 1.00 0.00 C ATOM 0 H MET A 79 7.620 16.721 -8.841 1.00 0.00 H new ATOM 0 HA MET A 79 10.107 15.558 -9.768 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.045 17.727 -8.852 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.725 17.953 -9.982 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.176 17.950 -7.850 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.657 18.202 -6.947 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.786 21.665 -7.544 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.709 20.207 -6.526 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.544 20.153 -8.097 1.00 0.00 H new ATOM 1279 N VAL A 80 9.594 15.573 -6.525 1.00 0.00 N ATOM 1280 CA VAL A 80 10.149 14.980 -5.269 1.00 0.00 C ATOM 1281 C VAL A 80 10.302 13.473 -5.445 1.00 0.00 C ATOM 1282 O VAL A 80 11.263 12.873 -5.004 1.00 0.00 O ATOM 1283 CB VAL A 80 9.205 15.261 -4.098 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.707 14.536 -2.842 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.152 16.768 -3.827 1.00 0.00 C ATOM 0 H VAL A 80 8.702 16.057 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 80 11.121 15.427 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 80 8.207 14.902 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.032 14.739 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.739 13.463 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.707 14.891 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.479 16.964 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.151 17.129 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.789 17.285 -4.715 1.00 0.00 H new ATOM 1295 N THR A 81 9.353 12.861 -6.079 1.00 0.00 N ATOM 1296 CA THR A 81 9.417 11.393 -6.285 1.00 0.00 C ATOM 1297 C THR A 81 10.673 11.071 -7.077 1.00 0.00 C ATOM 1298 O THR A 81 11.354 10.097 -6.828 1.00 0.00 O ATOM 1299 CB THR A 81 8.195 10.938 -7.075 1.00 0.00 C ATOM 1300 OG1 THR A 81 7.025 11.267 -6.351 1.00 0.00 O ATOM 1301 CG2 THR A 81 8.252 9.424 -7.304 1.00 0.00 C ATOM 0 H THR A 81 8.527 13.316 -6.468 1.00 0.00 H new ATOM 0 HA THR A 81 9.436 10.881 -5.323 1.00 0.00 H new ATOM 0 HB THR A 81 8.182 11.440 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.836 12.223 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.375 9.108 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.153 9.174 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.268 8.911 -6.342 1.00 0.00 H new ATOM 1309 N THR A 82 10.976 11.888 -8.037 1.00 0.00 N ATOM 1310 CA THR A 82 12.182 11.650 -8.865 1.00 0.00 C ATOM 1311 C THR A 82 13.374 11.405 -7.936 1.00 0.00 C ATOM 1312 O THR A 82 14.246 10.604 -8.218 1.00 0.00 O ATOM 1313 CB THR A 82 12.434 12.886 -9.733 1.00 0.00 C ATOM 1314 OG1 THR A 82 11.198 13.337 -10.272 1.00 0.00 O ATOM 1315 CG2 THR A 82 13.373 12.528 -10.880 1.00 0.00 C ATOM 0 H THR A 82 10.436 12.717 -8.286 1.00 0.00 H new ATOM 0 HA THR A 82 12.043 10.781 -9.509 1.00 0.00 H new ATOM 0 HB THR A 82 12.886 13.669 -9.123 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.353 14.129 -10.827 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.549 13.411 -11.495 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.321 12.172 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.921 11.746 -11.490 1.00 0.00 H new ATOM 1323 N ALA A 83 13.398 12.064 -6.811 1.00 0.00 N ATOM 1324 CA ALA A 83 14.512 11.840 -5.848 1.00 0.00 C ATOM 1325 C ALA A 83 14.419 10.407 -5.319 1.00 0.00 C ATOM 1326 O ALA A 83 15.415 9.739 -5.120 1.00 0.00 O ATOM 1327 CB ALA A 83 14.404 12.830 -4.686 1.00 0.00 C ATOM 0 H ALA A 83 12.698 12.745 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 83 15.469 11.991 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.222 12.660 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.460 13.849 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.453 12.687 -4.174 1.00 0.00 H new ATOM 1333 N CYS A 84 13.223 9.933 -5.091 1.00 0.00 N ATOM 1334 CA CYS A 84 13.053 8.545 -4.576 1.00 0.00 C ATOM 1335 C CYS A 84 13.662 7.561 -5.575 1.00 0.00 C ATOM 1336 O CYS A 84 14.207 6.546 -5.198 1.00 0.00 O ATOM 1337 CB CYS A 84 11.566 8.233 -4.406 1.00 0.00 C ATOM 1338 SG CYS A 84 10.817 9.452 -3.298 1.00 0.00 S ATOM 0 H CYS A 84 12.356 10.449 -5.240 1.00 0.00 H new ATOM 0 HA CYS A 84 13.553 8.454 -3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.067 8.251 -5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.438 7.230 -4.000 1.00 0.00 H new ATOM 0 HG CYS A 84 9.552 9.189 -3.155 1.00 0.00 H new ATOM 1344 N HIS A 85 13.585 7.851 -6.846 1.00 0.00 N ATOM 1345 CA HIS A 85 14.174 6.919 -7.847 1.00 0.00 C ATOM 1346 C HIS A 85 15.666 6.788 -7.562 1.00 0.00 C ATOM 1347 O HIS A 85 16.232 5.714 -7.623 1.00 0.00 O ATOM 1348 CB HIS A 85 13.966 7.488 -9.254 1.00 0.00 C ATOM 1349 CG HIS A 85 14.558 6.556 -10.277 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.391 7.009 -11.291 1.00 0.00 N ATOM 1351 CD2 HIS A 85 14.446 5.198 -10.462 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.743 5.944 -12.034 1.00 0.00 C ATOM 1353 NE2 HIS A 85 15.196 4.820 -11.571 1.00 0.00 N ATOM 0 H HIS A 85 13.143 8.686 -7.231 1.00 0.00 H new ATOM 0 HA HIS A 85 13.695 5.942 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.902 7.625 -9.447 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.433 8.470 -9.331 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.866 4.529 -9.843 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.389 5.994 -12.898 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.305 3.879 -11.950 1.00 0.00 H new ATOM 1362 N GLU A 86 16.303 7.872 -7.223 1.00 0.00 N ATOM 1363 CA GLU A 86 17.752 7.810 -6.903 1.00 0.00 C ATOM 1364 C GLU A 86 17.961 6.863 -5.717 1.00 0.00 C ATOM 1365 O GLU A 86 18.904 6.099 -5.674 1.00 0.00 O ATOM 1366 CB GLU A 86 18.259 9.212 -6.547 1.00 0.00 C ATOM 1367 CG GLU A 86 19.765 9.161 -6.277 1.00 0.00 C ATOM 1368 CD GLU A 86 20.271 10.564 -5.938 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.512 11.503 -6.112 1.00 0.00 O ATOM 1370 OE2 GLU A 86 21.410 10.677 -5.514 1.00 0.00 O ATOM 0 H GLU A 86 15.882 8.798 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 86 18.307 7.441 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.049 9.904 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.734 9.587 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.975 8.479 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.289 8.775 -7.152 1.00 0.00 H new ATOM 1377 N PHE A 87 17.084 6.919 -4.748 1.00 0.00 N ATOM 1378 CA PHE A 87 17.217 6.038 -3.551 1.00 0.00 C ATOM 1379 C PHE A 87 16.558 4.687 -3.831 1.00 0.00 C ATOM 1380 O PHE A 87 16.905 3.683 -3.240 1.00 0.00 O ATOM 1381 CB PHE A 87 16.526 6.694 -2.354 1.00 0.00 C ATOM 1382 CG PHE A 87 16.785 5.871 -1.115 1.00 0.00 C ATOM 1383 CD1 PHE A 87 15.916 4.827 -0.776 1.00 0.00 C ATOM 1384 CD2 PHE A 87 17.894 6.149 -0.306 1.00 0.00 C ATOM 1385 CE1 PHE A 87 16.156 4.061 0.370 1.00 0.00 C ATOM 1386 CE2 PHE A 87 18.133 5.383 0.842 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.265 4.338 1.179 1.00 0.00 C ATOM 0 H PHE A 87 16.276 7.542 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 87 18.274 5.890 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.899 7.709 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.454 6.771 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.060 4.613 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 87 18.565 6.954 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.485 3.256 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 87 18.987 5.599 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.450 3.745 2.063 1.00 0.00 H new ATOM 1397 N PHE A 88 15.608 4.649 -4.729 1.00 0.00 N ATOM 1398 CA PHE A 88 14.928 3.359 -5.049 1.00 0.00 C ATOM 1399 C PHE A 88 15.642 2.715 -6.246 1.00 0.00 C ATOM 1400 O PHE A 88 15.076 2.539 -7.307 1.00 0.00 O ATOM 1401 CB PHE A 88 13.444 3.637 -5.385 1.00 0.00 C ATOM 1402 CG PHE A 88 12.575 2.452 -4.992 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.767 1.207 -5.605 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.573 2.603 -4.018 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.965 0.117 -5.246 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.772 1.511 -3.662 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.969 0.269 -4.275 1.00 0.00 C ATOM 0 H PHE A 88 15.274 5.456 -5.255 1.00 0.00 H new ATOM 0 HA PHE A 88 14.970 2.680 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.108 4.531 -4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.338 3.835 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.535 1.088 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.421 3.561 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.115 -0.842 -5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.002 1.628 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.352 -0.573 -3.999 1.00 0.00 H new ATOM 1464 N MET B 0 -3.573 8.262 4.574 1.00 0.00 N ATOM 1465 CA MET B 0 -2.817 9.286 5.351 1.00 0.00 C ATOM 1466 C MET B 0 -1.321 9.152 5.056 1.00 0.00 C ATOM 1467 O MET B 0 -0.733 8.106 5.251 1.00 0.00 O ATOM 1468 CB MET B 0 -3.062 9.069 6.846 1.00 0.00 C ATOM 1469 CG MET B 0 -2.412 10.202 7.646 1.00 0.00 C ATOM 1470 SD MET B 0 -2.702 9.943 9.415 1.00 0.00 S ATOM 1471 CE MET B 0 -4.357 10.674 9.502 1.00 0.00 C ATOM 0 H1 MET B 0 -4.501 8.106 5.017 1.00 0.00 H new ATOM 0 H2 MET B 0 -3.707 8.596 3.598 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.039 7.369 4.565 1.00 0.00 H new ATOM 0 HA MET B 0 -3.154 10.282 5.065 1.00 0.00 H new ATOM 0 HB2 MET B 0 -4.133 9.036 7.048 1.00 0.00 H new ATOM 0 HB3 MET B 0 -2.650 8.109 7.156 1.00 0.00 H new ATOM 0 HG2 MET B 0 -1.341 10.235 7.444 1.00 0.00 H new ATOM 0 HG3 MET B 0 -2.825 11.162 7.337 1.00 0.00 H new ATOM 0 HE1 MET B 0 -4.683 10.713 10.541 1.00 0.00 H new ATOM 0 HE2 MET B 0 -4.331 11.684 9.092 1.00 0.00 H new ATOM 0 HE3 MET B 0 -5.054 10.066 8.925 1.00 0.00 H new ATOM 1483 N SER B 1 -0.699 10.201 4.590 1.00 0.00 N ATOM 1484 CA SER B 1 0.762 10.125 4.286 1.00 0.00 C ATOM 1485 C SER B 1 1.019 8.971 3.310 1.00 0.00 C ATOM 1486 O SER B 1 1.986 8.245 3.428 1.00 0.00 O ATOM 1487 CB SER B 1 1.536 9.886 5.589 1.00 0.00 C ATOM 1488 OG SER B 1 0.871 10.548 6.656 1.00 0.00 O ATOM 0 H SER B 1 -1.136 11.104 4.407 1.00 0.00 H new ATOM 0 HA SER B 1 1.095 11.059 3.833 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.605 8.818 5.794 1.00 0.00 H new ATOM 0 HB3 SER B 1 2.556 10.258 5.494 1.00 0.00 H new ATOM 0 HG SER B 1 1.361 10.397 7.491 1.00 0.00 H new ATOM 1494 N GLU B 2 0.154 8.800 2.353 1.00 0.00 N ATOM 1495 CA GLU B 2 0.322 7.698 1.363 1.00 0.00 C ATOM 1496 C GLU B 2 1.460 8.016 0.399 1.00 0.00 C ATOM 1497 O GLU B 2 1.897 7.164 -0.336 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.973 7.533 0.573 1.00 0.00 C ATOM 1499 CG GLU B 2 -2.047 6.994 1.508 1.00 0.00 C ATOM 1500 CD GLU B 2 -3.360 6.818 0.742 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.433 7.283 -0.384 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.271 6.223 1.294 1.00 0.00 O ATOM 0 H GLU B 2 -0.672 9.382 2.211 1.00 0.00 H new ATOM 0 HA GLU B 2 0.558 6.777 1.896 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.283 8.489 0.152 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.822 6.850 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -1.730 6.040 1.929 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.192 7.679 2.344 1.00 0.00 H new ATOM 1509 N LEU B 3 1.930 9.235 0.379 1.00 0.00 N ATOM 1510 CA LEU B 3 3.024 9.601 -0.576 1.00 0.00 C ATOM 1511 C LEU B 3 4.090 8.512 -0.605 1.00 0.00 C ATOM 1512 O LEU B 3 4.836 8.394 -1.549 1.00 0.00 O ATOM 1513 CB LEU B 3 3.685 10.914 -0.155 1.00 0.00 C ATOM 1514 CG LEU B 3 2.660 12.053 -0.136 1.00 0.00 C ATOM 1515 CD1 LEU B 3 3.380 13.351 0.236 1.00 0.00 C ATOM 1516 CD2 LEU B 3 1.999 12.202 -1.520 1.00 0.00 C ATOM 0 H LEU B 3 1.607 9.993 0.980 1.00 0.00 H new ATOM 0 HA LEU B 3 2.580 9.712 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU B 3 4.131 10.802 0.833 1.00 0.00 H new ATOM 0 HB3 LEU B 3 4.494 11.157 -0.844 1.00 0.00 H new ATOM 0 HG LEU B 3 1.882 11.832 0.595 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.664 14.172 0.254 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.835 13.245 1.221 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.155 13.561 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU B 3 1.273 13.015 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.762 12.423 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU B 3 1.493 11.273 -1.783 1.00 0.00 H new ATOM 1528 N GLU B 4 4.177 7.709 0.402 1.00 0.00 N ATOM 1529 CA GLU B 4 5.209 6.636 0.358 1.00 0.00 C ATOM 1530 C GLU B 4 4.793 5.607 -0.696 1.00 0.00 C ATOM 1531 O GLU B 4 5.601 5.086 -1.441 1.00 0.00 O ATOM 1532 CB GLU B 4 5.311 5.955 1.728 1.00 0.00 C ATOM 1533 CG GLU B 4 6.426 4.905 1.699 1.00 0.00 C ATOM 1534 CD GLU B 4 6.527 4.227 3.068 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.849 4.672 3.978 1.00 0.00 O ATOM 1536 OE2 GLU B 4 7.284 3.276 3.182 1.00 0.00 O ATOM 0 H GLU B 4 3.597 7.739 1.240 1.00 0.00 H new ATOM 0 HA GLU B 4 6.179 7.064 0.105 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.517 6.697 2.500 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.361 5.485 1.983 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.220 4.162 0.928 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.376 5.375 1.443 1.00 0.00 H new ATOM 1543 N LYS B 5 3.527 5.317 -0.746 1.00 0.00 N ATOM 1544 CA LYS B 5 2.998 4.323 -1.720 1.00 0.00 C ATOM 1545 C LYS B 5 2.852 4.949 -3.109 1.00 0.00 C ATOM 1546 O LYS B 5 3.221 4.362 -4.102 1.00 0.00 O ATOM 1547 CB LYS B 5 1.627 3.872 -1.214 1.00 0.00 C ATOM 1548 CG LYS B 5 1.009 2.845 -2.159 1.00 0.00 C ATOM 1549 CD LYS B 5 -0.360 2.435 -1.606 1.00 0.00 C ATOM 1550 CE LYS B 5 -1.351 3.610 -1.710 1.00 0.00 C ATOM 1551 NZ LYS B 5 -2.736 3.074 -1.834 1.00 0.00 N ATOM 0 H LYS B 5 2.820 5.735 -0.141 1.00 0.00 H new ATOM 0 HA LYS B 5 3.684 3.480 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.726 3.442 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.966 4.734 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.903 3.266 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS B 5 1.658 1.974 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.742 1.578 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.262 2.124 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.272 4.247 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.109 4.230 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.409 3.864 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.805 2.483 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.962 2.500 -0.997 1.00 0.00 H new ATOM 1565 N ALA B 6 2.278 6.115 -3.184 1.00 0.00 N ATOM 1566 CA ALA B 6 2.065 6.769 -4.501 1.00 0.00 C ATOM 1567 C ALA B 6 3.389 7.111 -5.173 1.00 0.00 C ATOM 1568 O ALA B 6 3.584 6.838 -6.334 1.00 0.00 O ATOM 1569 CB ALA B 6 1.262 8.055 -4.293 1.00 0.00 C ATOM 0 H ALA B 6 1.944 6.648 -2.381 1.00 0.00 H new ATOM 0 HA ALA B 6 1.524 6.076 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.100 8.543 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.299 7.814 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.813 8.726 -3.634 1.00 0.00 H new ATOM 1575 N MET B 7 4.286 7.724 -4.466 1.00 0.00 N ATOM 1576 CA MET B 7 5.581 8.104 -5.092 1.00 0.00 C ATOM 1577 C MET B 7 6.297 6.857 -5.595 1.00 0.00 C ATOM 1578 O MET B 7 6.890 6.849 -6.658 1.00 0.00 O ATOM 1579 CB MET B 7 6.464 8.822 -4.068 1.00 0.00 C ATOM 1580 CG MET B 7 5.866 10.192 -3.732 1.00 0.00 C ATOM 1581 SD MET B 7 7.064 11.138 -2.760 1.00 0.00 S ATOM 1582 CE MET B 7 6.321 12.772 -2.990 1.00 0.00 C ATOM 0 H MET B 7 4.183 7.980 -3.484 1.00 0.00 H new ATOM 0 HA MET B 7 5.386 8.772 -5.931 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.548 8.221 -3.163 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.472 8.943 -4.465 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.617 10.729 -4.648 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.939 10.071 -3.172 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.883 13.511 -2.419 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.344 13.037 -4.047 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.288 12.754 -2.643 1.00 0.00 H new ATOM 1592 N VAL B 8 6.245 5.803 -4.843 1.00 0.00 N ATOM 1593 CA VAL B 8 6.922 4.550 -5.272 1.00 0.00 C ATOM 1594 C VAL B 8 6.267 4.022 -6.551 1.00 0.00 C ATOM 1595 O VAL B 8 6.924 3.503 -7.430 1.00 0.00 O ATOM 1596 CB VAL B 8 6.814 3.504 -4.157 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.284 2.140 -4.679 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.692 3.932 -2.973 1.00 0.00 C ATOM 0 H VAL B 8 5.762 5.751 -3.946 1.00 0.00 H new ATOM 0 HA VAL B 8 7.974 4.754 -5.471 1.00 0.00 H new ATOM 0 HB VAL B 8 5.776 3.425 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.206 1.399 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.659 1.837 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.321 2.213 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.618 3.190 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.729 4.012 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.354 4.899 -2.600 1.00 0.00 H new ATOM 1608 N ALA B 9 4.972 4.119 -6.637 1.00 0.00 N ATOM 1609 CA ALA B 9 4.253 3.590 -7.834 1.00 0.00 C ATOM 1610 C ALA B 9 4.575 4.402 -9.089 1.00 0.00 C ATOM 1611 O ALA B 9 4.640 3.861 -10.172 1.00 0.00 O ATOM 1612 CB ALA B 9 2.752 3.623 -7.585 1.00 0.00 C ATOM 0 H ALA B 9 4.375 4.544 -5.928 1.00 0.00 H new ATOM 0 HA ALA B 9 4.585 2.565 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA B 9 2.229 3.236 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.513 3.007 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.437 4.650 -7.398 1.00 0.00 H new ATOM 1618 N LEU B 10 4.768 5.687 -8.978 1.00 0.00 N ATOM 1619 CA LEU B 10 5.075 6.472 -10.205 1.00 0.00 C ATOM 1620 C LEU B 10 6.354 5.908 -10.803 1.00 0.00 C ATOM 1621 O LEU B 10 6.499 5.782 -12.002 1.00 0.00 O ATOM 1622 CB LEU B 10 5.321 7.945 -9.861 1.00 0.00 C ATOM 1623 CG LEU B 10 4.094 8.574 -9.196 1.00 0.00 C ATOM 1624 CD1 LEU B 10 4.406 10.041 -8.878 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.882 8.496 -10.136 1.00 0.00 C ATOM 0 H LEU B 10 4.728 6.219 -8.109 1.00 0.00 H new ATOM 0 HA LEU B 10 4.235 6.406 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.180 8.026 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.568 8.496 -10.768 1.00 0.00 H new ATOM 0 HG LEU B 10 3.858 8.033 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.540 10.503 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.260 10.093 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.640 10.572 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.016 8.947 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.102 9.033 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.667 7.453 -10.366 1.00 0.00 H new ATOM 1637 N ILE B 11 7.286 5.576 -9.963 1.00 0.00 N ATOM 1638 CA ILE B 11 8.576 5.025 -10.450 1.00 0.00 C ATOM 1639 C ILE B 11 8.372 3.634 -11.074 1.00 0.00 C ATOM 1640 O ILE B 11 8.986 3.303 -12.068 1.00 0.00 O ATOM 1641 CB ILE B 11 9.547 4.949 -9.265 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.940 6.376 -8.865 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.796 4.160 -9.660 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.696 6.377 -7.531 1.00 0.00 C ATOM 0 H ILE B 11 7.210 5.663 -8.950 1.00 0.00 H new ATOM 0 HA ILE B 11 8.986 5.674 -11.224 1.00 0.00 H new ATOM 0 HB ILE B 11 9.068 4.443 -8.427 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.563 6.818 -9.642 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.047 6.995 -8.783 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.479 4.112 -8.812 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.510 3.150 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.290 4.655 -10.496 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.965 7.399 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.060 5.956 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.601 5.776 -7.625 1.00 0.00 H new ATOM 1656 N ASP B 12 7.542 2.807 -10.491 1.00 0.00 N ATOM 1657 CA ASP B 12 7.342 1.434 -11.052 1.00 0.00 C ATOM 1658 C ASP B 12 6.774 1.484 -12.484 1.00 0.00 C ATOM 1659 O ASP B 12 7.192 0.739 -13.347 1.00 0.00 O ATOM 1660 CB ASP B 12 6.378 0.659 -10.148 1.00 0.00 C ATOM 1661 CG ASP B 12 6.173 -0.759 -10.693 1.00 0.00 C ATOM 1662 OD1 ASP B 12 6.586 -1.015 -11.812 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.611 -1.569 -9.975 1.00 0.00 O ATOM 0 H ASP B 12 6.997 3.020 -9.656 1.00 0.00 H new ATOM 0 HA ASP B 12 8.311 0.936 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.775 0.614 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.421 1.178 -10.093 1.00 0.00 H new ATOM 1668 N VAL B 13 5.810 2.329 -12.738 1.00 0.00 N ATOM 1669 CA VAL B 13 5.201 2.390 -14.108 1.00 0.00 C ATOM 1670 C VAL B 13 6.191 3.028 -15.104 1.00 0.00 C ATOM 1671 O VAL B 13 6.239 2.663 -16.270 1.00 0.00 O ATOM 1672 CB VAL B 13 3.843 3.163 -14.022 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.775 4.339 -15.005 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.666 2.220 -14.331 1.00 0.00 C ATOM 0 H VAL B 13 5.415 2.981 -12.060 1.00 0.00 H new ATOM 0 HA VAL B 13 4.993 1.387 -14.481 1.00 0.00 H new ATOM 0 HB VAL B 13 3.776 3.549 -13.005 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.813 4.842 -14.905 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.577 5.044 -14.785 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.887 3.968 -16.024 1.00 0.00 H new ATOM 0 HG21 VAL B 13 1.729 2.774 -14.267 1.00 0.00 H new ATOM 0 HG22 VAL B 13 2.779 1.814 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.655 1.403 -13.609 1.00 0.00 H new ATOM 1684 N PHE B 14 6.988 3.962 -14.672 1.00 0.00 N ATOM 1685 CA PHE B 14 7.949 4.580 -15.625 1.00 0.00 C ATOM 1686 C PHE B 14 8.869 3.496 -16.173 1.00 0.00 C ATOM 1687 O PHE B 14 9.191 3.487 -17.334 1.00 0.00 O ATOM 1688 CB PHE B 14 8.789 5.648 -14.921 1.00 0.00 C ATOM 1689 CG PHE B 14 9.788 6.225 -15.904 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.451 7.338 -16.685 1.00 0.00 C ATOM 1691 CD2 PHE B 14 11.057 5.644 -16.029 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.381 7.868 -17.590 1.00 0.00 C ATOM 1693 CE2 PHE B 14 11.986 6.173 -16.933 1.00 0.00 C ATOM 1694 CZ PHE B 14 11.648 7.285 -17.713 1.00 0.00 C ATOM 0 H PHE B 14 7.017 4.320 -13.717 1.00 0.00 H new ATOM 0 HA PHE B 14 7.394 5.050 -16.437 1.00 0.00 H new ATOM 0 HB2 PHE B 14 8.145 6.437 -14.533 1.00 0.00 H new ATOM 0 HB3 PHE B 14 9.310 5.214 -14.068 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.474 7.788 -16.590 1.00 0.00 H new ATOM 0 HD2 PHE B 14 11.319 4.787 -15.427 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.120 8.726 -18.192 1.00 0.00 H new ATOM 0 HE2 PHE B 14 12.963 5.723 -17.028 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.365 7.693 -18.410 1.00 0.00 H new ATOM 1704 N HIS B 15 9.290 2.582 -15.350 1.00 0.00 N ATOM 1705 CA HIS B 15 10.190 1.498 -15.836 1.00 0.00 C ATOM 1706 C HIS B 15 9.390 0.454 -16.624 1.00 0.00 C ATOM 1707 O HIS B 15 9.942 -0.295 -17.408 1.00 0.00 O ATOM 1708 CB HIS B 15 10.868 0.818 -14.641 1.00 0.00 C ATOM 1709 CG HIS B 15 12.076 0.051 -15.111 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.999 -1.270 -15.532 1.00 0.00 N ATOM 1711 CD2 HIS B 15 13.398 0.407 -15.236 1.00 0.00 C ATOM 1712 CE1 HIS B 15 13.238 -1.657 -15.888 1.00 0.00 C ATOM 1713 NE2 HIS B 15 14.125 -0.673 -15.726 1.00 0.00 N ATOM 0 H HIS B 15 9.051 2.536 -14.359 1.00 0.00 H new ATOM 0 HA HIS B 15 10.944 1.936 -16.489 1.00 0.00 H new ATOM 0 HB2 HIS B 15 11.164 1.565 -13.905 1.00 0.00 H new ATOM 0 HB3 HIS B 15 10.167 0.145 -14.148 1.00 0.00 H new ATOM 0 HD2 HIS B 15 13.809 1.376 -14.992 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.484 -2.641 -16.259 1.00 0.00 H new ATOM 0 HE2 HIS B 15 15.126 -0.706 -15.921 1.00 0.00 H new ATOM 1722 N GLN B 16 8.103 0.374 -16.401 1.00 0.00 N ATOM 1723 CA GLN B 16 7.289 -0.653 -17.107 1.00 0.00 C ATOM 1724 C GLN B 16 7.471 -0.542 -18.620 1.00 0.00 C ATOM 1725 O GLN B 16 7.616 -1.544 -19.292 1.00 0.00 O ATOM 1726 CB GLN B 16 5.809 -0.449 -16.745 1.00 0.00 C ATOM 1727 CG GLN B 16 4.909 -1.320 -17.625 1.00 0.00 C ATOM 1728 CD GLN B 16 5.402 -2.769 -17.597 1.00 0.00 C ATOM 1729 OE1 GLN B 16 5.154 -3.510 -16.550 1.00 0.00 O flip ATOM 1730 NE2 GLN B 16 6.024 -3.231 -18.533 1.00 0.00 N flip ATOM 0 H GLN B 16 7.584 0.976 -15.761 1.00 0.00 H new ATOM 0 HA GLN B 16 7.618 -1.645 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.649 -0.697 -15.696 1.00 0.00 H new ATOM 0 HB3 GLN B 16 5.541 0.600 -16.869 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.880 -1.270 -17.270 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.912 -0.945 -18.648 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.218 -2.653 -19.351 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.352 -4.196 -18.501 1.00 0.00 H new ATOM 1739 N TYR B 17 7.454 0.647 -19.171 1.00 0.00 N ATOM 1740 CA TYR B 17 7.614 0.780 -20.668 1.00 0.00 C ATOM 1741 C TYR B 17 8.867 1.592 -21.025 1.00 0.00 C ATOM 1742 O TYR B 17 9.406 1.457 -22.106 1.00 0.00 O ATOM 1743 CB TYR B 17 6.371 1.462 -21.244 1.00 0.00 C ATOM 1744 CG TYR B 17 6.317 2.888 -20.767 1.00 0.00 C ATOM 1745 CD1 TYR B 17 5.990 3.156 -19.438 1.00 0.00 C ATOM 1746 CD2 TYR B 17 6.591 3.937 -21.650 1.00 0.00 C ATOM 1747 CE1 TYR B 17 5.940 4.472 -18.983 1.00 0.00 C ATOM 1748 CE2 TYR B 17 6.538 5.259 -21.199 1.00 0.00 C ATOM 1749 CZ TYR B 17 6.214 5.530 -19.863 1.00 0.00 C ATOM 1750 OH TYR B 17 6.170 6.835 -19.415 1.00 0.00 O ATOM 0 H TYR B 17 7.338 1.525 -18.664 1.00 0.00 H new ATOM 0 HA TYR B 17 7.728 -0.216 -21.097 1.00 0.00 H new ATOM 0 HB2 TYR B 17 6.398 1.432 -22.333 1.00 0.00 H new ATOM 0 HB3 TYR B 17 5.473 0.929 -20.933 1.00 0.00 H new ATOM 0 HD1 TYR B 17 5.775 2.343 -18.761 1.00 0.00 H new ATOM 0 HD2 TYR B 17 6.843 3.726 -22.679 1.00 0.00 H new ATOM 0 HE1 TYR B 17 5.690 4.678 -17.953 1.00 0.00 H new ATOM 0 HE2 TYR B 17 6.747 6.071 -21.880 1.00 0.00 H new ATOM 0 HH TYR B 17 5.906 6.848 -18.471 1.00 0.00 H new ATOM 1760 N SER B 18 9.336 2.437 -20.149 1.00 0.00 N ATOM 1761 CA SER B 18 10.552 3.243 -20.488 1.00 0.00 C ATOM 1762 C SER B 18 11.723 2.302 -20.769 1.00 0.00 C ATOM 1763 O SER B 18 12.509 2.521 -21.669 1.00 0.00 O ATOM 1764 CB SER B 18 10.927 4.155 -19.321 1.00 0.00 C ATOM 1765 OG SER B 18 9.832 5.012 -19.020 1.00 0.00 O ATOM 0 H SER B 18 8.940 2.606 -19.225 1.00 0.00 H new ATOM 0 HA SER B 18 10.334 3.850 -21.367 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.186 3.558 -18.447 1.00 0.00 H new ATOM 0 HB3 SER B 18 11.807 4.746 -19.575 1.00 0.00 H new ATOM 0 HG SER B 18 9.637 4.969 -18.061 1.00 0.00 H new ATOM 1771 N GLY B 19 11.850 1.258 -19.996 1.00 0.00 N ATOM 1772 CA GLY B 19 12.971 0.304 -20.204 1.00 0.00 C ATOM 1773 C GLY B 19 12.665 -0.607 -21.391 1.00 0.00 C ATOM 1774 O GLY B 19 13.427 -1.495 -21.714 1.00 0.00 O ATOM 0 H GLY B 19 11.222 1.026 -19.227 1.00 0.00 H new ATOM 0 HA2 GLY B 19 13.897 0.851 -20.383 1.00 0.00 H new ATOM 0 HA3 GLY B 19 13.123 -0.294 -19.305 1.00 0.00 H new ATOM 1778 N ARG B 20 11.560 -0.395 -22.048 1.00 0.00 N ATOM 1779 CA ARG B 20 11.223 -1.253 -23.215 1.00 0.00 C ATOM 1780 C ARG B 20 12.330 -1.109 -24.256 1.00 0.00 C ATOM 1781 O ARG B 20 12.773 -2.074 -24.847 1.00 0.00 O ATOM 1782 CB ARG B 20 9.907 -0.777 -23.827 1.00 0.00 C ATOM 1783 CG ARG B 20 9.532 -1.672 -25.012 1.00 0.00 C ATOM 1784 CD ARG B 20 8.232 -1.165 -25.623 1.00 0.00 C ATOM 1785 NE ARG B 20 7.836 -2.048 -26.757 1.00 0.00 N ATOM 1786 CZ ARG B 20 6.631 -1.971 -27.251 1.00 0.00 C ATOM 1787 NH1 ARG B 20 5.782 -1.113 -26.759 1.00 0.00 N ATOM 1788 NH2 ARG B 20 6.276 -2.749 -28.237 1.00 0.00 N ATOM 0 H ARG B 20 10.879 0.332 -21.828 1.00 0.00 H new ATOM 0 HA ARG B 20 11.128 -2.292 -22.900 1.00 0.00 H new ATOM 0 HB2 ARG B 20 9.117 -0.801 -23.077 1.00 0.00 H new ATOM 0 HB3 ARG B 20 10.002 0.258 -24.157 1.00 0.00 H new ATOM 0 HG2 ARG B 20 10.327 -1.663 -25.757 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.416 -2.704 -24.682 1.00 0.00 H new ATOM 0 HD2 ARG B 20 7.445 -1.150 -24.869 1.00 0.00 H new ATOM 0 HD3 ARG B 20 8.358 -0.140 -25.973 1.00 0.00 H new ATOM 0 HE ARG B 20 8.506 -2.711 -27.146 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.060 -0.504 -25.990 1.00 0.00 H new ATOM 0 HH12 ARG B 20 4.839 -1.051 -27.143 1.00 0.00 H new ATOM 0 HH21 ARG B 20 6.941 -3.419 -28.623 1.00 0.00 H new ATOM 0 HH22 ARG B 20 5.333 -2.687 -28.622 1.00 0.00 H new ATOM 1802 N GLU B 21 12.778 0.101 -24.478 1.00 0.00 N ATOM 1803 CA GLU B 21 13.865 0.352 -25.480 1.00 0.00 C ATOM 1804 C GLU B 21 15.116 0.853 -24.755 1.00 0.00 C ATOM 1805 O GLU B 21 15.064 1.270 -23.615 1.00 0.00 O ATOM 1806 CB GLU B 21 13.411 1.418 -26.481 1.00 0.00 C ATOM 1807 CG GLU B 21 12.218 0.901 -27.285 1.00 0.00 C ATOM 1808 CD GLU B 21 11.775 1.976 -28.280 1.00 0.00 C ATOM 1809 OE1 GLU B 21 12.289 3.079 -28.195 1.00 0.00 O ATOM 1810 OE2 GLU B 21 10.923 1.682 -29.101 1.00 0.00 O ATOM 0 H GLU B 21 12.435 0.936 -24.004 1.00 0.00 H new ATOM 0 HA GLU B 21 14.086 -0.575 -26.009 1.00 0.00 H new ATOM 0 HB2 GLU B 21 13.137 2.332 -25.953 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.231 1.672 -27.153 1.00 0.00 H new ATOM 0 HG2 GLU B 21 12.490 -0.012 -27.815 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.396 0.648 -26.616 1.00 0.00 H new ATOM 1817 N GLY B 22 16.241 0.797 -25.413 1.00 0.00 N ATOM 1818 CA GLY B 22 17.522 1.248 -24.791 1.00 0.00 C ATOM 1819 C GLY B 22 17.324 2.535 -23.979 1.00 0.00 C ATOM 1820 O GLY B 22 18.134 2.869 -23.138 1.00 0.00 O ATOM 0 H GLY B 22 16.330 0.453 -26.369 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.910 0.463 -24.143 1.00 0.00 H new ATOM 0 HA3 GLY B 22 18.267 1.417 -25.569 1.00 0.00 H new ATOM 1824 N ASP B 23 16.273 3.270 -24.223 1.00 0.00 N ATOM 1825 CA ASP B 23 16.064 4.533 -23.463 1.00 0.00 C ATOM 1826 C ASP B 23 15.529 4.215 -22.061 1.00 0.00 C ATOM 1827 O ASP B 23 14.339 4.218 -21.821 1.00 0.00 O ATOM 1828 CB ASP B 23 15.060 5.393 -24.229 1.00 0.00 C ATOM 1829 CG ASP B 23 15.696 5.853 -25.542 1.00 0.00 C ATOM 1830 OD1 ASP B 23 16.808 6.354 -25.494 1.00 0.00 O ATOM 1831 OD2 ASP B 23 15.067 5.689 -26.574 1.00 0.00 O ATOM 0 H ASP B 23 15.554 3.051 -24.912 1.00 0.00 H new ATOM 0 HA ASP B 23 17.007 5.070 -23.356 1.00 0.00 H new ATOM 0 HB2 ASP B 23 14.153 4.823 -24.430 1.00 0.00 H new ATOM 0 HB3 ASP B 23 14.769 6.255 -23.630 1.00 0.00 H new ATOM 1836 N LYS B 24 16.412 3.934 -21.135 1.00 0.00 N ATOM 1837 CA LYS B 24 15.982 3.605 -19.739 1.00 0.00 C ATOM 1838 C LYS B 24 16.008 4.867 -18.863 1.00 0.00 C ATOM 1839 O LYS B 24 15.124 5.095 -18.062 1.00 0.00 O ATOM 1840 CB LYS B 24 16.969 2.590 -19.151 1.00 0.00 C ATOM 1841 CG LYS B 24 16.877 1.264 -19.916 1.00 0.00 C ATOM 1842 CD LYS B 24 18.149 0.441 -19.686 1.00 0.00 C ATOM 1843 CE LYS B 24 18.262 0.072 -18.206 1.00 0.00 C ATOM 1844 NZ LYS B 24 19.308 -0.977 -18.035 1.00 0.00 N ATOM 0 H LYS B 24 17.420 3.918 -21.287 1.00 0.00 H new ATOM 0 HA LYS B 24 14.970 3.200 -19.762 1.00 0.00 H new ATOM 0 HB2 LYS B 24 17.984 2.983 -19.208 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.750 2.426 -18.096 1.00 0.00 H new ATOM 0 HG2 LYS B 24 16.004 0.702 -19.583 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.745 1.457 -20.981 1.00 0.00 H new ATOM 0 HD2 LYS B 24 18.125 -0.462 -20.295 1.00 0.00 H new ATOM 0 HD3 LYS B 24 19.024 1.012 -19.997 1.00 0.00 H new ATOM 0 HE2 LYS B 24 18.517 0.954 -17.618 1.00 0.00 H new ATOM 0 HE3 LYS B 24 17.303 -0.291 -17.836 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 19.386 -1.229 -17.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 19.046 -1.821 -18.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 20.222 -0.614 -18.373 1.00 0.00 H new ATOM 1858 N HIS B 25 17.033 5.675 -18.994 1.00 0.00 N ATOM 1859 CA HIS B 25 17.141 6.911 -18.151 1.00 0.00 C ATOM 1860 C HIS B 25 16.526 8.107 -18.879 1.00 0.00 C ATOM 1861 O HIS B 25 16.500 9.209 -18.369 1.00 0.00 O ATOM 1862 CB HIS B 25 18.617 7.192 -17.860 1.00 0.00 C ATOM 1863 CG HIS B 25 19.204 6.038 -17.089 1.00 0.00 C ATOM 1864 ND1 HIS B 25 20.572 5.818 -17.015 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.623 5.029 -16.358 1.00 0.00 C ATOM 1866 CE1 HIS B 25 20.767 4.716 -16.264 1.00 0.00 C ATOM 1867 NE2 HIS B 25 19.612 4.200 -15.842 1.00 0.00 N ATOM 0 H HIS B 25 17.802 5.533 -19.649 1.00 0.00 H new ATOM 0 HA HIS B 25 16.601 6.755 -17.217 1.00 0.00 H new ATOM 0 HB2 HIS B 25 19.162 7.335 -18.793 1.00 0.00 H new ATOM 0 HB3 HIS B 25 18.717 8.114 -17.288 1.00 0.00 H new ATOM 0 HD2 HIS B 25 17.561 4.900 -16.208 1.00 0.00 H new ATOM 0 HE1 HIS B 25 21.738 4.302 -16.033 1.00 0.00 H new ATOM 0 HE2 HIS B 25 19.482 3.371 -15.262 1.00 0.00 H new ATOM 1876 N LYS B 26 16.023 7.895 -20.062 1.00 0.00 N ATOM 1877 CA LYS B 26 15.394 9.007 -20.835 1.00 0.00 C ATOM 1878 C LYS B 26 14.149 8.459 -21.521 1.00 0.00 C ATOM 1879 O LYS B 26 14.015 7.267 -21.706 1.00 0.00 O ATOM 1880 CB LYS B 26 16.391 9.537 -21.868 1.00 0.00 C ATOM 1881 CG LYS B 26 16.838 8.400 -22.796 1.00 0.00 C ATOM 1882 CD LYS B 26 18.109 8.811 -23.567 1.00 0.00 C ATOM 1883 CE LYS B 26 19.361 8.478 -22.742 1.00 0.00 C ATOM 1884 NZ LYS B 26 19.511 6.999 -22.641 1.00 0.00 N ATOM 0 H LYS B 26 16.020 6.990 -20.533 1.00 0.00 H new ATOM 0 HA LYS B 26 15.117 9.830 -20.176 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.933 10.335 -22.452 1.00 0.00 H new ATOM 0 HB3 LYS B 26 17.256 9.967 -21.363 1.00 0.00 H new ATOM 0 HG2 LYS B 26 17.033 7.500 -22.213 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.040 8.159 -23.498 1.00 0.00 H new ATOM 0 HD2 LYS B 26 18.147 8.291 -24.524 1.00 0.00 H new ATOM 0 HD3 LYS B 26 18.082 9.879 -23.785 1.00 0.00 H new ATOM 0 HE2 LYS B 26 20.244 8.913 -23.210 1.00 0.00 H new ATOM 0 HE3 LYS B 26 19.280 8.915 -21.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 20.517 6.759 -22.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 18.979 6.651 -21.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 19.142 6.553 -23.505 1.00 0.00 H new ATOM 1898 N LEU B 27 13.218 9.312 -21.858 1.00 0.00 N ATOM 1899 CA LEU B 27 11.948 8.845 -22.499 1.00 0.00 C ATOM 1900 C LEU B 27 11.770 9.531 -23.857 1.00 0.00 C ATOM 1901 O LEU B 27 11.631 10.728 -23.926 1.00 0.00 O ATOM 1902 CB LEU B 27 10.781 9.233 -21.575 1.00 0.00 C ATOM 1903 CG LEU B 27 9.570 8.314 -21.829 1.00 0.00 C ATOM 1904 CD1 LEU B 27 9.745 6.985 -21.073 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.289 9.008 -21.355 1.00 0.00 C ATOM 0 H LEU B 27 13.281 10.320 -21.717 1.00 0.00 H new ATOM 0 HA LEU B 27 11.976 7.766 -22.651 1.00 0.00 H new ATOM 0 HB2 LEU B 27 11.092 9.157 -20.533 1.00 0.00 H new ATOM 0 HB3 LEU B 27 10.501 10.272 -21.749 1.00 0.00 H new ATOM 0 HG LEU B 27 9.500 8.109 -22.897 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.884 6.344 -21.260 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.650 6.486 -21.419 1.00 0.00 H new ATOM 0 HD13 LEU B 27 9.825 7.182 -20.004 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.434 8.356 -21.536 1.00 0.00 H new ATOM 0 HD22 LEU B 27 8.364 9.221 -20.289 1.00 0.00 H new ATOM 0 HD23 LEU B 27 8.156 9.941 -21.903 1.00 0.00 H new ATOM 1917 N LYS B 28 11.747 8.794 -24.937 1.00 0.00 N ATOM 1918 CA LYS B 28 11.548 9.445 -26.264 1.00 0.00 C ATOM 1919 C LYS B 28 10.052 9.487 -26.559 1.00 0.00 C ATOM 1920 O LYS B 28 9.313 8.620 -26.134 1.00 0.00 O ATOM 1921 CB LYS B 28 12.242 8.624 -27.356 1.00 0.00 C ATOM 1922 CG LYS B 28 13.697 8.362 -26.965 1.00 0.00 C ATOM 1923 CD LYS B 28 14.495 7.910 -28.199 1.00 0.00 C ATOM 1924 CE LYS B 28 13.827 6.689 -28.856 1.00 0.00 C ATOM 1925 NZ LYS B 28 12.842 7.152 -29.876 1.00 0.00 N ATOM 0 H LYS B 28 11.856 7.780 -24.958 1.00 0.00 H new ATOM 0 HA LYS B 28 11.968 10.451 -26.247 1.00 0.00 H new ATOM 0 HB2 LYS B 28 11.719 7.678 -27.500 1.00 0.00 H new ATOM 0 HB3 LYS B 28 12.202 9.158 -28.305 1.00 0.00 H new ATOM 0 HG2 LYS B 28 14.139 9.266 -26.546 1.00 0.00 H new ATOM 0 HG3 LYS B 28 13.743 7.596 -26.191 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.559 8.727 -28.917 1.00 0.00 H new ATOM 0 HD3 LYS B 28 15.516 7.661 -27.908 1.00 0.00 H new ATOM 0 HE2 LYS B 28 14.581 6.056 -29.324 1.00 0.00 H new ATOM 0 HE3 LYS B 28 13.327 6.084 -28.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.974 6.613 -30.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.877 7.002 -29.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 12.988 8.164 -30.065 1.00 0.00 H new ATOM 1939 N LYS B 29 9.593 10.470 -27.294 1.00 0.00 N ATOM 1940 CA LYS B 29 8.137 10.535 -27.630 1.00 0.00 C ATOM 1941 C LYS B 29 7.665 9.148 -28.042 1.00 0.00 C ATOM 1942 O LYS B 29 6.496 8.834 -28.003 1.00 0.00 O ATOM 1943 CB LYS B 29 7.916 11.491 -28.803 1.00 0.00 C ATOM 1944 CG LYS B 29 8.700 11.015 -30.030 1.00 0.00 C ATOM 1945 CD LYS B 29 8.510 12.014 -31.171 1.00 0.00 C ATOM 1946 CE LYS B 29 9.201 11.484 -32.428 1.00 0.00 C ATOM 1947 NZ LYS B 29 9.021 12.458 -33.541 1.00 0.00 N ATOM 0 H LYS B 29 10.161 11.227 -27.674 1.00 0.00 H new ATOM 0 HA LYS B 29 7.582 10.888 -26.761 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.854 11.547 -29.041 1.00 0.00 H new ATOM 0 HB3 LYS B 29 8.234 12.496 -28.527 1.00 0.00 H new ATOM 0 HG2 LYS B 29 9.758 10.922 -29.786 1.00 0.00 H new ATOM 0 HG3 LYS B 29 8.355 10.027 -30.335 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.448 12.166 -31.363 1.00 0.00 H new ATOM 0 HD3 LYS B 29 8.926 12.983 -30.894 1.00 0.00 H new ATOM 0 HE2 LYS B 29 10.262 11.329 -32.234 1.00 0.00 H new ATOM 0 HE3 LYS B 29 8.783 10.517 -32.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.491 12.098 -34.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.006 12.585 -33.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.440 13.372 -33.274 1.00 0.00 H new ATOM 1961 N SER B 30 8.584 8.327 -28.454 1.00 0.00 N ATOM 1962 CA SER B 30 8.213 6.950 -28.889 1.00 0.00 C ATOM 1963 C SER B 30 7.792 6.117 -27.675 1.00 0.00 C ATOM 1964 O SER B 30 6.752 5.489 -27.680 1.00 0.00 O ATOM 1965 CB SER B 30 9.407 6.291 -29.579 1.00 0.00 C ATOM 1966 OG SER B 30 10.416 6.020 -28.616 1.00 0.00 O ATOM 0 H SER B 30 9.578 8.547 -28.510 1.00 0.00 H new ATOM 0 HA SER B 30 7.379 7.007 -29.588 1.00 0.00 H new ATOM 0 HB2 SER B 30 9.096 5.367 -30.066 1.00 0.00 H new ATOM 0 HB3 SER B 30 9.798 6.946 -30.358 1.00 0.00 H new ATOM 0 HG SER B 30 11.110 5.457 -29.019 1.00 0.00 H new ATOM 1972 N GLU B 31 8.576 6.115 -26.627 1.00 0.00 N ATOM 1973 CA GLU B 31 8.186 5.330 -25.424 1.00 0.00 C ATOM 1974 C GLU B 31 6.971 5.990 -24.777 1.00 0.00 C ATOM 1975 O GLU B 31 6.115 5.332 -24.223 1.00 0.00 O ATOM 1976 CB GLU B 31 9.343 5.270 -24.426 1.00 0.00 C ATOM 1977 CG GLU B 31 10.437 4.343 -24.962 1.00 0.00 C ATOM 1978 CD GLU B 31 11.591 4.288 -23.959 1.00 0.00 C ATOM 1979 OE1 GLU B 31 11.685 5.187 -23.146 1.00 0.00 O ATOM 1980 OE2 GLU B 31 12.353 3.339 -24.011 1.00 0.00 O ATOM 0 H GLU B 31 9.460 6.619 -26.555 1.00 0.00 H new ATOM 0 HA GLU B 31 7.939 4.311 -25.721 1.00 0.00 H new ATOM 0 HB2 GLU B 31 9.747 6.269 -24.262 1.00 0.00 H new ATOM 0 HB3 GLU B 31 8.986 4.908 -23.462 1.00 0.00 H new ATOM 0 HG2 GLU B 31 10.034 3.343 -25.125 1.00 0.00 H new ATOM 0 HG3 GLU B 31 10.795 4.704 -25.926 1.00 0.00 H new ATOM 1987 N LEU B 32 6.883 7.289 -24.854 1.00 0.00 N ATOM 1988 CA LEU B 32 5.713 7.987 -24.259 1.00 0.00 C ATOM 1989 C LEU B 32 4.450 7.473 -24.939 1.00 0.00 C ATOM 1990 O LEU B 32 3.449 7.237 -24.308 1.00 0.00 O ATOM 1991 CB LEU B 32 5.852 9.496 -24.488 1.00 0.00 C ATOM 1992 CG LEU B 32 4.609 10.233 -23.968 1.00 0.00 C ATOM 1993 CD1 LEU B 32 4.387 9.916 -22.482 1.00 0.00 C ATOM 1994 CD2 LEU B 32 4.816 11.743 -24.151 1.00 0.00 C ATOM 0 H LEU B 32 7.570 7.895 -25.303 1.00 0.00 H new ATOM 0 HA LEU B 32 5.660 7.796 -23.187 1.00 0.00 H new ATOM 0 HB2 LEU B 32 6.742 9.867 -23.979 1.00 0.00 H new ATOM 0 HB3 LEU B 32 5.985 9.698 -25.551 1.00 0.00 H new ATOM 0 HG LEU B 32 3.732 9.907 -24.527 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.503 10.444 -22.125 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.244 8.843 -22.356 1.00 0.00 H new ATOM 0 HD13 LEU B 32 5.257 10.235 -21.908 1.00 0.00 H new ATOM 0 HD21 LEU B 32 3.939 12.277 -23.785 1.00 0.00 H new ATOM 0 HD22 LEU B 32 5.695 12.060 -23.590 1.00 0.00 H new ATOM 0 HD23 LEU B 32 4.961 11.965 -25.208 1.00 0.00 H new ATOM 2006 N LYS B 33 4.503 7.291 -26.225 1.00 0.00 N ATOM 2007 CA LYS B 33 3.318 6.772 -26.972 1.00 0.00 C ATOM 2008 C LYS B 33 2.971 5.369 -26.471 1.00 0.00 C ATOM 2009 O LYS B 33 1.819 5.013 -26.328 1.00 0.00 O ATOM 2010 CB LYS B 33 3.673 6.731 -28.465 1.00 0.00 C ATOM 2011 CG LYS B 33 2.601 5.982 -29.270 1.00 0.00 C ATOM 2012 CD LYS B 33 1.215 6.578 -29.000 1.00 0.00 C ATOM 2013 CE LYS B 33 0.261 6.185 -30.130 1.00 0.00 C ATOM 2014 NZ LYS B 33 0.273 4.705 -30.297 1.00 0.00 N ATOM 0 H LYS B 33 5.323 7.480 -26.801 1.00 0.00 H new ATOM 0 HA LYS B 33 2.454 7.418 -26.815 1.00 0.00 H new ATOM 0 HB2 LYS B 33 3.773 7.747 -28.846 1.00 0.00 H new ATOM 0 HB3 LYS B 33 4.639 6.244 -28.599 1.00 0.00 H new ATOM 0 HG2 LYS B 33 2.828 6.042 -30.334 1.00 0.00 H new ATOM 0 HG3 LYS B 33 2.608 4.926 -29.002 1.00 0.00 H new ATOM 0 HD2 LYS B 33 0.832 6.218 -28.045 1.00 0.00 H new ATOM 0 HD3 LYS B 33 1.282 7.664 -28.927 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -0.749 6.528 -29.904 1.00 0.00 H new ATOM 0 HE3 LYS B 33 0.562 6.669 -31.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -0.703 4.359 -30.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 0.815 4.456 -31.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 0.715 4.265 -29.465 1.00 0.00 H new ATOM 2028 N GLU B 34 3.958 4.564 -26.215 1.00 0.00 N ATOM 2029 CA GLU B 34 3.682 3.180 -25.745 1.00 0.00 C ATOM 2030 C GLU B 34 2.911 3.213 -24.431 1.00 0.00 C ATOM 2031 O GLU B 34 2.018 2.428 -24.215 1.00 0.00 O ATOM 2032 CB GLU B 34 4.998 2.418 -25.565 1.00 0.00 C ATOM 2033 CG GLU B 34 5.623 2.140 -26.936 1.00 0.00 C ATOM 2034 CD GLU B 34 4.749 1.151 -27.713 1.00 0.00 C ATOM 2035 OE1 GLU B 34 3.967 0.459 -27.081 1.00 0.00 O ATOM 2036 OE2 GLU B 34 4.876 1.104 -28.925 1.00 0.00 O ATOM 0 H GLU B 34 4.945 4.803 -26.310 1.00 0.00 H new ATOM 0 HA GLU B 34 3.075 2.668 -26.492 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.686 3.000 -24.952 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.818 1.480 -25.039 1.00 0.00 H new ATOM 0 HG2 GLU B 34 5.722 3.070 -27.496 1.00 0.00 H new ATOM 0 HG3 GLU B 34 6.627 1.734 -26.813 1.00 0.00 H new ATOM 2043 N LEU B 35 3.240 4.100 -23.544 1.00 0.00 N ATOM 2044 CA LEU B 35 2.491 4.151 -22.260 1.00 0.00 C ATOM 2045 C LEU B 35 1.075 4.668 -22.525 1.00 0.00 C ATOM 2046 O LEU B 35 0.107 4.168 -21.995 1.00 0.00 O ATOM 2047 CB LEU B 35 3.233 5.089 -21.284 1.00 0.00 C ATOM 2048 CG LEU B 35 2.294 5.594 -20.145 1.00 0.00 C ATOM 2049 CD1 LEU B 35 3.070 5.716 -18.831 1.00 0.00 C ATOM 2050 CD2 LEU B 35 1.693 6.974 -20.496 1.00 0.00 C ATOM 0 H LEU B 35 3.987 4.787 -23.647 1.00 0.00 H new ATOM 0 HA LEU B 35 2.427 3.156 -21.819 1.00 0.00 H new ATOM 0 HB2 LEU B 35 4.083 4.563 -20.849 1.00 0.00 H new ATOM 0 HB3 LEU B 35 3.632 5.942 -21.832 1.00 0.00 H new ATOM 0 HG LEU B 35 1.489 4.868 -20.034 1.00 0.00 H new ATOM 0 HD11 LEU B 35 2.402 6.069 -18.045 1.00 0.00 H new ATOM 0 HD12 LEU B 35 3.472 4.741 -18.554 1.00 0.00 H new ATOM 0 HD13 LEU B 35 3.889 6.424 -18.957 1.00 0.00 H new ATOM 0 HD21 LEU B 35 1.042 7.304 -19.686 1.00 0.00 H new ATOM 0 HD22 LEU B 35 2.497 7.697 -20.633 1.00 0.00 H new ATOM 0 HD23 LEU B 35 1.115 6.896 -21.417 1.00 0.00 H new ATOM 2062 N ILE B 36 0.955 5.693 -23.313 1.00 0.00 N ATOM 2063 CA ILE B 36 -0.385 6.281 -23.576 1.00 0.00 C ATOM 2064 C ILE B 36 -1.266 5.365 -24.427 1.00 0.00 C ATOM 2065 O ILE B 36 -2.450 5.251 -24.186 1.00 0.00 O ATOM 2066 CB ILE B 36 -0.210 7.624 -24.286 1.00 0.00 C ATOM 2067 CG1 ILE B 36 0.593 8.570 -23.384 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -1.587 8.227 -24.581 1.00 0.00 C ATOM 2069 CD1 ILE B 36 0.946 9.848 -24.149 1.00 0.00 C ATOM 0 H ILE B 36 1.731 6.153 -23.790 1.00 0.00 H new ATOM 0 HA ILE B 36 -0.885 6.413 -22.616 1.00 0.00 H new ATOM 0 HB ILE B 36 0.325 7.480 -25.225 1.00 0.00 H new ATOM 0 HG12 ILE B 36 0.013 8.817 -22.495 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.503 8.076 -23.044 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -1.464 9.185 -25.087 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.152 7.549 -25.220 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.126 8.378 -23.646 1.00 0.00 H new ATOM 0 HD11 ILE B 36 1.516 10.514 -23.501 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.543 9.595 -25.025 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.030 10.347 -24.466 1.00 0.00 H new ATOM 2081 N ASN B 37 -0.733 4.736 -25.437 1.00 0.00 N ATOM 2082 CA ASN B 37 -1.608 3.872 -26.291 1.00 0.00 C ATOM 2083 C ASN B 37 -1.786 2.475 -25.693 1.00 0.00 C ATOM 2084 O ASN B 37 -2.807 1.842 -25.877 1.00 0.00 O ATOM 2085 CB ASN B 37 -0.988 3.749 -27.686 1.00 0.00 C ATOM 2086 CG ASN B 37 -1.841 2.813 -28.545 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -1.374 1.783 -28.989 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -3.081 3.129 -28.797 1.00 0.00 N ATOM 0 H ASN B 37 0.249 4.778 -25.708 1.00 0.00 H new ATOM 0 HA ASN B 37 -2.591 4.341 -26.348 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -0.923 4.731 -28.154 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.029 3.364 -27.611 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -3.659 2.511 -29.367 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.473 3.994 -28.424 1.00 0.00 H new ATOM 2095 N ASN B 38 -0.786 1.968 -25.029 1.00 0.00 N ATOM 2096 CA ASN B 38 -0.870 0.572 -24.468 1.00 0.00 C ATOM 2097 C ASN B 38 -1.181 0.529 -22.965 1.00 0.00 C ATOM 2098 O ASN B 38 -1.858 -0.368 -22.504 1.00 0.00 O ATOM 2099 CB ASN B 38 0.463 -0.140 -24.716 1.00 0.00 C ATOM 2100 CG ASN B 38 0.294 -1.648 -24.504 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -0.889 -2.135 -24.234 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 1.251 -2.393 -24.578 1.00 0.00 N flip ATOM 0 H ASN B 38 0.092 2.454 -24.845 1.00 0.00 H new ATOM 0 HA ASN B 38 -1.697 0.076 -24.976 1.00 0.00 H new ATOM 0 HB2 ASN B 38 0.808 0.057 -25.731 1.00 0.00 H new ATOM 0 HB3 ASN B 38 1.224 0.248 -24.040 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.175 -2.017 -24.788 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.130 -3.395 -24.430 1.00 0.00 H new ATOM 2109 N GLU B 39 -0.667 1.438 -22.180 1.00 0.00 N ATOM 2110 CA GLU B 39 -0.922 1.358 -20.704 1.00 0.00 C ATOM 2111 C GLU B 39 -2.233 2.056 -20.347 1.00 0.00 C ATOM 2112 O GLU B 39 -2.786 1.838 -19.287 1.00 0.00 O ATOM 2113 CB GLU B 39 0.235 2.024 -19.947 1.00 0.00 C ATOM 2114 CG GLU B 39 0.256 1.539 -18.495 1.00 0.00 C ATOM 2115 CD GLU B 39 1.424 2.199 -17.760 1.00 0.00 C ATOM 2116 OE1 GLU B 39 2.503 1.627 -17.769 1.00 0.00 O ATOM 2117 OE2 GLU B 39 1.221 3.263 -17.199 1.00 0.00 O ATOM 0 H GLU B 39 -0.090 2.222 -22.486 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.995 0.309 -20.418 1.00 0.00 H new ATOM 0 HB2 GLU B 39 1.182 1.788 -20.432 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.124 3.108 -19.976 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.685 1.786 -18.003 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.357 0.454 -18.463 1.00 0.00 H new ATOM 2124 N LEU B 40 -2.736 2.889 -21.218 1.00 0.00 N ATOM 2125 CA LEU B 40 -4.019 3.606 -20.933 1.00 0.00 C ATOM 2126 C LEU B 40 -5.088 3.109 -21.899 1.00 0.00 C ATOM 2127 O LEU B 40 -5.645 3.869 -22.657 1.00 0.00 O ATOM 2128 CB LEU B 40 -3.821 5.110 -21.131 1.00 0.00 C ATOM 2129 CG LEU B 40 -2.574 5.573 -20.367 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -2.430 7.099 -20.483 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -2.692 5.171 -18.888 1.00 0.00 C ATOM 0 H LEU B 40 -2.313 3.107 -22.120 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.326 3.414 -19.905 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -3.714 5.336 -22.192 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.698 5.652 -20.777 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.693 5.098 -20.797 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.543 7.423 -19.939 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.333 7.377 -21.533 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.311 7.581 -20.060 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.804 5.502 -18.349 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.576 5.638 -18.453 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.780 4.087 -18.811 1.00 0.00 H new ATOM 2143 N SER B 41 -5.368 1.835 -21.890 1.00 0.00 N ATOM 2144 CA SER B 41 -6.393 1.295 -22.828 1.00 0.00 C ATOM 2145 C SER B 41 -7.748 1.966 -22.575 1.00 0.00 C ATOM 2146 O SER B 41 -8.467 2.286 -23.500 1.00 0.00 O ATOM 2147 CB SER B 41 -6.529 -0.211 -22.610 1.00 0.00 C ATOM 2148 OG SER B 41 -5.329 -0.854 -23.015 1.00 0.00 O ATOM 0 H SER B 41 -4.933 1.146 -21.276 1.00 0.00 H new ATOM 0 HA SER B 41 -6.081 1.498 -23.852 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.731 -0.421 -21.560 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.373 -0.598 -23.181 1.00 0.00 H new ATOM 0 HG SER B 41 -5.412 -1.820 -22.875 1.00 0.00 H new ATOM 2154 N HIS B 42 -8.105 2.188 -21.334 1.00 0.00 N ATOM 2155 CA HIS B 42 -9.420 2.848 -21.033 1.00 0.00 C ATOM 2156 C HIS B 42 -9.270 3.818 -19.856 1.00 0.00 C ATOM 2157 O HIS B 42 -10.169 4.577 -19.552 1.00 0.00 O ATOM 2158 CB HIS B 42 -10.457 1.784 -20.674 1.00 0.00 C ATOM 2159 CG HIS B 42 -11.769 2.454 -20.368 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -12.483 3.156 -21.330 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -12.509 2.540 -19.214 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -13.598 3.628 -20.743 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -13.660 3.281 -19.456 1.00 0.00 N ATOM 0 H HIS B 42 -7.547 1.943 -20.516 1.00 0.00 H new ATOM 0 HA HIS B 42 -9.744 3.400 -21.915 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.577 1.083 -21.500 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.120 1.207 -19.813 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -12.238 2.100 -18.265 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.349 4.215 -21.250 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.397 3.511 -18.790 1.00 0.00 H new ATOM 2172 N PHE B 43 -8.153 3.795 -19.183 1.00 0.00 N ATOM 2173 CA PHE B 43 -7.962 4.709 -18.024 1.00 0.00 C ATOM 2174 C PHE B 43 -7.828 6.156 -18.515 1.00 0.00 C ATOM 2175 O PHE B 43 -8.207 7.087 -17.831 1.00 0.00 O ATOM 2176 CB PHE B 43 -6.712 4.288 -17.243 1.00 0.00 C ATOM 2177 CG PHE B 43 -6.602 5.109 -15.976 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -7.590 5.008 -14.986 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -5.518 5.979 -15.793 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -7.491 5.772 -13.819 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.423 6.743 -14.627 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.409 6.640 -13.639 1.00 0.00 C ATOM 0 H PHE B 43 -7.364 3.182 -19.386 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.828 4.648 -17.365 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.765 3.227 -16.997 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.823 4.429 -17.857 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.427 4.340 -15.125 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -4.756 6.059 -16.554 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.251 5.692 -13.056 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.588 7.414 -14.488 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.334 7.231 -12.738 1.00 0.00 H new ATOM 2192 N LEU B 44 -7.305 6.357 -19.699 1.00 0.00 N ATOM 2193 CA LEU B 44 -7.161 7.743 -20.242 1.00 0.00 C ATOM 2194 C LEU B 44 -7.470 7.687 -21.735 1.00 0.00 C ATOM 2195 O LEU B 44 -7.520 6.621 -22.316 1.00 0.00 O ATOM 2196 CB LEU B 44 -5.721 8.250 -20.023 1.00 0.00 C ATOM 2197 CG LEU B 44 -5.705 9.794 -19.952 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -6.009 10.257 -18.521 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -4.326 10.328 -20.367 1.00 0.00 C ATOM 0 H LEU B 44 -6.970 5.617 -20.316 1.00 0.00 H new ATOM 0 HA LEU B 44 -7.843 8.425 -19.733 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.316 7.832 -19.101 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -5.080 7.909 -20.836 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.465 10.179 -20.632 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.996 11.346 -18.480 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -6.993 9.895 -18.223 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.255 9.859 -17.842 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.326 11.417 -20.313 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.565 9.932 -19.695 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.107 10.015 -21.388 1.00 0.00 H new ATOM 2211 N GLU B 45 -7.687 8.803 -22.371 1.00 0.00 N ATOM 2212 CA GLU B 45 -7.997 8.737 -23.819 1.00 0.00 C ATOM 2213 C GLU B 45 -6.772 8.229 -24.580 1.00 0.00 C ATOM 2214 O GLU B 45 -5.712 8.818 -24.561 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.446 10.119 -24.344 1.00 0.00 C ATOM 2216 CG GLU B 45 -7.254 11.040 -24.664 1.00 0.00 C ATOM 2217 CD GLU B 45 -6.358 11.184 -23.431 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -6.858 11.634 -22.414 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -5.187 10.854 -23.527 1.00 0.00 O ATOM 0 H GLU B 45 -7.664 9.736 -21.960 1.00 0.00 H new ATOM 0 HA GLU B 45 -8.821 8.042 -23.979 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.050 9.985 -25.242 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -9.083 10.598 -23.600 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -6.680 10.630 -25.495 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -7.615 12.019 -24.978 1.00 0.00 H new ATOM 2226 N GLU B 46 -6.915 7.123 -25.243 1.00 0.00 N ATOM 2227 CA GLU B 46 -5.772 6.562 -26.014 1.00 0.00 C ATOM 2228 C GLU B 46 -5.431 7.479 -27.180 1.00 0.00 C ATOM 2229 O GLU B 46 -6.274 8.175 -27.710 1.00 0.00 O ATOM 2230 CB GLU B 46 -6.138 5.182 -26.577 1.00 0.00 C ATOM 2231 CG GLU B 46 -5.954 4.122 -25.509 1.00 0.00 C ATOM 2232 CD GLU B 46 -6.320 2.755 -26.086 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -7.477 2.382 -25.989 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -5.436 2.103 -26.616 1.00 0.00 O ATOM 0 H GLU B 46 -7.776 6.578 -25.287 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.918 6.474 -25.343 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -7.171 5.184 -26.925 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.512 4.954 -27.439 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.922 4.117 -25.159 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.582 4.345 -24.647 1.00 0.00 H new ATOM 2241 N ILE B 47 -4.196 7.450 -27.601 1.00 0.00 N ATOM 2242 CA ILE B 47 -3.767 8.277 -28.762 1.00 0.00 C ATOM 2243 C ILE B 47 -3.661 7.365 -29.986 1.00 0.00 C ATOM 2244 O ILE B 47 -3.070 6.306 -29.932 1.00 0.00 O ATOM 2245 CB ILE B 47 -2.417 8.925 -28.454 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -2.631 10.010 -27.391 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -1.841 9.534 -29.733 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -1.293 10.632 -26.997 1.00 0.00 C ATOM 0 H ILE B 47 -3.459 6.882 -27.184 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.490 9.069 -28.959 1.00 0.00 H new ATOM 0 HB ILE B 47 -1.713 8.182 -28.078 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -3.299 10.780 -27.776 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -3.113 9.580 -26.513 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -0.878 9.996 -29.514 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.707 8.752 -30.480 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -2.527 10.289 -30.118 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -1.457 11.401 -26.242 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.638 9.860 -26.592 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -0.827 11.080 -27.875 1.00 0.00 H new ATOM 2260 N LYS B 48 -4.262 7.756 -31.079 1.00 0.00 N ATOM 2261 CA LYS B 48 -4.241 6.906 -32.311 1.00 0.00 C ATOM 2262 C LYS B 48 -3.306 7.521 -33.356 1.00 0.00 C ATOM 2263 O LYS B 48 -2.853 6.844 -34.258 1.00 0.00 O ATOM 2264 CB LYS B 48 -5.672 6.827 -32.877 1.00 0.00 C ATOM 2265 CG LYS B 48 -6.705 6.743 -31.735 1.00 0.00 C ATOM 2266 CD LYS B 48 -6.543 5.440 -30.942 1.00 0.00 C ATOM 2267 CE LYS B 48 -7.346 5.535 -29.645 1.00 0.00 C ATOM 2268 NZ LYS B 48 -8.770 5.848 -29.957 1.00 0.00 N ATOM 0 H LYS B 48 -4.771 8.635 -31.174 1.00 0.00 H new ATOM 0 HA LYS B 48 -3.880 5.908 -32.064 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -5.874 7.703 -33.493 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -5.765 5.954 -33.524 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -6.585 7.596 -31.068 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -7.713 6.800 -32.146 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.889 4.594 -31.536 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -5.490 5.265 -30.720 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.282 4.595 -29.097 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.926 6.308 -29.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -9.391 5.324 -29.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -8.934 6.869 -29.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -8.980 5.570 -30.937 1.00 0.00 H new ATOM 2282 N GLU B 49 -3.012 8.796 -33.245 1.00 0.00 N ATOM 2283 CA GLU B 49 -2.104 9.461 -34.233 1.00 0.00 C ATOM 2284 C GLU B 49 -0.876 10.006 -33.493 1.00 0.00 C ATOM 2285 O GLU B 49 -0.979 10.540 -32.407 1.00 0.00 O ATOM 2286 CB GLU B 49 -2.860 10.607 -34.909 1.00 0.00 C ATOM 2287 CG GLU B 49 -2.054 11.126 -36.102 1.00 0.00 C ATOM 2288 CD GLU B 49 -2.053 10.075 -37.214 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -2.925 9.221 -37.196 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -1.182 10.141 -38.065 1.00 0.00 O ATOM 0 H GLU B 49 -3.364 9.407 -32.508 1.00 0.00 H new ATOM 0 HA GLU B 49 -1.780 8.747 -34.990 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.839 10.263 -35.242 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.031 11.413 -34.195 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.485 12.058 -36.468 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.032 11.347 -35.795 1.00 0.00 H new ATOM 2297 N GLN B 50 0.284 9.856 -34.071 1.00 0.00 N ATOM 2298 CA GLN B 50 1.536 10.340 -33.412 1.00 0.00 C ATOM 2299 C GLN B 50 1.523 11.866 -33.288 1.00 0.00 C ATOM 2300 O GLN B 50 2.224 12.428 -32.476 1.00 0.00 O ATOM 2301 CB GLN B 50 2.742 9.929 -34.259 1.00 0.00 C ATOM 2302 CG GLN B 50 2.845 8.404 -34.313 1.00 0.00 C ATOM 2303 CD GLN B 50 3.234 7.855 -32.938 1.00 0.00 C ATOM 2304 OE1 GLN B 50 2.865 6.751 -32.588 1.00 0.00 O ATOM 2305 NE2 GLN B 50 3.971 8.576 -32.138 1.00 0.00 N ATOM 0 H GLN B 50 0.422 9.415 -34.980 1.00 0.00 H new ATOM 0 HA GLN B 50 1.599 9.899 -32.417 1.00 0.00 H new ATOM 0 HB2 GLN B 50 2.643 10.331 -35.267 1.00 0.00 H new ATOM 0 HB3 GLN B 50 3.655 10.349 -33.836 1.00 0.00 H new ATOM 0 HG2 GLN B 50 1.892 7.978 -34.627 1.00 0.00 H new ATOM 0 HG3 GLN B 50 3.587 8.108 -35.055 1.00 0.00 H new ATOM 0 HE21 GLN B 50 4.282 9.503 -32.428 1.00 0.00 H new ATOM 0 HE22 GLN B 50 4.236 8.213 -31.222 1.00 0.00 H new ATOM 2314 N GLU B 51 0.754 12.542 -34.097 1.00 0.00 N ATOM 2315 CA GLU B 51 0.728 14.036 -34.032 1.00 0.00 C ATOM 2316 C GLU B 51 0.280 14.490 -32.648 1.00 0.00 C ATOM 2317 O GLU B 51 0.786 15.454 -32.119 1.00 0.00 O ATOM 2318 CB GLU B 51 -0.232 14.582 -35.100 1.00 0.00 C ATOM 2319 CG GLU B 51 -1.696 14.297 -34.705 1.00 0.00 C ATOM 2320 CD GLU B 51 -2.267 15.463 -33.885 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -1.486 16.235 -33.354 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -3.480 15.571 -33.817 1.00 0.00 O ATOM 0 H GLU B 51 0.142 12.128 -34.800 1.00 0.00 H new ATOM 0 HA GLU B 51 1.730 14.420 -34.221 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.083 15.655 -35.217 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.013 14.123 -36.064 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -2.298 14.145 -35.601 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.750 13.376 -34.125 1.00 0.00 H new ATOM 2329 N VAL B 52 -0.655 13.812 -32.052 1.00 0.00 N ATOM 2330 CA VAL B 52 -1.106 14.225 -30.699 1.00 0.00 C ATOM 2331 C VAL B 52 0.089 14.159 -29.773 1.00 0.00 C ATOM 2332 O VAL B 52 0.273 14.997 -28.922 1.00 0.00 O ATOM 2333 CB VAL B 52 -2.200 13.282 -30.200 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -2.623 13.688 -28.787 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -3.403 13.360 -31.139 1.00 0.00 C ATOM 0 H VAL B 52 -1.125 12.994 -32.440 1.00 0.00 H new ATOM 0 HA VAL B 52 -1.513 15.236 -30.728 1.00 0.00 H new ATOM 0 HB VAL B 52 -1.819 12.261 -30.181 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.403 13.014 -28.433 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -1.763 13.630 -28.119 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.004 14.709 -28.801 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -4.185 12.688 -30.785 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.784 14.381 -31.159 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.100 13.066 -32.144 1.00 0.00 H new ATOM 2345 N VAL B 53 0.899 13.162 -29.941 1.00 0.00 N ATOM 2346 CA VAL B 53 2.099 13.016 -29.087 1.00 0.00 C ATOM 2347 C VAL B 53 3.060 14.174 -29.343 1.00 0.00 C ATOM 2348 O VAL B 53 3.725 14.635 -28.447 1.00 0.00 O ATOM 2349 CB VAL B 53 2.792 11.704 -29.419 1.00 0.00 C ATOM 2350 CG1 VAL B 53 3.912 11.452 -28.419 1.00 0.00 C ATOM 2351 CG2 VAL B 53 1.784 10.570 -29.343 1.00 0.00 C ATOM 0 H VAL B 53 0.779 12.432 -30.643 1.00 0.00 H new ATOM 0 HA VAL B 53 1.800 13.022 -28.039 1.00 0.00 H new ATOM 0 HB VAL B 53 3.209 11.757 -30.425 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.408 10.511 -28.658 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.635 12.266 -28.469 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.496 11.398 -27.413 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.278 9.628 -29.581 1.00 0.00 H new ATOM 0 HG22 VAL B 53 1.369 10.519 -28.336 1.00 0.00 H new ATOM 0 HG23 VAL B 53 0.981 10.749 -30.058 1.00 0.00 H new ATOM 2361 N ASP B 54 3.151 14.631 -30.563 1.00 0.00 N ATOM 2362 CA ASP B 54 4.076 15.757 -30.877 1.00 0.00 C ATOM 2363 C ASP B 54 3.613 17.011 -30.137 1.00 0.00 C ATOM 2364 O ASP B 54 4.395 17.791 -29.635 1.00 0.00 O ATOM 2365 CB ASP B 54 4.075 16.027 -32.384 1.00 0.00 C ATOM 2366 CG ASP B 54 4.766 14.874 -33.114 1.00 0.00 C ATOM 2367 OD1 ASP B 54 5.504 14.149 -32.468 1.00 0.00 O ATOM 2368 OD2 ASP B 54 4.543 14.735 -34.305 1.00 0.00 O ATOM 0 H ASP B 54 2.623 14.271 -31.358 1.00 0.00 H new ATOM 0 HA ASP B 54 5.085 15.493 -30.561 1.00 0.00 H new ATOM 0 HB2 ASP B 54 3.052 16.136 -32.743 1.00 0.00 H new ATOM 0 HB3 ASP B 54 4.589 16.965 -32.596 1.00 0.00 H new ATOM 2373 N LYS B 55 2.336 17.203 -30.077 1.00 0.00 N ATOM 2374 CA LYS B 55 1.782 18.390 -29.375 1.00 0.00 C ATOM 2375 C LYS B 55 2.078 18.234 -27.890 1.00 0.00 C ATOM 2376 O LYS B 55 2.443 19.169 -27.201 1.00 0.00 O ATOM 2377 CB LYS B 55 0.273 18.456 -29.609 1.00 0.00 C ATOM 2378 CG LYS B 55 -0.283 19.755 -29.025 1.00 0.00 C ATOM 2379 CD LYS B 55 -1.742 19.921 -29.456 1.00 0.00 C ATOM 2380 CE LYS B 55 -2.396 21.023 -28.622 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.712 21.387 -29.218 1.00 0.00 N ATOM 0 H LYS B 55 1.639 16.583 -30.488 1.00 0.00 H new ATOM 0 HA LYS B 55 2.232 19.309 -29.750 1.00 0.00 H new ATOM 0 HB2 LYS B 55 0.058 18.405 -30.676 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -0.215 17.599 -29.144 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -0.213 19.737 -27.937 1.00 0.00 H new ATOM 0 HG3 LYS B 55 0.308 20.604 -29.369 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.793 20.173 -30.515 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.280 18.982 -29.325 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.532 20.684 -27.595 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -1.748 21.898 -28.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.155 22.137 -28.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.570 21.728 -30.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.330 20.551 -29.231 1.00 0.00 H new ATOM 2395 N VAL B 56 1.941 17.035 -27.408 1.00 0.00 N ATOM 2396 CA VAL B 56 2.225 16.755 -25.981 1.00 0.00 C ATOM 2397 C VAL B 56 3.715 16.968 -25.751 1.00 0.00 C ATOM 2398 O VAL B 56 4.149 17.329 -24.676 1.00 0.00 O ATOM 2399 CB VAL B 56 1.833 15.309 -25.661 1.00 0.00 C ATOM 2400 CG1 VAL B 56 2.336 14.923 -24.270 1.00 0.00 C ATOM 2401 CG2 VAL B 56 0.312 15.186 -25.688 1.00 0.00 C ATOM 0 H VAL B 56 1.640 16.226 -27.952 1.00 0.00 H new ATOM 0 HA VAL B 56 1.653 17.417 -25.331 1.00 0.00 H new ATOM 0 HB VAL B 56 2.280 14.646 -26.402 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.052 13.893 -24.053 1.00 0.00 H new ATOM 0 HG12 VAL B 56 3.422 15.014 -24.237 1.00 0.00 H new ATOM 0 HG13 VAL B 56 1.894 15.586 -23.526 1.00 0.00 H new ATOM 0 HG21 VAL B 56 0.026 14.159 -25.461 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.120 15.856 -24.945 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -0.057 15.455 -26.678 1.00 0.00 H new ATOM 2411 N MET B 57 4.501 16.759 -26.773 1.00 0.00 N ATOM 2412 CA MET B 57 5.967 16.961 -26.635 1.00 0.00 C ATOM 2413 C MET B 57 6.227 18.454 -26.468 1.00 0.00 C ATOM 2414 O MET B 57 7.130 18.859 -25.783 1.00 0.00 O ATOM 2415 CB MET B 57 6.707 16.429 -27.885 1.00 0.00 C ATOM 2416 CG MET B 57 7.161 14.948 -27.711 1.00 0.00 C ATOM 2417 SD MET B 57 8.981 14.875 -27.842 1.00 0.00 S ATOM 2418 CE MET B 57 9.396 13.917 -26.354 1.00 0.00 C ATOM 0 H MET B 57 4.189 16.457 -27.696 1.00 0.00 H new ATOM 0 HA MET B 57 6.337 16.414 -25.768 1.00 0.00 H new ATOM 0 HB2 MET B 57 6.053 16.508 -28.754 1.00 0.00 H new ATOM 0 HB3 MET B 57 7.578 17.054 -28.084 1.00 0.00 H new ATOM 0 HG2 MET B 57 6.836 14.564 -26.744 1.00 0.00 H new ATOM 0 HG3 MET B 57 6.702 14.320 -28.474 1.00 0.00 H new ATOM 0 HE1 MET B 57 9.983 14.536 -25.675 1.00 0.00 H new ATOM 0 HE2 MET B 57 8.479 13.602 -25.857 1.00 0.00 H new ATOM 0 HE3 MET B 57 9.976 13.038 -26.637 1.00 0.00 H new ATOM 2428 N GLU B 58 5.439 19.290 -27.066 1.00 0.00 N ATOM 2429 CA GLU B 58 5.689 20.740 -26.889 1.00 0.00 C ATOM 2430 C GLU B 58 5.614 21.027 -25.391 1.00 0.00 C ATOM 2431 O GLU B 58 6.390 21.785 -24.844 1.00 0.00 O ATOM 2432 CB GLU B 58 4.617 21.544 -27.631 1.00 0.00 C ATOM 2433 CG GLU B 58 4.888 23.041 -27.463 1.00 0.00 C ATOM 2434 CD GLU B 58 3.815 23.842 -28.206 1.00 0.00 C ATOM 2435 OE1 GLU B 58 3.052 23.236 -28.939 1.00 0.00 O ATOM 2436 OE2 GLU B 58 3.775 25.049 -28.029 1.00 0.00 O ATOM 0 H GLU B 58 4.647 19.042 -27.659 1.00 0.00 H new ATOM 0 HA GLU B 58 6.663 21.022 -27.289 1.00 0.00 H new ATOM 0 HB2 GLU B 58 4.618 21.281 -28.689 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.629 21.297 -27.242 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.887 23.305 -26.405 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.876 23.288 -27.852 1.00 0.00 H new ATOM 2443 N THR B 59 4.680 20.408 -24.729 1.00 0.00 N ATOM 2444 CA THR B 59 4.532 20.613 -23.264 1.00 0.00 C ATOM 2445 C THR B 59 5.593 19.827 -22.478 1.00 0.00 C ATOM 2446 O THR B 59 6.196 20.341 -21.557 1.00 0.00 O ATOM 2447 CB THR B 59 3.136 20.140 -22.848 1.00 0.00 C ATOM 2448 OG1 THR B 59 2.158 20.875 -23.571 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.916 20.350 -21.345 1.00 0.00 C ATOM 0 H THR B 59 4.007 19.763 -25.144 1.00 0.00 H new ATOM 0 HA THR B 59 4.666 21.671 -23.041 1.00 0.00 H new ATOM 0 HB THR B 59 3.048 19.076 -23.069 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.263 20.574 -23.309 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.918 20.007 -21.072 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.660 19.783 -20.786 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.013 21.409 -21.108 1.00 0.00 H new ATOM 2457 N LEU B 60 5.804 18.575 -22.802 1.00 0.00 N ATOM 2458 CA LEU B 60 6.796 17.755 -22.037 1.00 0.00 C ATOM 2459 C LEU B 60 8.199 17.864 -22.634 1.00 0.00 C ATOM 2460 O LEU B 60 9.170 17.517 -21.992 1.00 0.00 O ATOM 2461 CB LEU B 60 6.343 16.286 -22.039 1.00 0.00 C ATOM 2462 CG LEU B 60 5.243 16.085 -20.977 1.00 0.00 C ATOM 2463 CD1 LEU B 60 4.563 14.718 -21.174 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.854 16.177 -19.549 1.00 0.00 C ATOM 0 H LEU B 60 5.333 18.085 -23.563 1.00 0.00 H new ATOM 0 HA LEU B 60 6.841 18.135 -21.017 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.966 16.012 -23.024 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.190 15.633 -21.829 1.00 0.00 H new ATOM 0 HG LEU B 60 4.496 16.871 -21.091 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.788 14.585 -20.419 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.115 14.674 -22.167 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.305 13.925 -21.076 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.068 16.034 -18.807 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.613 15.404 -19.428 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.309 17.158 -19.410 1.00 0.00 H new ATOM 2476 N ASP B 61 8.340 18.348 -23.834 1.00 0.00 N ATOM 2477 CA ASP B 61 9.718 18.469 -24.400 1.00 0.00 C ATOM 2478 C ASP B 61 10.317 19.750 -23.853 1.00 0.00 C ATOM 2479 O ASP B 61 10.667 20.658 -24.580 1.00 0.00 O ATOM 2480 CB ASP B 61 9.700 18.513 -25.931 1.00 0.00 C ATOM 2481 CG ASP B 61 11.124 18.312 -26.452 1.00 0.00 C ATOM 2482 OD1 ASP B 61 12.030 18.257 -25.635 1.00 0.00 O ATOM 2483 OD2 ASP B 61 11.285 18.219 -27.658 1.00 0.00 O ATOM 0 H ASP B 61 7.581 18.660 -24.440 1.00 0.00 H new ATOM 0 HA ASP B 61 10.309 17.599 -24.115 1.00 0.00 H new ATOM 0 HB2 ASP B 61 9.043 17.736 -26.322 1.00 0.00 H new ATOM 0 HB3 ASP B 61 9.304 19.468 -26.276 1.00 0.00 H new ATOM 2488 N GLU B 62 10.415 19.826 -22.563 1.00 0.00 N ATOM 2489 CA GLU B 62 10.965 21.044 -21.923 1.00 0.00 C ATOM 2490 C GLU B 62 12.387 21.265 -22.432 1.00 0.00 C ATOM 2491 O GLU B 62 12.816 22.381 -22.649 1.00 0.00 O ATOM 2492 CB GLU B 62 10.986 20.841 -20.411 1.00 0.00 C ATOM 2493 CG GLU B 62 9.608 20.366 -19.937 1.00 0.00 C ATOM 2494 CD GLU B 62 9.632 20.200 -18.416 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.712 20.271 -17.852 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.573 20.008 -17.842 1.00 0.00 O ATOM 0 H GLU B 62 10.135 19.088 -21.917 1.00 0.00 H new ATOM 0 HA GLU B 62 10.350 21.911 -22.165 1.00 0.00 H new ATOM 0 HB2 GLU B 62 11.747 20.108 -20.143 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.252 21.773 -19.912 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.842 21.087 -20.225 1.00 0.00 H new ATOM 0 HG3 GLU B 62 9.351 19.420 -20.415 1.00 0.00 H new ATOM 2503 N ASP B 63 13.118 20.208 -22.635 1.00 0.00 N ATOM 2504 CA ASP B 63 14.508 20.351 -23.143 1.00 0.00 C ATOM 2505 C ASP B 63 14.450 20.641 -24.643 1.00 0.00 C ATOM 2506 O ASP B 63 15.441 20.976 -25.262 1.00 0.00 O ATOM 2507 CB ASP B 63 15.271 19.049 -22.903 1.00 0.00 C ATOM 2508 CG ASP B 63 15.303 18.748 -21.405 1.00 0.00 C ATOM 2509 OD1 ASP B 63 15.438 19.684 -20.635 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.190 17.586 -21.053 1.00 0.00 O ATOM 0 H ASP B 63 12.812 19.249 -22.471 1.00 0.00 H new ATOM 0 HA ASP B 63 15.016 21.165 -22.625 1.00 0.00 H new ATOM 0 HB2 ASP B 63 14.792 18.230 -23.440 1.00 0.00 H new ATOM 0 HB3 ASP B 63 16.287 19.133 -23.290 1.00 0.00 H new ATOM 2515 N GLY B 64 13.288 20.518 -25.228 1.00 0.00 N ATOM 2516 CA GLY B 64 13.155 20.792 -26.690 1.00 0.00 C ATOM 2517 C GLY B 64 14.066 19.846 -27.475 1.00 0.00 C ATOM 2518 O GLY B 64 14.556 20.185 -28.534 1.00 0.00 O ATOM 0 H GLY B 64 12.426 20.240 -24.758 1.00 0.00 H new ATOM 0 HA2 GLY B 64 12.119 20.658 -27.002 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.421 21.828 -26.902 1.00 0.00 H new ATOM 2522 N ASP B 65 14.305 18.663 -26.957 1.00 0.00 N ATOM 2523 CA ASP B 65 15.194 17.681 -27.659 1.00 0.00 C ATOM 2524 C ASP B 65 14.357 16.547 -28.253 1.00 0.00 C ATOM 2525 O ASP B 65 14.886 15.556 -28.717 1.00 0.00 O ATOM 2526 CB ASP B 65 16.192 17.107 -26.652 1.00 0.00 C ATOM 2527 CG ASP B 65 15.435 16.413 -25.520 1.00 0.00 C ATOM 2528 OD1 ASP B 65 14.240 16.634 -25.412 1.00 0.00 O ATOM 2529 OD2 ASP B 65 16.064 15.681 -24.775 1.00 0.00 O ATOM 0 H ASP B 65 13.919 18.334 -26.072 1.00 0.00 H new ATOM 0 HA ASP B 65 15.727 18.185 -28.465 1.00 0.00 H new ATOM 0 HB2 ASP B 65 16.857 16.399 -27.147 1.00 0.00 H new ATOM 0 HB3 ASP B 65 16.818 17.904 -26.250 1.00 0.00 H new ATOM 2534 N GLY B 66 13.059 16.673 -28.234 1.00 0.00 N ATOM 2535 CA GLY B 66 12.200 15.589 -28.788 1.00 0.00 C ATOM 2536 C GLY B 66 12.269 14.382 -27.847 1.00 0.00 C ATOM 2537 O GLY B 66 11.969 13.263 -28.214 1.00 0.00 O ATOM 0 H GLY B 66 12.557 17.478 -27.860 1.00 0.00 H new ATOM 0 HA2 GLY B 66 11.171 15.934 -28.885 1.00 0.00 H new ATOM 0 HA3 GLY B 66 12.539 15.311 -29.786 1.00 0.00 H new ATOM 2541 N GLU B 67 12.683 14.621 -26.636 1.00 0.00 N ATOM 2542 CA GLU B 67 12.813 13.537 -25.628 1.00 0.00 C ATOM 2543 C GLU B 67 12.577 14.140 -24.234 1.00 0.00 C ATOM 2544 O GLU B 67 13.223 15.095 -23.849 1.00 0.00 O ATOM 2545 CB GLU B 67 14.232 12.969 -25.724 1.00 0.00 C ATOM 2546 CG GLU B 67 14.428 11.846 -24.711 1.00 0.00 C ATOM 2547 CD GLU B 67 15.851 11.303 -24.841 1.00 0.00 C ATOM 2548 OE1 GLU B 67 16.763 12.105 -24.956 1.00 0.00 O ATOM 2549 OE2 GLU B 67 16.003 10.095 -24.836 1.00 0.00 O ATOM 0 H GLU B 67 12.943 15.547 -26.295 1.00 0.00 H new ATOM 0 HA GLU B 67 12.088 12.743 -25.804 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.412 12.594 -26.731 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.960 13.760 -25.544 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.257 12.216 -23.700 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.704 11.050 -24.886 1.00 0.00 H new ATOM 2556 N CYS B 68 11.662 13.595 -23.473 1.00 0.00 N ATOM 2557 CA CYS B 68 11.384 14.132 -22.104 1.00 0.00 C ATOM 2558 C CYS B 68 12.120 13.266 -21.085 1.00 0.00 C ATOM 2559 O CYS B 68 12.042 12.055 -21.106 1.00 0.00 O ATOM 2560 CB CYS B 68 9.864 14.107 -21.842 1.00 0.00 C ATOM 2561 SG CYS B 68 9.100 12.810 -22.847 1.00 0.00 S ATOM 0 H CYS B 68 11.090 12.794 -23.743 1.00 0.00 H new ATOM 0 HA CYS B 68 11.731 15.162 -22.019 1.00 0.00 H new ATOM 0 HB2 CYS B 68 9.669 13.925 -20.785 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.426 15.075 -22.085 1.00 0.00 H new ATOM 0 HG CYS B 68 7.819 12.787 -22.625 1.00 0.00 H new ATOM 2567 N ASP B 69 12.843 13.885 -20.199 1.00 0.00 N ATOM 2568 CA ASP B 69 13.600 13.114 -19.181 1.00 0.00 C ATOM 2569 C ASP B 69 12.631 12.498 -18.178 1.00 0.00 C ATOM 2570 O ASP B 69 11.505 12.931 -18.038 1.00 0.00 O ATOM 2571 CB ASP B 69 14.570 14.051 -18.460 1.00 0.00 C ATOM 2572 CG ASP B 69 15.693 14.454 -19.417 1.00 0.00 C ATOM 2573 OD1 ASP B 69 15.982 13.682 -20.317 1.00 0.00 O ATOM 2574 OD2 ASP B 69 16.244 15.527 -19.236 1.00 0.00 O ATOM 0 H ASP B 69 12.942 14.898 -20.136 1.00 0.00 H new ATOM 0 HA ASP B 69 14.161 12.316 -19.667 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.042 14.937 -18.107 1.00 0.00 H new ATOM 0 HB3 ASP B 69 14.985 13.557 -17.582 1.00 0.00 H new ATOM 2579 N PHE B 70 13.064 11.489 -17.475 1.00 0.00 N ATOM 2580 CA PHE B 70 12.188 10.833 -16.479 1.00 0.00 C ATOM 2581 C PHE B 70 11.501 11.906 -15.627 1.00 0.00 C ATOM 2582 O PHE B 70 10.344 11.792 -15.301 1.00 0.00 O ATOM 2583 CB PHE B 70 13.064 9.916 -15.612 1.00 0.00 C ATOM 2584 CG PHE B 70 12.386 9.589 -14.299 1.00 0.00 C ATOM 2585 CD1 PHE B 70 11.033 9.237 -14.272 1.00 0.00 C ATOM 2586 CD2 PHE B 70 13.120 9.637 -13.108 1.00 0.00 C ATOM 2587 CE1 PHE B 70 10.415 8.934 -13.057 1.00 0.00 C ATOM 2588 CE2 PHE B 70 12.503 9.334 -11.896 1.00 0.00 C ATOM 2589 CZ PHE B 70 11.149 8.981 -11.866 1.00 0.00 C ATOM 0 H PHE B 70 14.000 11.090 -17.553 1.00 0.00 H new ATOM 0 HA PHE B 70 11.413 10.240 -16.964 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.277 8.994 -16.154 1.00 0.00 H new ATOM 0 HB3 PHE B 70 14.021 10.400 -15.419 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.466 9.199 -15.191 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.165 9.909 -13.129 1.00 0.00 H new ATOM 0 HE1 PHE B 70 9.370 8.663 -13.036 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.071 9.372 -10.978 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.672 8.745 -10.926 1.00 0.00 H new ATOM 2599 N GLN B 71 12.202 12.942 -15.269 1.00 0.00 N ATOM 2600 CA GLN B 71 11.574 14.010 -14.441 1.00 0.00 C ATOM 2601 C GLN B 71 10.508 14.759 -15.258 1.00 0.00 C ATOM 2602 O GLN B 71 9.463 15.105 -14.744 1.00 0.00 O ATOM 2603 CB GLN B 71 12.649 14.991 -13.960 1.00 0.00 C ATOM 2604 CG GLN B 71 13.292 15.685 -15.159 1.00 0.00 C ATOM 2605 CD GLN B 71 14.461 16.547 -14.683 1.00 0.00 C ATOM 2606 OE1 GLN B 71 15.232 16.138 -13.837 1.00 0.00 O ATOM 2607 NE2 GLN B 71 14.622 17.737 -15.191 1.00 0.00 N ATOM 0 H GLN B 71 13.180 13.097 -15.512 1.00 0.00 H new ATOM 0 HA GLN B 71 11.094 13.551 -13.577 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.206 15.732 -13.294 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.408 14.460 -13.386 1.00 0.00 H new ATOM 0 HG2 GLN B 71 13.642 14.943 -15.877 1.00 0.00 H new ATOM 0 HG3 GLN B 71 12.556 16.303 -15.673 1.00 0.00 H new ATOM 0 HE21 GLN B 71 13.975 18.080 -15.901 1.00 0.00 H new ATOM 0 HE22 GLN B 71 15.395 18.325 -14.878 1.00 0.00 H new ATOM 2616 N GLU B 72 10.760 15.027 -16.518 1.00 0.00 N ATOM 2617 CA GLU B 72 9.749 15.766 -17.332 1.00 0.00 C ATOM 2618 C GLU B 72 8.462 14.951 -17.448 1.00 0.00 C ATOM 2619 O GLU B 72 7.365 15.471 -17.333 1.00 0.00 O ATOM 2620 CB GLU B 72 10.312 16.017 -18.733 1.00 0.00 C ATOM 2621 CG GLU B 72 11.424 17.063 -18.678 1.00 0.00 C ATOM 2622 CD GLU B 72 11.972 17.286 -20.088 1.00 0.00 C ATOM 2623 OE1 GLU B 72 11.284 17.911 -20.878 1.00 0.00 O ATOM 2624 OE2 GLU B 72 13.069 16.826 -20.356 1.00 0.00 O ATOM 0 H GLU B 72 11.614 14.768 -17.012 1.00 0.00 H new ATOM 0 HA GLU B 72 9.527 16.714 -16.842 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.699 15.087 -19.149 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.517 16.356 -19.397 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.040 17.999 -18.272 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.221 16.730 -18.013 1.00 0.00 H new ATOM 2631 N PHE B 73 8.584 13.677 -17.664 1.00 0.00 N ATOM 2632 CA PHE B 73 7.368 12.831 -17.781 1.00 0.00 C ATOM 2633 C PHE B 73 6.658 12.787 -16.431 1.00 0.00 C ATOM 2634 O PHE B 73 5.450 12.751 -16.355 1.00 0.00 O ATOM 2635 CB PHE B 73 7.759 11.414 -18.214 1.00 0.00 C ATOM 2636 CG PHE B 73 6.561 10.505 -18.070 1.00 0.00 C ATOM 2637 CD1 PHE B 73 5.620 10.411 -19.099 1.00 0.00 C ATOM 2638 CD2 PHE B 73 6.390 9.770 -16.893 1.00 0.00 C ATOM 2639 CE1 PHE B 73 4.503 9.579 -18.949 1.00 0.00 C ATOM 2640 CE2 PHE B 73 5.278 8.938 -16.743 1.00 0.00 C ATOM 2641 CZ PHE B 73 4.333 8.843 -17.770 1.00 0.00 C ATOM 0 H PHE B 73 9.471 13.183 -17.765 1.00 0.00 H new ATOM 0 HA PHE B 73 6.699 13.254 -18.530 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.105 11.419 -19.247 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.584 11.048 -17.603 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.754 10.979 -20.008 1.00 0.00 H new ATOM 0 HD2 PHE B 73 7.118 9.846 -16.099 1.00 0.00 H new ATOM 0 HE1 PHE B 73 3.774 9.505 -19.742 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.148 8.368 -15.835 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.472 8.202 -17.653 1.00 0.00 H new ATOM 2651 N MET B 74 7.414 12.772 -15.377 1.00 0.00 N ATOM 2652 CA MET B 74 6.825 12.706 -14.013 1.00 0.00 C ATOM 2653 C MET B 74 5.917 13.911 -13.760 1.00 0.00 C ATOM 2654 O MET B 74 4.886 13.803 -13.122 1.00 0.00 O ATOM 2655 CB MET B 74 7.959 12.673 -12.981 1.00 0.00 C ATOM 2656 CG MET B 74 8.538 11.254 -12.899 1.00 0.00 C ATOM 2657 SD MET B 74 7.328 10.152 -12.118 1.00 0.00 S ATOM 2658 CE MET B 74 7.366 10.883 -10.462 1.00 0.00 C ATOM 0 H MET B 74 8.433 12.803 -15.400 1.00 0.00 H new ATOM 0 HA MET B 74 6.221 11.803 -13.925 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.740 13.380 -13.261 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.585 12.981 -12.005 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.784 10.892 -13.897 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.464 11.260 -12.324 1.00 0.00 H new ATOM 0 HE1 MET B 74 7.098 10.127 -9.724 1.00 0.00 H new ATOM 0 HE2 MET B 74 8.368 11.256 -10.252 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.654 11.707 -10.412 1.00 0.00 H new ATOM 2668 N ALA B 75 6.296 15.065 -14.216 1.00 0.00 N ATOM 2669 CA ALA B 75 5.449 16.258 -13.951 1.00 0.00 C ATOM 2670 C ALA B 75 4.113 16.172 -14.702 1.00 0.00 C ATOM 2671 O ALA B 75 3.105 16.684 -14.246 1.00 0.00 O ATOM 2672 CB ALA B 75 6.204 17.529 -14.355 1.00 0.00 C ATOM 0 H ALA B 75 7.145 15.236 -14.755 1.00 0.00 H new ATOM 0 HA ALA B 75 5.229 16.291 -12.884 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.580 18.401 -14.159 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.125 17.605 -13.777 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.445 17.487 -15.417 1.00 0.00 H new ATOM 2678 N PHE B 76 4.079 15.538 -15.839 1.00 0.00 N ATOM 2679 CA PHE B 76 2.785 15.446 -16.588 1.00 0.00 C ATOM 2680 C PHE B 76 1.821 14.524 -15.839 1.00 0.00 C ATOM 2681 O PHE B 76 0.622 14.569 -16.026 1.00 0.00 O ATOM 2682 CB PHE B 76 3.049 14.921 -18.006 1.00 0.00 C ATOM 2683 CG PHE B 76 1.762 14.485 -18.675 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.828 15.443 -19.086 1.00 0.00 C ATOM 2685 CD2 PHE B 76 1.515 13.125 -18.902 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.353 15.042 -19.723 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.333 12.724 -19.537 1.00 0.00 C ATOM 2688 CZ PHE B 76 -0.601 13.682 -19.948 1.00 0.00 C ATOM 0 H PHE B 76 4.877 15.083 -16.282 1.00 0.00 H new ATOM 0 HA PHE B 76 2.331 16.434 -16.662 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.527 15.699 -18.602 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.743 14.081 -17.963 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.018 16.492 -18.912 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.236 12.385 -18.587 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -1.073 15.782 -20.041 1.00 0.00 H new ATOM 0 HE2 PHE B 76 0.142 11.675 -19.710 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.512 13.373 -20.438 1.00 0.00 H new ATOM 2698 N VAL B 77 2.339 13.693 -14.993 1.00 0.00 N ATOM 2699 CA VAL B 77 1.468 12.764 -14.219 1.00 0.00 C ATOM 2700 C VAL B 77 0.753 13.547 -13.122 1.00 0.00 C ATOM 2701 O VAL B 77 -0.386 13.284 -12.799 1.00 0.00 O ATOM 2702 CB VAL B 77 2.328 11.656 -13.593 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.485 10.400 -13.361 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.477 11.333 -14.539 1.00 0.00 C ATOM 0 H VAL B 77 3.337 13.612 -14.798 1.00 0.00 H new ATOM 0 HA VAL B 77 0.731 12.311 -14.882 1.00 0.00 H new ATOM 0 HB VAL B 77 2.718 11.997 -12.634 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.106 9.622 -12.917 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.660 10.634 -12.688 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.087 10.048 -14.313 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.095 10.547 -14.105 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.077 10.994 -15.495 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.082 12.226 -14.695 1.00 0.00 H new ATOM 2714 N SER B 78 1.423 14.498 -12.537 1.00 0.00 N ATOM 2715 CA SER B 78 0.786 15.291 -11.448 1.00 0.00 C ATOM 2716 C SER B 78 -0.434 16.044 -11.985 1.00 0.00 C ATOM 2717 O SER B 78 -1.475 16.081 -11.360 1.00 0.00 O ATOM 2718 CB SER B 78 1.800 16.292 -10.888 1.00 0.00 C ATOM 2719 OG SER B 78 2.634 15.634 -9.947 1.00 0.00 O ATOM 0 H SER B 78 2.382 14.761 -12.764 1.00 0.00 H new ATOM 0 HA SER B 78 0.463 14.614 -10.658 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.401 16.709 -11.696 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.282 17.125 -10.413 1.00 0.00 H new ATOM 0 HG SER B 78 3.256 15.042 -10.419 1.00 0.00 H new ATOM 2725 N MET B 79 -0.306 16.667 -13.121 1.00 0.00 N ATOM 2726 CA MET B 79 -1.457 17.442 -13.677 1.00 0.00 C ATOM 2727 C MET B 79 -2.580 16.512 -14.160 1.00 0.00 C ATOM 2728 O MET B 79 -3.751 16.786 -13.961 1.00 0.00 O ATOM 2729 CB MET B 79 -0.963 18.333 -14.825 1.00 0.00 C ATOM 2730 CG MET B 79 -0.190 17.500 -15.855 1.00 0.00 C ATOM 2731 SD MET B 79 0.819 18.601 -16.880 1.00 0.00 S ATOM 2732 CE MET B 79 -0.419 18.970 -18.144 1.00 0.00 C ATOM 0 H MET B 79 0.541 16.676 -13.690 1.00 0.00 H new ATOM 0 HA MET B 79 -1.871 18.066 -12.885 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.811 18.821 -15.305 1.00 0.00 H new ATOM 0 HB3 MET B 79 -0.322 19.122 -14.431 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.445 16.773 -15.349 1.00 0.00 H new ATOM 0 HG3 MET B 79 -0.884 16.938 -16.480 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.050 19.512 -18.965 1.00 0.00 H new ATOM 0 HE2 MET B 79 -0.844 18.039 -18.519 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.210 19.582 -17.711 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.249 15.417 -14.781 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.317 14.490 -15.269 1.00 0.00 C ATOM 2744 C VAL B 80 -4.152 14.010 -14.085 1.00 0.00 C ATOM 2745 O VAL B 80 -5.360 13.886 -14.163 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.684 13.286 -15.964 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -3.775 12.271 -16.327 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.960 13.744 -17.237 1.00 0.00 C ATOM 0 H VAL B 80 -1.292 15.121 -14.973 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.954 15.019 -15.978 1.00 0.00 H new ATOM 0 HB VAL B 80 -1.965 12.819 -15.292 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.323 11.412 -16.823 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.281 11.941 -15.420 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.498 12.737 -16.997 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.510 12.882 -17.730 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.674 14.216 -17.912 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.181 14.460 -16.975 1.00 0.00 H new ATOM 2758 N THR B 81 -3.511 13.734 -12.994 1.00 0.00 N ATOM 2759 CA THR B 81 -4.242 13.255 -11.795 1.00 0.00 C ATOM 2760 C THR B 81 -5.246 14.318 -11.386 1.00 0.00 C ATOM 2761 O THR B 81 -6.360 14.031 -10.997 1.00 0.00 O ATOM 2762 CB THR B 81 -3.253 13.027 -10.655 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.302 12.060 -11.053 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.997 12.541 -9.404 1.00 0.00 C ATOM 0 H THR B 81 -2.501 13.820 -12.878 1.00 0.00 H new ATOM 0 HA THR B 81 -4.755 12.320 -12.018 1.00 0.00 H new ATOM 0 HB THR B 81 -2.747 13.964 -10.420 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.646 12.474 -11.652 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.284 12.381 -8.596 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.727 13.291 -9.100 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.510 11.605 -9.626 1.00 0.00 H new ATOM 2772 N THR B 82 -4.852 15.550 -11.468 1.00 0.00 N ATOM 2773 CA THR B 82 -5.765 16.651 -11.085 1.00 0.00 C ATOM 2774 C THR B 82 -7.109 16.441 -11.789 1.00 0.00 C ATOM 2775 O THR B 82 -8.162 16.721 -11.244 1.00 0.00 O ATOM 2776 CB THR B 82 -5.140 17.979 -11.524 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.752 17.965 -11.216 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.805 19.127 -10.775 1.00 0.00 C ATOM 0 H THR B 82 -3.929 15.844 -11.787 1.00 0.00 H new ATOM 0 HA THR B 82 -5.923 16.666 -10.007 1.00 0.00 H new ATOM 0 HB THR B 82 -5.282 18.112 -12.597 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.346 18.812 -11.496 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.360 20.072 -11.088 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.872 19.137 -10.998 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.659 18.995 -9.703 1.00 0.00 H new ATOM 2786 N ALA B 83 -7.083 15.915 -12.984 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.362 15.649 -13.703 1.00 0.00 C ATOM 2788 C ALA B 83 -9.130 14.564 -12.947 1.00 0.00 C ATOM 2789 O ALA B 83 -10.339 14.605 -12.832 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.069 15.181 -15.135 1.00 0.00 C ATOM 0 H ALA B 83 -6.236 15.659 -13.491 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.958 16.561 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.008 14.989 -15.654 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.514 15.955 -15.664 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.477 14.266 -15.105 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.429 13.592 -12.428 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.103 12.499 -11.675 1.00 0.00 C ATOM 2798 C CYS B 84 -9.848 13.095 -10.481 1.00 0.00 C ATOM 2799 O CYS B 84 -10.900 12.624 -10.104 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.063 11.496 -11.176 1.00 0.00 C ATOM 2801 SG CYS B 84 -7.127 10.850 -12.584 1.00 0.00 S ATOM 0 H CYS B 84 -7.415 13.509 -12.494 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.807 11.988 -12.332 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.389 11.977 -10.467 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.554 10.680 -10.646 1.00 0.00 H new ATOM 0 HG CYS B 84 -6.240 9.998 -12.162 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.322 14.133 -9.883 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.025 14.744 -8.721 1.00 0.00 C ATOM 2809 C HIS B 85 -11.401 15.212 -9.184 1.00 0.00 C ATOM 2810 O HIS B 85 -12.389 15.051 -8.494 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.214 15.940 -8.214 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.911 16.570 -7.039 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.123 17.940 -6.956 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.446 16.038 -5.892 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.760 18.183 -5.796 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.981 17.059 -5.113 1.00 0.00 N ATOM 0 H HIS B 85 -8.444 14.579 -10.148 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.132 14.018 -7.915 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.214 15.616 -7.924 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.093 16.673 -9.012 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -10.451 14.989 -5.634 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.056 19.166 -5.460 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -11.445 16.967 -4.209 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.477 15.767 -10.359 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.793 16.219 -10.884 1.00 0.00 C ATOM 2827 C GLU B 86 -13.733 15.012 -10.975 1.00 0.00 C ATOM 2828 O GLU B 86 -14.908 15.102 -10.680 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.608 16.846 -12.270 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.959 17.333 -12.803 1.00 0.00 C ATOM 2831 CD GLU B 86 -13.761 17.992 -14.169 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.619 18.191 -14.549 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -14.754 18.284 -14.814 1.00 0.00 O ATOM 0 H GLU B 86 -10.684 15.927 -10.980 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.222 16.966 -10.216 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.908 17.679 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -12.178 16.116 -12.955 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -14.652 16.496 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -14.402 18.044 -12.105 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.220 13.885 -11.396 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.070 12.665 -11.523 1.00 0.00 C ATOM 2842 C PHE B 87 -14.125 11.932 -10.182 1.00 0.00 C ATOM 2843 O PHE B 87 -15.061 11.211 -9.897 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.474 11.736 -12.583 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.406 10.569 -12.805 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.287 9.417 -12.019 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -15.390 10.640 -13.798 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.153 8.337 -12.224 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -16.256 9.559 -14.004 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.138 8.408 -13.216 1.00 0.00 C ATOM 0 H PHE B 87 -12.243 13.757 -11.659 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.078 12.959 -11.817 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.324 12.279 -13.516 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.496 11.379 -12.261 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.527 9.362 -11.254 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.481 11.528 -14.405 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.061 7.449 -11.617 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.015 9.613 -14.771 1.00 0.00 H new ATOM 0 HZ PHE B 87 -16.807 7.575 -13.373 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.131 12.111 -9.351 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.127 11.428 -8.023 1.00 0.00 C ATOM 2862 C PHE B 88 -13.738 12.377 -6.983 1.00 0.00 C ATOM 2863 O PHE B 88 -13.088 12.800 -6.047 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.672 11.067 -7.641 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.638 9.808 -6.788 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.261 9.792 -5.533 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.976 8.659 -7.252 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.223 8.636 -4.745 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.940 7.504 -6.462 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.564 7.492 -5.209 1.00 0.00 C ATOM 0 H PHE B 88 -12.320 12.702 -9.535 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.715 10.511 -8.061 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.080 10.917 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.218 11.894 -7.096 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.771 10.673 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.495 8.667 -8.219 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.703 8.627 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.430 6.621 -6.819 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.537 6.600 -4.601 1.00 0.00 H new ATOM 3114 N ARG X 104 19.793 21.346 4.776 1.00 0.00 N ATOM 3115 CA ARG X 104 18.922 20.230 4.313 1.00 0.00 C ATOM 3116 C ARG X 104 18.108 20.693 3.101 1.00 0.00 C ATOM 3117 O ARG X 104 17.917 19.964 2.145 1.00 0.00 O ATOM 3118 CB ARG X 104 17.967 19.824 5.442 1.00 0.00 C ATOM 3119 CG ARG X 104 18.720 19.004 6.496 1.00 0.00 C ATOM 3120 CD ARG X 104 19.908 19.809 7.032 1.00 0.00 C ATOM 3121 NE ARG X 104 20.421 19.184 8.298 1.00 0.00 N ATOM 3122 CZ ARG X 104 19.674 19.068 9.363 1.00 0.00 C ATOM 3123 NH1 ARG X 104 18.497 19.630 9.416 1.00 0.00 N ATOM 3124 NH2 ARG X 104 20.131 18.422 10.402 1.00 0.00 N ATOM 0 HA ARG X 104 19.540 19.376 4.035 1.00 0.00 H new ATOM 0 HB2 ARG X 104 17.535 20.713 5.901 1.00 0.00 H new ATOM 0 HB3 ARG X 104 17.140 19.240 5.038 1.00 0.00 H new ATOM 0 HG2 ARG X 104 18.048 18.742 7.314 1.00 0.00 H new ATOM 0 HG3 ARG X 104 19.071 18.069 6.060 1.00 0.00 H new ATOM 0 HD2 ARG X 104 20.702 19.843 6.286 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.605 20.839 7.222 1.00 0.00 H new ATOM 0 HE ARG X 104 21.381 18.840 8.327 1.00 0.00 H new ATOM 0 HH11 ARG X 104 18.152 20.167 8.620 1.00 0.00 H new ATOM 0 HH12 ARG X 104 17.923 19.532 10.253 1.00 0.00 H new ATOM 0 HH21 ARG X 104 21.065 18.013 10.378 1.00 0.00 H new ATOM 0 HH22 ARG X 104 19.554 18.327 11.238 1.00 0.00 H new ATOM 3138 N HIS X 105 17.630 21.906 3.139 1.00 0.00 N ATOM 3139 CA HIS X 105 16.830 22.438 2.003 1.00 0.00 C ATOM 3140 C HIS X 105 17.678 22.423 0.729 1.00 0.00 C ATOM 3141 O HIS X 105 17.202 22.115 -0.342 1.00 0.00 O ATOM 3142 CB HIS X 105 16.396 23.870 2.318 1.00 0.00 C ATOM 3143 CG HIS X 105 15.579 24.412 1.178 1.00 0.00 C ATOM 3144 ND1 HIS X 105 14.319 23.913 0.872 1.00 0.00 N ATOM 3145 CD2 HIS X 105 15.815 25.417 0.271 1.00 0.00 C ATOM 3146 CE1 HIS X 105 13.849 24.613 -0.176 1.00 0.00 C ATOM 3147 NE2 HIS X 105 14.722 25.540 -0.579 1.00 0.00 N ATOM 0 H HIS X 105 17.761 22.555 3.915 1.00 0.00 H new ATOM 0 HA HIS X 105 15.947 21.816 1.853 1.00 0.00 H new ATOM 0 HB2 HIS X 105 15.812 23.890 3.238 1.00 0.00 H new ATOM 0 HB3 HIS X 105 17.271 24.498 2.482 1.00 0.00 H new ATOM 0 HD1 HIS X 105 13.838 23.154 1.354 1.00 0.00 H new ATOM 0 HD2 HIS X 105 16.711 26.018 0.226 1.00 0.00 H new ATOM 0 HE1 HIS X 105 12.886 24.446 -0.635 1.00 0.00 H new ATOM 3156 N LYS X 106 18.932 22.767 0.842 1.00 0.00 N ATOM 3157 CA LYS X 106 19.817 22.790 -0.358 1.00 0.00 C ATOM 3158 C LYS X 106 19.882 21.394 -0.984 1.00 0.00 C ATOM 3159 O LYS X 106 19.933 21.245 -2.194 1.00 0.00 O ATOM 3160 CB LYS X 106 21.228 23.235 0.058 1.00 0.00 C ATOM 3161 CG LYS X 106 22.174 23.270 -1.157 1.00 0.00 C ATOM 3162 CD LYS X 106 21.669 24.271 -2.207 1.00 0.00 C ATOM 3163 CE LYS X 106 22.801 24.610 -3.180 1.00 0.00 C ATOM 3164 NZ LYS X 106 23.812 25.462 -2.494 1.00 0.00 N ATOM 0 H LYS X 106 19.383 23.034 1.717 1.00 0.00 H new ATOM 0 HA LYS X 106 19.414 23.490 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS X 106 21.182 24.223 0.516 1.00 0.00 H new ATOM 0 HB3 LYS X 106 21.622 22.552 0.811 1.00 0.00 H new ATOM 0 HG2 LYS X 106 23.178 23.548 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS X 106 22.244 22.276 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS X 106 20.824 23.848 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS X 106 21.313 25.178 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.268 23.695 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS X 106 22.402 25.131 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 24.325 26.028 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 23.334 26.096 -1.823 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 24.484 24.857 -1.980 1.00 0.00 H new ATOM 3178 N LYS X 107 19.895 20.369 -0.179 1.00 0.00 N ATOM 3179 CA LYS X 107 19.980 18.997 -0.744 1.00 0.00 C ATOM 3180 C LYS X 107 18.784 18.750 -1.669 1.00 0.00 C ATOM 3181 O LYS X 107 18.930 18.152 -2.708 1.00 0.00 O ATOM 3182 CB LYS X 107 19.977 17.957 0.388 1.00 0.00 C ATOM 3183 CG LYS X 107 21.256 18.093 1.228 1.00 0.00 C ATOM 3184 CD LYS X 107 21.512 16.798 2.014 1.00 0.00 C ATOM 3185 CE LYS X 107 20.251 16.377 2.782 1.00 0.00 C ATOM 3186 NZ LYS X 107 19.371 15.571 1.888 1.00 0.00 N ATOM 0 H LYS X 107 19.851 20.422 0.839 1.00 0.00 H new ATOM 0 HA LYS X 107 20.907 18.903 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS X 107 19.100 18.097 1.020 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.911 16.952 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS X 107 22.105 18.308 0.579 1.00 0.00 H new ATOM 0 HG3 LYS X 107 21.161 18.933 1.917 1.00 0.00 H new ATOM 0 HD2 LYS X 107 21.811 16.004 1.330 1.00 0.00 H new ATOM 0 HD3 LYS X 107 22.337 16.946 2.711 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.525 15.795 3.662 1.00 0.00 H new ATOM 0 HE3 LYS X 107 19.717 17.258 3.137 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.026 14.735 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 18.561 16.149 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 19.911 15.266 1.053 1.00 0.00 H new ATOM 3200 N LEU X 108 17.608 19.204 -1.306 1.00 0.00 N ATOM 3201 CA LEU X 108 16.410 18.986 -2.187 1.00 0.00 C ATOM 3202 C LEU X 108 16.540 19.827 -3.473 1.00 0.00 C ATOM 3203 O LEU X 108 16.170 19.409 -4.559 1.00 0.00 O ATOM 3204 CB LEU X 108 15.140 19.409 -1.447 1.00 0.00 C ATOM 3205 CG LEU X 108 13.907 18.894 -2.209 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.802 17.355 -2.097 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.646 19.552 -1.633 1.00 0.00 C ATOM 0 H LEU X 108 17.423 19.714 -0.442 1.00 0.00 H new ATOM 0 HA LEU X 108 16.354 17.928 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.147 19.010 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.101 20.495 -1.362 1.00 0.00 H new ATOM 0 HG LEU X 108 14.005 19.153 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.924 17.010 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.696 16.897 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.712 17.072 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.769 19.190 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.554 19.300 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.718 20.634 -1.743 1.00 0.00 H new ATOM 3219 N MET X 109 17.047 21.023 -3.352 1.00 0.00 N ATOM 3220 CA MET X 109 17.192 21.905 -4.545 1.00 0.00 C ATOM 3221 C MET X 109 17.869 21.132 -5.680 1.00 0.00 C ATOM 3222 O MET X 109 17.720 21.470 -6.837 1.00 0.00 O ATOM 3223 CB MET X 109 18.026 23.146 -4.176 1.00 0.00 C ATOM 3224 CG MET X 109 17.115 24.232 -3.589 1.00 0.00 C ATOM 3225 SD MET X 109 16.034 23.505 -2.325 1.00 0.00 S ATOM 3226 CE MET X 109 14.440 23.895 -3.092 1.00 0.00 C ATOM 0 H MET X 109 17.369 21.429 -2.474 1.00 0.00 H new ATOM 0 HA MET X 109 16.206 22.229 -4.877 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.796 22.876 -3.454 1.00 0.00 H new ATOM 0 HB3 MET X 109 18.538 23.527 -5.060 1.00 0.00 H new ATOM 0 HG2 MET X 109 17.717 25.029 -3.152 1.00 0.00 H new ATOM 0 HG3 MET X 109 16.515 24.683 -4.379 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.637 23.434 -2.517 1.00 0.00 H new ATOM 0 HE2 MET X 109 14.300 24.976 -3.110 1.00 0.00 H new ATOM 0 HE3 MET X 109 14.423 23.510 -4.112 1.00 0.00 H new ATOM 3236 N PHE X 110 18.627 20.116 -5.363 1.00 0.00 N ATOM 3237 CA PHE X 110 19.328 19.340 -6.434 1.00 0.00 C ATOM 3238 C PHE X 110 18.384 19.109 -7.633 1.00 0.00 C ATOM 3239 O PHE X 110 18.766 19.289 -8.771 1.00 0.00 O ATOM 3240 CB PHE X 110 19.800 17.982 -5.859 1.00 0.00 C ATOM 3241 CG PHE X 110 18.738 16.910 -6.050 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.644 16.829 -5.178 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.843 16.010 -7.117 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.667 15.854 -5.367 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.857 15.035 -7.310 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.770 14.958 -6.432 1.00 0.00 C ATOM 0 H PHE X 110 18.792 19.788 -4.411 1.00 0.00 H new ATOM 0 HA PHE X 110 20.192 19.907 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.723 17.676 -6.351 1.00 0.00 H new ATOM 0 HB3 PHE X 110 20.025 18.091 -4.798 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.558 17.525 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.685 16.068 -7.791 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.829 15.791 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.935 14.343 -8.136 1.00 0.00 H new ATOM 0 HZ PHE X 110 16.010 14.205 -6.579 1.00 0.00 H new ATOM 3256 N LYS X 111 17.163 18.700 -7.387 1.00 0.00 N ATOM 3257 CA LYS X 111 16.222 18.456 -8.523 1.00 0.00 C ATOM 3258 C LYS X 111 15.748 19.795 -9.107 1.00 0.00 C ATOM 3259 O LYS X 111 15.522 19.915 -10.295 1.00 0.00 O ATOM 3260 CB LYS X 111 15.024 17.607 -8.051 1.00 0.00 C ATOM 3261 CG LYS X 111 13.869 18.499 -7.596 1.00 0.00 C ATOM 3262 CD LYS X 111 12.848 17.661 -6.825 1.00 0.00 C ATOM 3263 CE LYS X 111 13.423 17.208 -5.471 1.00 0.00 C ATOM 3264 NZ LYS X 111 12.373 17.357 -4.428 1.00 0.00 N ATOM 0 H LYS X 111 16.781 18.526 -6.458 1.00 0.00 H new ATOM 0 HA LYS X 111 16.742 17.903 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.691 16.959 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS X 111 15.333 16.959 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS X 111 14.245 19.304 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.394 18.966 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS X 111 11.941 18.243 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS X 111 12.566 16.789 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS X 111 13.752 16.170 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS X 111 14.297 17.806 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 12.474 16.600 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 12.476 18.281 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 11.434 17.295 -4.870 1.00 0.00 H new ATOM 3278 N THR X 112 15.585 20.803 -8.289 1.00 0.00 N ATOM 3279 CA THR X 112 15.133 22.114 -8.843 1.00 0.00 C ATOM 3280 C THR X 112 16.180 22.590 -9.846 1.00 0.00 C ATOM 3281 O THR X 112 15.865 23.132 -10.887 1.00 0.00 O ATOM 3282 CB THR X 112 14.977 23.153 -7.726 1.00 0.00 C ATOM 3283 OG1 THR X 112 16.188 23.248 -6.991 1.00 0.00 O ATOM 3284 CG2 THR X 112 13.834 22.749 -6.791 1.00 0.00 C ATOM 0 H THR X 112 15.742 20.778 -7.281 1.00 0.00 H new ATOM 0 HA THR X 112 14.164 21.992 -9.326 1.00 0.00 H new ATOM 0 HB THR X 112 14.746 24.122 -8.169 1.00 0.00 H new ATOM 0 HG1 THR X 112 16.742 22.460 -7.170 1.00 0.00 H new ATOM 0 HG21 THR X 112 13.730 23.492 -6.001 1.00 0.00 H new ATOM 0 HG22 THR X 112 12.905 22.689 -7.357 1.00 0.00 H new ATOM 0 HG23 THR X 112 14.052 21.777 -6.348 1.00 0.00 H new ATOM 3292 N GLU X 113 17.429 22.378 -9.537 1.00 0.00 N ATOM 3293 CA GLU X 113 18.513 22.797 -10.464 1.00 0.00 C ATOM 3294 CB GLU X 113 18.464 21.925 -11.721 1.00 0.00 C ATOM 3295 CG GLU X 113 18.569 20.449 -11.323 1.00 0.00 C ATOM 3296 CD GLU X 113 18.521 19.575 -12.578 1.00 0.00 C ATOM 3297 OE1 GLU X 113 18.225 20.107 -13.635 1.00 0.00 O ATOM 3298 OE2 GLU X 113 18.779 18.389 -12.459 1.00 0.00 O ATOM 0 H GLU X 113 17.745 21.930 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.535 22.101 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU X 113 19.280 22.191 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU X 113 19.498 20.273 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.752 20.184 -10.651 1.00 0.00 H new ATOM 3493 N ARG Y 104 -10.648 14.678 -28.787 1.00 0.00 N ATOM 3494 CA ARG Y 104 -10.365 14.071 -27.455 1.00 0.00 C ATOM 3495 C ARG Y 104 -9.157 14.771 -26.827 1.00 0.00 C ATOM 3496 O ARG Y 104 -9.124 15.044 -25.641 1.00 0.00 O ATOM 3497 CB ARG Y 104 -10.054 12.579 -27.626 1.00 0.00 C ATOM 3498 CG ARG Y 104 -11.349 11.798 -27.878 1.00 0.00 C ATOM 3499 CD ARG Y 104 -12.069 12.364 -29.105 1.00 0.00 C ATOM 3500 NE ARG Y 104 -13.119 11.398 -29.573 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -12.820 10.190 -29.972 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -11.575 9.828 -30.122 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -13.776 9.351 -30.266 1.00 0.00 N ATOM 0 HA ARG Y 104 -11.235 14.189 -26.810 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -9.366 12.436 -28.459 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -9.558 12.198 -26.733 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -11.123 10.743 -28.033 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -11.997 11.860 -27.004 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -12.528 13.322 -28.859 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -11.352 12.550 -29.904 1.00 0.00 H new ATOM 0 HE ARG Y 104 -14.095 11.694 -29.580 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -10.824 10.490 -29.927 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -11.353 8.883 -30.434 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -14.751 9.640 -30.184 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -13.548 8.407 -30.578 1.00 0.00 H new ATOM 3517 N HIS Y 105 -8.166 15.065 -27.621 1.00 0.00 N ATOM 3518 CA HIS Y 105 -6.953 15.748 -27.093 1.00 0.00 C ATOM 3519 C HIS Y 105 -7.349 17.100 -26.494 1.00 0.00 C ATOM 3520 O HIS Y 105 -6.838 17.511 -25.474 1.00 0.00 O ATOM 3521 CB HIS Y 105 -5.954 15.959 -28.231 1.00 0.00 C ATOM 3522 CG HIS Y 105 -4.723 16.641 -27.705 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -3.843 16.010 -26.836 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -4.202 17.893 -27.925 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -2.848 16.876 -26.569 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -3.019 18.034 -27.207 1.00 0.00 N ATOM 0 H HIS Y 105 -8.144 14.860 -28.620 1.00 0.00 H new ATOM 0 HA HIS Y 105 -6.494 15.133 -26.319 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -5.688 15.000 -28.677 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -6.407 16.562 -29.018 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -3.934 15.063 -26.467 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -4.642 18.650 -28.557 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -2.014 16.660 -25.918 1.00 0.00 H new ATOM 3535 N LYS Y 106 -8.247 17.798 -27.133 1.00 0.00 N ATOM 3536 CA LYS Y 106 -8.673 19.132 -26.619 1.00 0.00 C ATOM 3537 C LYS Y 106 -9.267 18.983 -25.216 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.085 19.830 -24.358 1.00 0.00 O ATOM 3539 CB LYS Y 106 -9.721 19.735 -27.566 1.00 0.00 C ATOM 3540 CG LYS Y 106 -10.185 21.116 -27.066 1.00 0.00 C ATOM 3541 CD LYS Y 106 -9.001 22.091 -26.994 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.519 23.531 -26.929 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -10.142 23.901 -28.231 1.00 0.00 N ATOM 0 H LYS Y 106 -8.707 17.501 -27.994 1.00 0.00 H new ATOM 0 HA LYS Y 106 -7.807 19.793 -26.570 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -9.301 19.829 -28.567 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -10.577 19.065 -27.641 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -10.949 21.513 -27.734 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -10.642 21.017 -26.081 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -8.392 21.874 -26.117 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -8.360 21.964 -27.866 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -10.249 23.629 -26.125 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -8.699 24.212 -26.701 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -10.076 24.930 -28.367 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -9.643 23.417 -29.005 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -11.142 23.615 -28.231 1.00 0.00 H new ATOM 3557 N LYS Y 107 -9.986 17.923 -24.972 1.00 0.00 N ATOM 3558 CA LYS Y 107 -10.600 17.751 -23.629 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.501 17.722 -22.564 1.00 0.00 C ATOM 3560 O LYS Y 107 -9.663 18.285 -21.508 1.00 0.00 O ATOM 3561 CB LYS Y 107 -11.397 16.439 -23.577 1.00 0.00 C ATOM 3562 CG LYS Y 107 -12.592 16.511 -24.539 1.00 0.00 C ATOM 3563 CD LYS Y 107 -13.648 15.461 -24.155 1.00 0.00 C ATOM 3564 CE LYS Y 107 -12.998 14.077 -23.998 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -12.491 13.916 -22.605 1.00 0.00 N ATOM 0 H LYS Y 107 -10.173 17.175 -25.639 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.274 18.586 -23.438 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -10.753 15.602 -23.846 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -11.748 16.257 -22.561 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -13.032 17.508 -24.509 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.255 16.341 -25.562 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -14.134 15.749 -23.223 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -14.424 15.420 -24.919 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -13.724 13.296 -24.224 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -12.179 13.966 -24.709 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -12.786 12.991 -22.233 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -11.453 13.974 -22.605 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -12.880 14.671 -22.004 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.389 17.078 -22.827 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.285 17.031 -21.807 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.652 18.428 -21.649 1.00 0.00 C ATOM 3582 O LEU Y 108 -6.286 18.851 -20.563 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.204 16.047 -22.259 1.00 0.00 C ATOM 3584 CG LEU Y 108 -5.247 15.764 -21.090 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -5.959 14.932 -19.996 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -4.022 15.005 -21.615 1.00 0.00 C ATOM 0 H LEU Y 108 -8.195 16.584 -23.698 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.704 16.709 -20.854 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.662 15.119 -22.601 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.652 16.460 -23.103 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.931 16.709 -20.649 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -5.267 14.741 -19.176 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.821 15.485 -19.622 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -6.291 13.984 -20.419 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -3.339 14.801 -20.790 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.341 14.064 -22.063 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.514 15.610 -22.366 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.505 19.141 -22.730 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.889 20.498 -22.662 1.00 0.00 C ATOM 3600 C MET Y 109 -6.556 21.314 -21.549 1.00 0.00 C ATOM 3601 O MET Y 109 -5.979 22.248 -21.030 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.053 21.216 -24.015 1.00 0.00 C ATOM 3603 CG MET Y 109 -4.905 20.829 -24.955 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.686 19.027 -24.936 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.968 18.974 -24.360 1.00 0.00 C ATOM 0 H MET Y 109 -6.786 18.842 -23.664 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.826 20.399 -22.442 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.009 20.948 -24.465 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -6.063 22.296 -23.865 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -5.120 21.169 -25.968 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.984 21.321 -24.643 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.710 17.953 -24.079 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.306 19.309 -25.159 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -2.854 19.628 -23.496 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.770 20.987 -21.197 1.00 0.00 N ATOM 3616 CA PHE Y 110 -8.475 21.767 -20.131 1.00 0.00 C ATOM 3617 C PHE Y 110 -7.512 22.076 -18.965 1.00 0.00 C ATOM 3618 O PHE Y 110 -7.461 23.185 -18.475 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.688 20.953 -19.616 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.292 20.075 -18.440 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.641 18.854 -18.654 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.561 20.501 -17.133 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.266 18.061 -17.571 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -9.177 19.708 -16.046 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.531 18.487 -16.268 1.00 0.00 C ATOM 0 H PHE Y 110 -8.305 20.217 -21.598 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.823 22.711 -20.550 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -10.486 21.632 -19.315 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -10.083 20.333 -20.421 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.429 18.526 -19.661 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -10.065 21.441 -16.964 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.770 17.116 -17.740 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.379 20.038 -15.038 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.237 17.873 -15.430 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.760 21.103 -18.515 1.00 0.00 N ATOM 3636 CA LYS Y 111 -5.821 21.358 -17.381 1.00 0.00 C ATOM 3637 C LYS Y 111 -4.618 22.174 -17.878 1.00 0.00 C ATOM 3638 O LYS Y 111 -4.085 23.001 -17.165 1.00 0.00 O ATOM 3639 CB LYS Y 111 -5.366 20.020 -16.759 1.00 0.00 C ATOM 3640 CG LYS Y 111 -4.072 19.532 -17.408 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.821 18.071 -17.032 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.865 17.148 -17.683 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -4.177 15.929 -18.189 1.00 0.00 N ATOM 0 H LYS Y 111 -6.755 20.151 -18.880 1.00 0.00 H new ATOM 0 HA LYS Y 111 -6.332 21.933 -16.609 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -5.216 20.145 -15.687 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -6.147 19.270 -16.886 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -4.138 19.632 -18.491 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -3.235 20.150 -17.081 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -2.821 17.776 -17.350 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -3.857 17.959 -15.948 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.632 16.875 -16.958 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -5.368 17.664 -18.500 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -4.768 15.094 -18.001 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -4.020 16.019 -19.213 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -3.262 15.821 -17.706 1.00 0.00 H new ATOM 3657 N THR Y 112 -4.174 21.943 -19.087 1.00 0.00 N ATOM 3658 CA THR Y 112 -3.010 22.731 -19.589 1.00 0.00 C ATOM 3659 C THR Y 112 -3.393 24.209 -19.573 1.00 0.00 C ATOM 3660 O THR Y 112 -2.601 25.068 -19.242 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.643 22.310 -21.018 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.784 22.424 -21.853 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -2.139 20.863 -21.029 1.00 0.00 C ATOM 0 H THR Y 112 -4.558 21.257 -19.737 1.00 0.00 H new ATOM 0 HA THR Y 112 -2.145 22.550 -18.950 1.00 0.00 H new ATOM 0 HB THR Y 112 -1.852 22.962 -21.389 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -4.589 22.496 -21.299 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -1.882 20.575 -22.048 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.256 20.780 -20.395 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -2.920 20.203 -20.652 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.617 24.505 -19.919 1.00 0.00 N ATOM 3672 CA GLU Y 113 -5.076 25.919 -19.918 1.00 0.00 C ATOM 3673 CB GLU Y 113 -5.152 26.420 -18.474 1.00 0.00 C ATOM 3674 CG GLU Y 113 -6.084 25.507 -17.671 1.00 0.00 C ATOM 3675 CD GLU Y 113 -6.164 26.001 -16.225 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -5.383 26.869 -15.874 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -7.005 25.503 -15.494 1.00 0.00 O ATOM 0 H GLU Y 113 -5.320 23.823 -20.203 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -4.158 26.428 -18.027 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -5.520 27.446 -18.451 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -7.078 25.500 -18.119 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -5.716 24.481 -17.696 1.00 0.00 H new