USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=62 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= -2.7 K(o=-3.2,f=-5.5!) USER MOD Set 1.2: Y 109 MET CE :methyl -149:sc= -0.521 (180deg=-0.0785) USER MOD Set 2.1: X 105 HIS : no HE2:sc= -4.79! C(o=-5.2!,f=-8.1!) USER MOD Set 2.2: X 109 MET CE :methyl -151:sc= -0.437 (180deg=-0.0457) USER MOD Set 3.1: B 57 MET CE :methyl -108:sc= -2.56 (180deg=-6.76!) USER MOD Set 3.2: B 68 CYS SG : rot -112:sc= 1.36 USER MOD Set 4.1: B 37 ASN :FLIP amide:sc= -0.778 F(o=-5.9!,f=-1.4) USER MOD Set 4.2: B 38 ASN :FLIP amide:sc= -0.629 F(o=-13!,f=-1.4) USER MOD Set 5.1: B 28 LYS NZ :NH3+ 175:sc= -2.47 (180deg=-1.54) USER MOD Set 5.2: B 29 LYS NZ :NH3+ 161:sc= -1.21 (180deg=-1.34!) USER MOD Set 6.1: A 81 THR OG1 : rot -78:sc= -0.979! USER MOD Set 6.2: B 7 MET CE :methyl -174:sc= -0.713 (180deg=-0.536) USER MOD Set 7.1: A 78 SER OG : rot -111:sc= 0.296! USER MOD Set 7.2: B 78 SER OG : rot 68:sc= -2.13! USER MOD Set 8.1: A 57 MET CE :methyl -107:sc= -2.68 (180deg=-6.83!) USER MOD Set 8.2: A 68 CYS SG : rot -115:sc= 1.33 USER MOD Set 9.1: A 37 ASN :FLIP amide:sc= -0.759 F(o=-5.6!,f=-1.4) USER MOD Set 9.2: A 38 ASN :FLIP amide:sc= -0.635 F(o=-13!,f=-1.4) USER MOD Set10.1: A 28 LYS NZ :NH3+ 177:sc= -2.94 (180deg=-1.76) USER MOD Set10.2: A 29 LYS NZ :NH3+ 157:sc= -1.42 (180deg=-1.02) USER MOD Set11.1: A 7 MET CE :methyl -174:sc= -0.762 (180deg=-0.549) USER MOD Set11.2: B 81 THR OG1 : rot -76:sc= -1.02! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 150:sc= -0.049 (180deg=-0.519) USER MOD Single : A 1 SER OG : rot 180:sc= 0 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) USER MOD Single : A 16 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.41) USER MOD Single : A 17 TYR OH : rot -10:sc= 0.737 USER MOD Single : A 18 SER OG : rot -154:sc= -0.443! USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0558) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.00011) USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= -1.4 (180deg=-3.67!) USER MOD Single : A 30 SER OG : rot 160:sc= -0.776 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.312 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.078) USER MOD Single : A 50 GLN : amide:sc= -2 X(o=-2,f=-2.1) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.238) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00782 K(o=-0.0078,f=-1.7!) USER MOD Single : A 74 MET CE :methyl -106:sc= -1.59 (180deg=-4.58!) USER MOD Single : A 79 MET CE :methyl -161:sc= -0.0483 (180deg=-0.724) USER MOD Single : A 82 THR OG1 : rot -36:sc= 1.44 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.123 F(o=-0.75,f=-0.12) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 145:sc= -0.0704 (180deg=-0.782) USER MOD Single : B 1 SER OG : rot 180:sc= 0 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) USER MOD Single : B 16 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.5) USER MOD Single : B 17 TYR OH : rot -18:sc= 0.659 USER MOD Single : B 18 SER OG : rot -147:sc= -0.536 USER MOD Single : B 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.11) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ -119:sc= -1.51 (180deg=-3.86!) USER MOD Single : B 30 SER OG : rot 160:sc= -0.668 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 180:sc= -0.249 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.099) USER MOD Single : B 50 GLN : amide:sc= -2.09 X(o=-2.1,f=-2.1) USER MOD Single : B 55 LYS NZ :NH3+ 166:sc=-0.00355 (180deg=-0.27) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.7!) USER MOD Single : B 74 MET CE :methyl 132:sc= -1.64 (180deg=-4.8!) USER MOD Single : B 79 MET CE :methyl -159:sc= -0.0446 (180deg=-0.653) USER MOD Single : B 82 THR OG1 : rot -43:sc= 1.48 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS :FLIP no HD1:sc= -0.148 F(o=-0.78,f=-0.15) USER MOD Single : X 106 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.582) USER MOD Single : X 107 LYS NZ :NH3+ -158:sc= -0.043 (180deg=-0.393) USER MOD Single : X 111 LYS NZ :NH3+ -116:sc= -5.36! (180deg=-13.9!) USER MOD Single : X 112 THR OG1 : rot -12:sc= -0.361 USER MOD Single : Y 106 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.533) USER MOD Single : Y 107 LYS NZ :NH3+ -159:sc= -0.0308 (180deg=-0.278) USER MOD Single : Y 111 LYS NZ :NH3+ -118:sc= -5.38! (180deg=-14.2!) USER MOD Single : Y 112 THR OG1 : rot -10:sc= -0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.439 -3.614 -13.441 1.00 0.00 N ATOM 2 CA MET A 0 1.451 -2.869 -14.731 1.00 0.00 C ATOM 3 C MET A 0 0.105 -2.168 -14.930 1.00 0.00 C ATOM 4 O MET A 0 -0.934 -2.679 -14.564 1.00 0.00 O ATOM 5 CB MET A 0 1.703 -3.847 -15.885 1.00 0.00 C ATOM 6 CG MET A 0 0.533 -4.828 -16.010 1.00 0.00 C ATOM 7 SD MET A 0 0.931 -6.078 -17.257 1.00 0.00 S ATOM 8 CE MET A 0 -0.538 -7.106 -17.019 1.00 0.00 C ATOM 0 H1 MET A 0 2.058 -4.446 -13.515 1.00 0.00 H new ATOM 0 H2 MET A 0 1.781 -2.994 -12.679 1.00 0.00 H new ATOM 0 H3 MET A 0 0.469 -3.922 -13.227 1.00 0.00 H new ATOM 0 HA MET A 0 2.245 -2.122 -14.713 1.00 0.00 H new ATOM 0 HB2 MET A 0 1.827 -3.297 -16.818 1.00 0.00 H new ATOM 0 HB3 MET A 0 2.630 -4.394 -15.712 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.339 -5.305 -15.049 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.375 -4.295 -16.290 1.00 0.00 H new ATOM 0 HE1 MET A 0 -0.502 -7.955 -17.701 1.00 0.00 H new ATOM 0 HE2 MET A 0 -0.567 -7.467 -15.991 1.00 0.00 H new ATOM 0 HE3 MET A 0 -1.432 -6.516 -17.221 1.00 0.00 H new ATOM 20 N SER A 1 0.118 -0.999 -15.510 1.00 0.00 N ATOM 21 CA SER A 1 -1.161 -0.262 -15.736 1.00 0.00 C ATOM 22 C SER A 1 -1.817 0.059 -14.386 1.00 0.00 C ATOM 23 O SER A 1 -2.968 0.440 -14.315 1.00 0.00 O ATOM 24 CB SER A 1 -2.103 -1.124 -16.589 1.00 0.00 C ATOM 25 OG SER A 1 -2.961 -0.275 -17.341 1.00 0.00 O ATOM 0 H SER A 1 0.958 -0.521 -15.838 1.00 0.00 H new ATOM 0 HA SER A 1 -0.957 0.671 -16.261 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.526 -1.762 -17.258 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.692 -1.782 -15.950 1.00 0.00 H new ATOM 0 HG SER A 1 -3.563 -0.821 -17.888 1.00 0.00 H new ATOM 31 N GLU A 2 -1.080 -0.078 -13.320 1.00 0.00 N ATOM 32 CA GLU A 2 -1.630 0.232 -11.969 1.00 0.00 C ATOM 33 C GLU A 2 -1.681 1.745 -11.797 1.00 0.00 C ATOM 34 O GLU A 2 -1.912 2.255 -10.719 1.00 0.00 O ATOM 35 CB GLU A 2 -0.726 -0.376 -10.897 1.00 0.00 C ATOM 36 CG GLU A 2 0.687 0.181 -11.054 1.00 0.00 C ATOM 37 CD GLU A 2 1.634 -0.561 -10.109 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.589 -0.289 -8.921 1.00 0.00 O ATOM 39 OE2 GLU A 2 2.387 -1.391 -10.590 1.00 0.00 O ATOM 0 H GLU A 2 -0.110 -0.395 -13.326 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.632 -0.187 -11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.113 -0.144 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.714 -1.462 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.022 0.068 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.696 1.248 -10.832 1.00 0.00 H new ATOM 46 N LEU A 3 -1.451 2.464 -12.856 1.00 0.00 N ATOM 47 CA LEU A 3 -1.466 3.942 -12.773 1.00 0.00 C ATOM 48 C LEU A 3 -2.834 4.429 -12.306 1.00 0.00 C ATOM 49 O LEU A 3 -2.925 5.348 -11.542 1.00 0.00 O ATOM 50 CB LEU A 3 -1.134 4.525 -14.154 1.00 0.00 C ATOM 51 CG LEU A 3 -1.165 6.076 -14.119 1.00 0.00 C ATOM 52 CD1 LEU A 3 -0.040 6.642 -14.992 1.00 0.00 C ATOM 53 CD2 LEU A 3 -2.508 6.591 -14.655 1.00 0.00 C ATOM 0 H LEU A 3 -1.252 2.085 -13.782 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.720 4.275 -12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.148 4.183 -14.471 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.850 4.159 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.033 6.399 -13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.069 7.731 -14.962 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.922 6.294 -14.616 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.172 6.304 -16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.518 7.681 -14.625 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.643 6.255 -15.683 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.319 6.204 -14.038 1.00 0.00 H new ATOM 65 N GLU A 4 -3.896 3.835 -12.762 1.00 0.00 N ATOM 66 CA GLU A 4 -5.254 4.311 -12.340 1.00 0.00 C ATOM 67 C GLU A 4 -5.340 4.392 -10.817 1.00 0.00 C ATOM 68 O GLU A 4 -5.916 5.308 -10.264 1.00 0.00 O ATOM 69 CB GLU A 4 -6.308 3.318 -12.833 1.00 0.00 C ATOM 70 CG GLU A 4 -6.425 3.397 -14.354 1.00 0.00 C ATOM 71 CD GLU A 4 -7.460 2.379 -14.837 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.114 1.214 -14.939 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.583 2.782 -15.093 1.00 0.00 O ATOM 0 H GLU A 4 -3.892 3.044 -13.406 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.427 5.299 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.036 2.306 -12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.271 3.539 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.719 4.402 -14.656 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.458 3.196 -14.815 1.00 0.00 H new ATOM 80 N LYS A 5 -4.780 3.445 -10.137 1.00 0.00 N ATOM 81 CA LYS A 5 -4.830 3.459 -8.651 1.00 0.00 C ATOM 82 C LYS A 5 -3.956 4.592 -8.126 1.00 0.00 C ATOM 83 O LYS A 5 -4.243 5.190 -7.113 1.00 0.00 O ATOM 84 CB LYS A 5 -4.302 2.126 -8.130 1.00 0.00 C ATOM 85 CG LYS A 5 -5.298 1.018 -8.476 1.00 0.00 C ATOM 86 CD LYS A 5 -4.776 -0.326 -7.960 1.00 0.00 C ATOM 87 CE LYS A 5 -3.464 -0.689 -8.676 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.294 -2.170 -8.672 1.00 0.00 N ATOM 0 H LYS A 5 -4.284 2.653 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.856 3.610 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.330 1.909 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.156 2.176 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.269 1.237 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.445 0.972 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.610 -0.273 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.520 -1.104 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.480 -0.316 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.620 -0.213 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.408 -2.419 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.261 -2.513 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.094 -2.613 -9.167 1.00 0.00 H new ATOM 102 N ALA A 6 -2.870 4.860 -8.790 1.00 0.00 N ATOM 103 CA ALA A 6 -1.948 5.930 -8.315 1.00 0.00 C ATOM 104 C ALA A 6 -2.553 7.330 -8.482 1.00 0.00 C ATOM 105 O ALA A 6 -2.387 8.180 -7.635 1.00 0.00 O ATOM 106 CB ALA A 6 -0.637 5.844 -9.104 1.00 0.00 C ATOM 0 H ALA A 6 -2.578 4.384 -9.644 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.770 5.774 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.044 6.623 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.180 4.867 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.842 5.980 -10.166 1.00 0.00 H new ATOM 112 N MET A 7 -3.230 7.590 -9.561 1.00 0.00 N ATOM 113 CA MET A 7 -3.806 8.950 -9.764 1.00 0.00 C ATOM 114 C MET A 7 -4.896 9.192 -8.727 1.00 0.00 C ATOM 115 O MET A 7 -5.041 10.270 -8.173 1.00 0.00 O ATOM 116 CB MET A 7 -4.429 9.040 -11.162 1.00 0.00 C ATOM 117 CG MET A 7 -3.426 8.567 -12.217 1.00 0.00 C ATOM 118 SD MET A 7 -2.001 9.680 -12.278 1.00 0.00 S ATOM 119 CE MET A 7 -2.475 10.639 -13.743 1.00 0.00 C ATOM 0 H MET A 7 -3.411 6.923 -10.312 1.00 0.00 H new ATOM 0 HA MET A 7 -3.017 9.695 -9.662 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.331 8.429 -11.207 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.729 10.067 -11.369 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.095 7.555 -11.985 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.907 8.529 -13.194 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.665 11.317 -14.012 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.672 9.961 -14.574 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.373 11.216 -13.525 1.00 0.00 H new ATOM 129 N VAL A 8 -5.664 8.183 -8.474 1.00 0.00 N ATOM 130 CA VAL A 8 -6.773 8.300 -7.493 1.00 0.00 C ATOM 131 C VAL A 8 -6.199 8.455 -6.087 1.00 0.00 C ATOM 132 O VAL A 8 -6.760 9.123 -5.245 1.00 0.00 O ATOM 133 CB VAL A 8 -7.640 7.039 -7.572 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.651 7.028 -6.419 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.386 7.017 -8.913 1.00 0.00 C ATOM 0 H VAL A 8 -5.573 7.265 -8.910 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.382 9.175 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.003 6.158 -7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.264 6.129 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.118 7.039 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.290 7.908 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.003 6.121 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.020 7.900 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.665 7.015 -9.730 1.00 0.00 H new ATOM 145 N ALA A 9 -5.102 7.810 -5.825 1.00 0.00 N ATOM 146 CA ALA A 9 -4.491 7.874 -4.468 1.00 0.00 C ATOM 147 C ALA A 9 -3.945 9.271 -4.162 1.00 0.00 C ATOM 148 O ALA A 9 -4.055 9.747 -3.050 1.00 0.00 O ATOM 149 CB ALA A 9 -3.360 6.864 -4.379 1.00 0.00 C ATOM 0 H ALA A 9 -4.595 7.235 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.266 7.645 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.910 6.908 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.752 5.862 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.605 7.096 -5.130 1.00 0.00 H new ATOM 155 N LEU A 10 -3.350 9.938 -5.114 1.00 0.00 N ATOM 156 CA LEU A 10 -2.810 11.296 -4.802 1.00 0.00 C ATOM 157 C LEU A 10 -3.972 12.166 -4.348 1.00 0.00 C ATOM 158 O LEU A 10 -3.859 12.961 -3.438 1.00 0.00 O ATOM 159 CB LEU A 10 -2.185 11.944 -6.044 1.00 0.00 C ATOM 160 CG LEU A 10 -1.026 11.102 -6.587 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.420 11.822 -7.798 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.048 10.916 -5.503 1.00 0.00 C ATOM 0 H LEU A 10 -3.215 9.614 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.043 11.204 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.945 12.062 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.826 12.943 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.395 10.120 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.407 11.233 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.182 11.943 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.054 12.802 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.866 10.316 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.428 11.890 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.388 10.409 -4.642 1.00 0.00 H new ATOM 174 N ILE A 11 -5.087 12.019 -4.994 1.00 0.00 N ATOM 175 CA ILE A 11 -6.281 12.825 -4.636 1.00 0.00 C ATOM 176 C ILE A 11 -6.802 12.456 -3.237 1.00 0.00 C ATOM 177 O ILE A 11 -7.255 13.307 -2.502 1.00 0.00 O ATOM 178 CB ILE A 11 -7.369 12.585 -5.689 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.929 13.242 -7.006 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.694 13.203 -5.224 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.790 12.742 -8.171 1.00 0.00 C ATOM 0 H ILE A 11 -5.225 11.366 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.007 13.880 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.513 11.514 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.012 14.326 -6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.880 13.017 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.462 13.028 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.999 12.745 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.565 14.276 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.464 13.218 -9.095 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.685 11.661 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.835 12.990 -7.984 1.00 0.00 H new ATOM 193 N ASP A 12 -6.802 11.199 -2.880 1.00 0.00 N ATOM 194 CA ASP A 12 -7.360 10.808 -1.547 1.00 0.00 C ATOM 195 C ASP A 12 -6.531 11.385 -0.383 1.00 0.00 C ATOM 196 O ASP A 12 -7.076 11.839 0.603 1.00 0.00 O ATOM 197 CB ASP A 12 -7.369 9.283 -1.447 1.00 0.00 C ATOM 198 CG ASP A 12 -8.410 8.717 -2.414 1.00 0.00 C ATOM 199 OD1 ASP A 12 -9.407 9.383 -2.637 1.00 0.00 O ATOM 200 OD2 ASP A 12 -8.190 7.628 -2.918 1.00 0.00 O ATOM 0 H ASP A 12 -6.444 10.430 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.369 11.212 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.382 8.886 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.599 8.976 -0.427 1.00 0.00 H new ATOM 205 N VAL A 13 -5.228 11.354 -0.472 1.00 0.00 N ATOM 206 CA VAL A 13 -4.388 11.882 0.654 1.00 0.00 C ATOM 207 C VAL A 13 -4.452 13.420 0.684 1.00 0.00 C ATOM 208 O VAL A 13 -4.553 14.034 1.736 1.00 0.00 O ATOM 209 CB VAL A 13 -2.929 11.354 0.470 1.00 0.00 C ATOM 210 CG1 VAL A 13 -1.901 12.496 0.410 1.00 0.00 C ATOM 211 CG2 VAL A 13 -2.552 10.422 1.633 1.00 0.00 C ATOM 0 H VAL A 13 -4.707 10.989 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.765 11.532 1.615 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.906 10.816 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.902 12.080 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.132 13.150 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.939 13.069 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.533 10.060 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.618 10.969 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.238 9.575 1.657 1.00 0.00 H new ATOM 221 N PHE A 14 -4.403 14.040 -0.458 1.00 0.00 N ATOM 222 CA PHE A 14 -4.461 15.524 -0.502 1.00 0.00 C ATOM 223 C PHE A 14 -5.763 15.977 0.141 1.00 0.00 C ATOM 224 O PHE A 14 -5.802 16.956 0.842 1.00 0.00 O ATOM 225 CB PHE A 14 -4.398 15.993 -1.962 1.00 0.00 C ATOM 226 CG PHE A 14 -4.673 17.478 -2.045 1.00 0.00 C ATOM 227 CD1 PHE A 14 -3.634 18.399 -1.862 1.00 0.00 C ATOM 228 CD2 PHE A 14 -5.970 17.932 -2.316 1.00 0.00 C ATOM 229 CE1 PHE A 14 -3.894 19.771 -1.945 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.229 19.304 -2.400 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.191 20.224 -2.214 1.00 0.00 C ATOM 0 H PHE A 14 -4.325 13.582 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.618 15.953 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.416 15.774 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.128 15.446 -2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.633 18.050 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.771 17.222 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.093 20.481 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.230 19.653 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.391 21.283 -2.278 1.00 0.00 H new ATOM 241 N HIS A 15 -6.824 15.272 -0.099 1.00 0.00 N ATOM 242 CA HIS A 15 -8.133 15.651 0.498 1.00 0.00 C ATOM 243 C HIS A 15 -8.081 15.595 2.028 1.00 0.00 C ATOM 244 O HIS A 15 -8.725 16.376 2.701 1.00 0.00 O ATOM 245 CB HIS A 15 -9.223 14.707 -0.008 1.00 0.00 C ATOM 246 CG HIS A 15 -10.539 15.100 0.602 1.00 0.00 C ATOM 247 ND1 HIS A 15 -11.176 16.292 0.287 1.00 0.00 N ATOM 248 CD2 HIS A 15 -11.349 14.472 1.517 1.00 0.00 C ATOM 249 CE1 HIS A 15 -12.316 16.345 1.002 1.00 0.00 C ATOM 250 NE2 HIS A 15 -12.466 15.261 1.765 1.00 0.00 N ATOM 0 H HIS A 15 -6.845 14.440 -0.689 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.359 16.674 0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.284 14.753 -1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.980 13.677 0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.149 13.514 1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.021 17.163 0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.239 15.054 2.398 1.00 0.00 H new ATOM 259 N GLN A 16 -7.360 14.665 2.594 1.00 0.00 N ATOM 260 CA GLN A 16 -7.332 14.564 4.081 1.00 0.00 C ATOM 261 C GLN A 16 -6.802 15.858 4.716 1.00 0.00 C ATOM 262 O GLN A 16 -7.300 16.289 5.737 1.00 0.00 O ATOM 263 CB GLN A 16 -6.438 13.388 4.496 1.00 0.00 C ATOM 264 CG GLN A 16 -7.116 12.063 4.132 1.00 0.00 C ATOM 265 CD GLN A 16 -8.353 11.861 5.013 1.00 0.00 C ATOM 266 OE1 GLN A 16 -8.276 11.973 6.221 1.00 0.00 O ATOM 267 NE2 GLN A 16 -9.497 11.572 4.458 1.00 0.00 N ATOM 0 H GLN A 16 -6.794 13.977 2.097 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.351 14.403 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.472 13.461 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.247 13.426 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.402 12.066 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.419 11.236 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.563 11.478 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.326 11.440 5.037 1.00 0.00 H new ATOM 276 N TYR A 17 -5.798 16.481 4.152 1.00 0.00 N ATOM 277 CA TYR A 17 -5.261 17.744 4.782 1.00 0.00 C ATOM 278 C TYR A 17 -5.931 18.995 4.204 1.00 0.00 C ATOM 279 O TYR A 17 -5.997 20.022 4.848 1.00 0.00 O ATOM 280 CB TYR A 17 -3.754 17.824 4.541 1.00 0.00 C ATOM 281 CG TYR A 17 -3.064 16.822 5.428 1.00 0.00 C ATOM 282 CD1 TYR A 17 -3.016 15.479 5.051 1.00 0.00 C ATOM 283 CD2 TYR A 17 -2.480 17.237 6.631 1.00 0.00 C ATOM 284 CE1 TYR A 17 -2.384 14.545 5.873 1.00 0.00 C ATOM 285 CE2 TYR A 17 -1.844 16.307 7.457 1.00 0.00 C ATOM 286 CZ TYR A 17 -1.794 14.957 7.078 1.00 0.00 C ATOM 287 OH TYR A 17 -1.169 14.033 7.891 1.00 0.00 O ATOM 0 H TYR A 17 -5.328 16.183 3.297 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.478 17.708 5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.528 17.619 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.391 18.829 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.468 15.162 4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.521 18.277 6.921 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.349 13.506 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.392 16.626 8.385 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.364 13.128 7.568 1.00 0.00 H new ATOM 297 N SER A 18 -6.412 18.929 3.003 1.00 0.00 N ATOM 298 CA SER A 18 -7.056 20.126 2.395 1.00 0.00 C ATOM 299 C SER A 18 -8.250 20.554 3.247 1.00 0.00 C ATOM 300 O SER A 18 -8.489 21.726 3.459 1.00 0.00 O ATOM 301 CB SER A 18 -7.519 19.787 0.979 1.00 0.00 C ATOM 302 OG SER A 18 -6.384 19.477 0.185 1.00 0.00 O ATOM 0 H SER A 18 -6.390 18.099 2.411 1.00 0.00 H new ATOM 0 HA SER A 18 -6.339 20.946 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.207 18.941 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.062 20.629 0.548 1.00 0.00 H new ATOM 0 HG SER A 18 -6.586 19.655 -0.757 1.00 0.00 H new ATOM 308 N GLY A 19 -8.998 19.609 3.738 1.00 0.00 N ATOM 309 CA GLY A 19 -10.180 19.949 4.586 1.00 0.00 C ATOM 310 C GLY A 19 -9.723 20.209 6.023 1.00 0.00 C ATOM 311 O GLY A 19 -10.333 19.751 6.969 1.00 0.00 O ATOM 0 H GLY A 19 -8.844 18.612 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.684 20.830 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.902 19.133 4.565 1.00 0.00 H new ATOM 315 N ARG A 20 -8.646 20.926 6.199 1.00 0.00 N ATOM 316 CA ARG A 20 -8.147 21.195 7.580 1.00 0.00 C ATOM 317 C ARG A 20 -8.951 22.331 8.229 1.00 0.00 C ATOM 318 O ARG A 20 -9.707 22.114 9.156 1.00 0.00 O ATOM 319 CB ARG A 20 -6.655 21.589 7.497 1.00 0.00 C ATOM 320 CG ARG A 20 -5.757 20.354 7.679 1.00 0.00 C ATOM 321 CD ARG A 20 -5.608 20.039 9.172 1.00 0.00 C ATOM 322 NE ARG A 20 -4.608 18.949 9.351 1.00 0.00 N ATOM 323 CZ ARG A 20 -4.102 18.714 10.530 1.00 0.00 C ATOM 324 NH1 ARG A 20 -4.499 19.410 11.561 1.00 0.00 N ATOM 325 NH2 ARG A 20 -3.204 17.780 10.680 1.00 0.00 N ATOM 0 H ARG A 20 -8.091 21.337 5.449 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.265 20.300 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.450 22.055 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.425 22.328 8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.188 19.499 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.778 20.536 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.291 20.931 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.569 19.738 9.589 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.319 18.386 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.205 20.137 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.104 19.226 12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.897 17.233 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.808 17.596 11.602 1.00 0.00 H new ATOM 339 N GLU A 21 -8.778 23.539 7.758 1.00 0.00 N ATOM 340 CA GLU A 21 -9.514 24.706 8.350 1.00 0.00 C ATOM 341 C GLU A 21 -10.612 25.181 7.396 1.00 0.00 C ATOM 342 O GLU A 21 -11.476 25.947 7.774 1.00 0.00 O ATOM 343 CB GLU A 21 -8.527 25.850 8.594 1.00 0.00 C ATOM 344 CG GLU A 21 -7.824 26.197 7.284 1.00 0.00 C ATOM 345 CD GLU A 21 -6.779 27.286 7.532 1.00 0.00 C ATOM 346 OE1 GLU A 21 -6.885 27.963 8.541 1.00 0.00 O ATOM 347 OE2 GLU A 21 -5.889 27.421 6.710 1.00 0.00 O ATOM 0 H GLU A 21 -8.156 23.773 6.984 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.971 24.399 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.053 26.723 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.795 25.560 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.346 25.309 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.552 26.539 6.549 1.00 0.00 H new ATOM 354 N GLY A 22 -10.598 24.732 6.164 1.00 0.00 N ATOM 355 CA GLY A 22 -11.659 25.162 5.199 1.00 0.00 C ATOM 356 C GLY A 22 -11.073 25.360 3.796 1.00 0.00 C ATOM 357 O GLY A 22 -11.804 25.501 2.836 1.00 0.00 O ATOM 0 H GLY A 22 -9.902 24.090 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.450 24.413 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.114 26.091 5.542 1.00 0.00 H new ATOM 361 N ASP A 23 -9.773 25.374 3.650 1.00 0.00 N ATOM 362 CA ASP A 23 -9.196 25.564 2.287 1.00 0.00 C ATOM 363 C ASP A 23 -9.227 24.221 1.551 1.00 0.00 C ATOM 364 O ASP A 23 -8.215 23.575 1.364 1.00 0.00 O ATOM 365 CB ASP A 23 -7.757 26.067 2.408 1.00 0.00 C ATOM 366 CG ASP A 23 -7.693 27.172 3.465 1.00 0.00 C ATOM 367 OD1 ASP A 23 -8.566 28.024 3.456 1.00 0.00 O ATOM 368 OD2 ASP A 23 -6.770 27.150 4.262 1.00 0.00 O ATOM 0 H ASP A 23 -9.095 25.264 4.404 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.777 26.299 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.095 25.246 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.411 26.447 1.447 1.00 0.00 H new ATOM 373 N LYS A 24 -10.396 23.795 1.151 1.00 0.00 N ATOM 374 CA LYS A 24 -10.530 22.488 0.444 1.00 0.00 C ATOM 375 C LYS A 24 -9.915 22.578 -0.951 1.00 0.00 C ATOM 376 O LYS A 24 -9.201 21.698 -1.388 1.00 0.00 O ATOM 377 CB LYS A 24 -12.013 22.166 0.284 1.00 0.00 C ATOM 378 CG LYS A 24 -12.688 22.163 1.658 1.00 0.00 C ATOM 379 CD LYS A 24 -14.223 22.036 1.499 1.00 0.00 C ATOM 380 CE LYS A 24 -14.927 22.827 2.603 1.00 0.00 C ATOM 381 NZ LYS A 24 -14.608 22.225 3.929 1.00 0.00 N ATOM 0 H LYS A 24 -11.271 24.301 1.285 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.020 21.718 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.488 22.903 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.135 21.194 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.307 21.335 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.445 23.081 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.528 22.409 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.517 20.987 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.607 23.869 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.005 22.820 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.226 22.639 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.761 21.197 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.615 22.419 4.168 1.00 0.00 H new ATOM 395 N HIS A 25 -10.214 23.631 -1.664 1.00 0.00 N ATOM 396 CA HIS A 25 -9.676 23.776 -3.055 1.00 0.00 C ATOM 397 C HIS A 25 -8.323 24.486 -3.036 1.00 0.00 C ATOM 398 O HIS A 25 -7.705 24.673 -4.066 1.00 0.00 O ATOM 399 CB HIS A 25 -10.649 24.601 -3.897 1.00 0.00 C ATOM 400 CG HIS A 25 -11.903 23.811 -4.148 1.00 0.00 C ATOM 401 ND1 HIS A 25 -13.054 23.997 -3.397 1.00 0.00 N ATOM 402 CD2 HIS A 25 -12.207 22.838 -5.069 1.00 0.00 C ATOM 403 CE1 HIS A 25 -13.990 23.157 -3.874 1.00 0.00 C ATOM 404 NE2 HIS A 25 -13.524 22.430 -4.892 1.00 0.00 N ATOM 0 H HIS A 25 -10.807 24.398 -1.347 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.555 22.781 -3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.891 25.531 -3.382 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.184 24.873 -4.845 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.528 22.450 -5.814 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -14.994 23.080 -3.482 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -14.028 21.723 -5.428 1.00 0.00 H new ATOM 413 N LYS A 26 -7.853 24.886 -1.885 1.00 0.00 N ATOM 414 CA LYS A 26 -6.534 25.587 -1.815 1.00 0.00 C ATOM 415 C LYS A 26 -5.771 25.084 -0.595 1.00 0.00 C ATOM 416 O LYS A 26 -6.350 24.704 0.402 1.00 0.00 O ATOM 417 CB LYS A 26 -6.759 27.097 -1.719 1.00 0.00 C ATOM 418 CG LYS A 26 -5.432 27.831 -1.929 1.00 0.00 C ATOM 419 CD LYS A 26 -5.655 29.347 -1.823 1.00 0.00 C ATOM 420 CE LYS A 26 -6.595 29.833 -2.938 1.00 0.00 C ATOM 421 NZ LYS A 26 -8.010 29.711 -2.483 1.00 0.00 N ATOM 0 H LYS A 26 -8.324 24.759 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.952 25.380 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.484 27.415 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.176 27.351 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.705 27.508 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.019 27.582 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.080 29.591 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.699 29.867 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.371 30.869 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.440 29.244 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.513 29.034 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.031 29.374 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.474 30.640 -2.540 1.00 0.00 H new ATOM 435 N LEU A 27 -4.470 25.052 -0.686 1.00 0.00 N ATOM 436 CA LEU A 27 -3.627 24.548 0.440 1.00 0.00 C ATOM 437 C LEU A 27 -2.694 25.674 0.900 1.00 0.00 C ATOM 438 O LEU A 27 -1.975 26.251 0.113 1.00 0.00 O ATOM 439 CB LEU A 27 -2.814 23.359 -0.086 1.00 0.00 C ATOM 440 CG LEU A 27 -2.185 22.560 1.066 1.00 0.00 C ATOM 441 CD1 LEU A 27 -3.222 21.617 1.701 1.00 0.00 C ATOM 442 CD2 LEU A 27 -1.035 21.719 0.511 1.00 0.00 C ATOM 0 H LEU A 27 -3.945 25.358 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.237 24.233 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.459 22.706 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.030 23.718 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.826 23.256 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.757 21.060 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.055 22.202 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.589 20.920 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.580 21.147 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.417 21.035 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.287 22.375 0.065 1.00 0.00 H new ATOM 454 N LYS A 28 -2.711 26.005 2.167 1.00 0.00 N ATOM 455 CA LYS A 28 -1.839 27.103 2.674 1.00 0.00 C ATOM 456 C LYS A 28 -0.522 26.512 3.179 1.00 0.00 C ATOM 457 O LYS A 28 -0.483 25.397 3.661 1.00 0.00 O ATOM 458 CB LYS A 28 -2.567 27.800 3.833 1.00 0.00 C ATOM 459 CG LYS A 28 -1.749 28.989 4.340 1.00 0.00 C ATOM 460 CD LYS A 28 -2.493 29.666 5.493 1.00 0.00 C ATOM 461 CE LYS A 28 -1.695 30.882 5.970 1.00 0.00 C ATOM 462 NZ LYS A 28 -0.385 30.432 6.519 1.00 0.00 N ATOM 0 H LYS A 28 -3.295 25.558 2.874 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.628 27.818 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.548 28.140 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.732 27.092 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.768 28.653 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.584 29.701 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.487 29.974 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.630 28.963 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.536 31.574 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.255 31.421 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.178 31.261 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.546 29.829 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.128 29.892 5.794 1.00 0.00 H new ATOM 476 N LYS A 29 0.559 27.250 3.083 1.00 0.00 N ATOM 477 CA LYS A 29 1.870 26.733 3.571 1.00 0.00 C ATOM 478 C LYS A 29 1.658 26.110 4.948 1.00 0.00 C ATOM 479 O LYS A 29 2.422 25.284 5.407 1.00 0.00 O ATOM 480 CB LYS A 29 2.874 27.894 3.673 1.00 0.00 C ATOM 481 CG LYS A 29 2.535 28.814 4.860 1.00 0.00 C ATOM 482 CD LYS A 29 3.396 30.094 4.800 1.00 0.00 C ATOM 483 CE LYS A 29 2.703 31.160 3.943 1.00 0.00 C ATOM 484 NZ LYS A 29 1.408 31.537 4.577 1.00 0.00 N ATOM 0 H LYS A 29 0.586 28.189 2.686 1.00 0.00 H new ATOM 0 HA LYS A 29 2.263 25.987 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.883 27.498 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.865 28.470 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.477 29.076 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.713 28.290 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.561 30.477 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.376 29.862 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.343 32.037 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.531 30.778 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.126 32.485 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.676 30.848 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.516 31.541 5.611 1.00 0.00 H new ATOM 498 N SER A 30 0.609 26.517 5.599 1.00 0.00 N ATOM 499 CA SER A 30 0.299 25.974 6.952 1.00 0.00 C ATOM 500 C SER A 30 -0.269 24.566 6.806 1.00 0.00 C ATOM 501 O SER A 30 0.166 23.636 7.456 1.00 0.00 O ATOM 502 CB SER A 30 -0.729 26.875 7.637 1.00 0.00 C ATOM 503 OG SER A 30 -1.976 26.758 6.964 1.00 0.00 O ATOM 0 H SER A 30 -0.055 27.209 5.251 1.00 0.00 H new ATOM 0 HA SER A 30 1.207 25.941 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.839 26.591 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.390 27.911 7.622 1.00 0.00 H new ATOM 0 HG SER A 30 -2.697 27.058 7.556 1.00 0.00 H new ATOM 509 N GLU A 31 -1.225 24.398 5.937 1.00 0.00 N ATOM 510 CA GLU A 31 -1.806 23.050 5.721 1.00 0.00 C ATOM 511 C GLU A 31 -0.728 22.166 5.099 1.00 0.00 C ATOM 512 O GLU A 31 -0.642 20.989 5.368 1.00 0.00 O ATOM 513 CB GLU A 31 -3.011 23.153 4.782 1.00 0.00 C ATOM 514 CG GLU A 31 -4.163 23.857 5.504 1.00 0.00 C ATOM 515 CD GLU A 31 -5.358 23.992 4.557 1.00 0.00 C ATOM 516 OE1 GLU A 31 -5.171 23.803 3.370 1.00 0.00 O ATOM 517 OE2 GLU A 31 -6.436 24.295 5.032 1.00 0.00 O ATOM 0 H GLU A 31 -1.629 25.141 5.366 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.141 22.622 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.739 23.706 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.322 22.159 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.450 23.290 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.844 24.842 5.845 1.00 0.00 H new ATOM 524 N LEU A 32 0.094 22.744 4.265 1.00 0.00 N ATOM 525 CA LEU A 32 1.187 21.974 3.605 1.00 0.00 C ATOM 526 C LEU A 32 2.125 21.384 4.653 1.00 0.00 C ATOM 527 O LEU A 32 2.553 20.261 4.540 1.00 0.00 O ATOM 528 CB LEU A 32 1.972 22.920 2.692 1.00 0.00 C ATOM 529 CG LEU A 32 3.140 22.189 2.015 1.00 0.00 C ATOM 530 CD1 LEU A 32 2.636 20.950 1.258 1.00 0.00 C ATOM 531 CD2 LEU A 32 3.815 23.156 1.033 1.00 0.00 C ATOM 0 H LEU A 32 0.054 23.731 4.010 1.00 0.00 H new ATOM 0 HA LEU A 32 0.757 21.159 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.308 23.333 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.352 23.760 3.273 1.00 0.00 H new ATOM 0 HG LEU A 32 3.851 21.860 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.478 20.445 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.151 20.269 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.921 21.256 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.648 22.653 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.092 23.477 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.185 24.026 1.575 1.00 0.00 H new ATOM 543 N LYS A 33 2.460 22.131 5.663 1.00 0.00 N ATOM 544 CA LYS A 33 3.383 21.587 6.705 1.00 0.00 C ATOM 545 C LYS A 33 2.752 20.360 7.373 1.00 0.00 C ATOM 546 O LYS A 33 3.422 19.394 7.681 1.00 0.00 O ATOM 547 CB LYS A 33 3.669 22.656 7.765 1.00 0.00 C ATOM 548 CG LYS A 33 4.666 22.100 8.792 1.00 0.00 C ATOM 549 CD LYS A 33 4.976 23.166 9.841 1.00 0.00 C ATOM 550 CE LYS A 33 6.044 22.634 10.800 1.00 0.00 C ATOM 551 NZ LYS A 33 6.287 23.632 11.879 1.00 0.00 N ATOM 0 H LYS A 33 2.141 23.087 5.816 1.00 0.00 H new ATOM 0 HA LYS A 33 4.319 21.297 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.076 23.551 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.744 22.949 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.251 21.214 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.584 21.791 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.326 24.078 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.072 23.425 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.720 21.687 11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.969 22.437 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.013 23.270 12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.614 24.525 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.404 23.799 12.403 1.00 0.00 H new ATOM 565 N GLU A 34 1.474 20.405 7.626 1.00 0.00 N ATOM 566 CA GLU A 34 0.796 19.269 8.302 1.00 0.00 C ATOM 567 C GLU A 34 0.789 18.046 7.388 1.00 0.00 C ATOM 568 O GLU A 34 0.948 16.935 7.827 1.00 0.00 O ATOM 569 CB GLU A 34 -0.640 19.669 8.639 1.00 0.00 C ATOM 570 CG GLU A 34 -0.629 20.813 9.653 1.00 0.00 C ATOM 571 CD GLU A 34 -2.069 21.206 9.983 1.00 0.00 C ATOM 572 OE1 GLU A 34 -2.961 20.731 9.301 1.00 0.00 O ATOM 573 OE2 GLU A 34 -2.256 21.975 10.912 1.00 0.00 O ATOM 0 H GLU A 34 0.866 21.189 7.390 1.00 0.00 H new ATOM 0 HA GLU A 34 1.332 19.021 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.164 19.977 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.180 18.814 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.106 20.507 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.090 21.669 9.248 1.00 0.00 H new ATOM 580 N LEU A 35 0.586 18.235 6.124 1.00 0.00 N ATOM 581 CA LEU A 35 0.573 17.071 5.201 1.00 0.00 C ATOM 582 C LEU A 35 1.959 16.426 5.196 1.00 0.00 C ATOM 583 O LEU A 35 2.105 15.228 5.321 1.00 0.00 O ATOM 584 CB LEU A 35 0.215 17.562 3.796 1.00 0.00 C ATOM 585 CG LEU A 35 0.159 16.377 2.811 1.00 0.00 C ATOM 586 CD1 LEU A 35 -0.667 16.787 1.585 1.00 0.00 C ATOM 587 CD2 LEU A 35 1.582 15.944 2.369 1.00 0.00 C ATOM 0 H LEU A 35 0.428 19.142 5.686 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.163 16.335 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.748 18.072 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.954 18.289 3.459 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.307 15.528 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.712 15.955 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.677 17.053 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.200 17.645 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.508 15.107 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.080 16.780 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.158 15.641 3.243 1.00 0.00 H new ATOM 599 N ILE A 36 2.976 17.221 5.037 1.00 0.00 N ATOM 600 CA ILE A 36 4.365 16.684 4.996 1.00 0.00 C ATOM 601 C ILE A 36 4.842 16.272 6.394 1.00 0.00 C ATOM 602 O ILE A 36 5.469 15.248 6.568 1.00 0.00 O ATOM 603 CB ILE A 36 5.296 17.775 4.442 1.00 0.00 C ATOM 604 CG1 ILE A 36 4.849 18.166 3.031 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.742 17.270 4.378 1.00 0.00 C ATOM 606 CD1 ILE A 36 5.669 19.367 2.552 1.00 0.00 C ATOM 0 H ILE A 36 2.905 18.233 4.932 1.00 0.00 H new ATOM 0 HA ILE A 36 4.382 15.800 4.358 1.00 0.00 H new ATOM 0 HB ILE A 36 5.246 18.638 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.982 17.326 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.787 18.413 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.385 18.057 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.076 16.996 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.794 16.398 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.352 19.647 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.513 20.207 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.727 19.103 2.538 1.00 0.00 H new ATOM 618 N ASN A 37 4.600 17.083 7.380 1.00 0.00 N ATOM 619 CA ASN A 37 5.095 16.758 8.748 1.00 0.00 C ATOM 620 C ASN A 37 4.367 15.558 9.358 1.00 0.00 C ATOM 621 O ASN A 37 4.950 14.772 10.076 1.00 0.00 O ATOM 622 CB ASN A 37 4.900 17.978 9.652 1.00 0.00 C ATOM 623 CG ASN A 37 5.400 17.658 11.062 1.00 0.00 C ATOM 624 OD1 ASN A 37 6.668 17.789 11.339 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 4.627 17.286 11.923 1.00 0.00 N flip ATOM 0 H ASN A 37 4.081 17.958 7.301 1.00 0.00 H new ATOM 0 HA ASN A 37 6.150 16.498 8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.443 18.833 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.846 18.255 9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.635 17.183 11.708 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.970 17.077 12.861 1.00 0.00 H new ATOM 632 N ASN A 38 3.090 15.454 9.140 1.00 0.00 N ATOM 633 CA ASN A 38 2.292 14.347 9.772 1.00 0.00 C ATOM 634 C ASN A 38 2.055 13.155 8.837 1.00 0.00 C ATOM 635 O ASN A 38 1.993 12.028 9.288 1.00 0.00 O ATOM 636 CB ASN A 38 0.934 14.910 10.195 1.00 0.00 C ATOM 637 CG ASN A 38 1.158 16.094 11.131 1.00 0.00 C ATOM 638 OD1 ASN A 38 2.377 16.498 11.354 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 0.221 16.659 11.658 1.00 0.00 N flip ATOM 0 H ASN A 38 2.552 16.087 8.549 1.00 0.00 H new ATOM 0 HA ASN A 38 2.868 13.979 10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.367 15.225 9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.346 14.140 10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.732 16.340 11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.387 17.452 12.277 1.00 0.00 H new ATOM 646 N GLU A 39 1.872 13.369 7.559 1.00 0.00 N ATOM 647 CA GLU A 39 1.585 12.207 6.656 1.00 0.00 C ATOM 648 C GLU A 39 2.879 11.657 6.057 1.00 0.00 C ATOM 649 O GLU A 39 2.925 10.525 5.618 1.00 0.00 O ATOM 650 CB GLU A 39 0.653 12.670 5.521 1.00 0.00 C ATOM 651 CG GLU A 39 -0.093 11.465 4.933 1.00 0.00 C ATOM 652 CD GLU A 39 -1.246 11.074 5.862 1.00 0.00 C ATOM 653 OE1 GLU A 39 -1.249 11.529 6.993 1.00 0.00 O ATOM 654 OE2 GLU A 39 -2.109 10.331 5.424 1.00 0.00 O ATOM 0 H GLU A 39 1.907 14.281 7.105 1.00 0.00 H new ATOM 0 HA GLU A 39 1.108 11.418 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.061 13.401 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.233 13.165 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.477 11.710 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.591 10.625 4.811 1.00 0.00 H new ATOM 661 N LEU A 40 3.926 12.443 6.037 1.00 0.00 N ATOM 662 CA LEU A 40 5.226 11.969 5.455 1.00 0.00 C ATOM 663 C LEU A 40 6.301 11.962 6.546 1.00 0.00 C ATOM 664 O LEU A 40 7.472 12.138 6.273 1.00 0.00 O ATOM 665 CB LEU A 40 5.657 12.920 4.330 1.00 0.00 C ATOM 666 CG LEU A 40 4.499 13.142 3.347 1.00 0.00 C ATOM 667 CD1 LEU A 40 4.977 14.027 2.193 1.00 0.00 C ATOM 668 CD2 LEU A 40 4.021 11.797 2.789 1.00 0.00 C ATOM 0 H LEU A 40 3.940 13.396 6.399 1.00 0.00 H new ATOM 0 HA LEU A 40 5.100 10.962 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.973 13.874 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.516 12.505 3.803 1.00 0.00 H new ATOM 0 HG LEU A 40 3.674 13.627 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.157 14.187 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.311 14.987 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.804 13.538 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.199 11.963 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.844 11.306 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.680 11.164 3.608 1.00 0.00 H new ATOM 680 N SER A 41 5.917 11.785 7.781 1.00 0.00 N ATOM 681 CA SER A 41 6.925 11.799 8.880 1.00 0.00 C ATOM 682 C SER A 41 7.831 10.563 8.813 1.00 0.00 C ATOM 683 O SER A 41 9.033 10.672 8.685 1.00 0.00 O ATOM 684 CB SER A 41 6.205 11.818 10.230 1.00 0.00 C ATOM 685 OG SER A 41 7.102 12.278 11.233 1.00 0.00 O ATOM 0 H SER A 41 4.953 11.632 8.076 1.00 0.00 H new ATOM 0 HA SER A 41 7.542 12.690 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.332 12.468 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.845 10.819 10.478 1.00 0.00 H new ATOM 0 HG SER A 41 6.644 12.293 12.099 1.00 0.00 H new ATOM 691 N HIS A 42 7.270 9.392 8.925 1.00 0.00 N ATOM 692 CA HIS A 42 8.110 8.160 8.891 1.00 0.00 C ATOM 693 C HIS A 42 8.562 7.855 7.461 1.00 0.00 C ATOM 694 O HIS A 42 9.683 7.453 7.225 1.00 0.00 O ATOM 695 CB HIS A 42 7.294 6.978 9.416 1.00 0.00 C ATOM 696 CG HIS A 42 8.173 5.761 9.500 1.00 0.00 C ATOM 697 ND1 HIS A 42 9.123 5.602 10.500 1.00 0.00 N ATOM 698 CD2 HIS A 42 8.262 4.637 8.715 1.00 0.00 C ATOM 699 CE1 HIS A 42 9.736 4.422 10.293 1.00 0.00 C ATOM 700 NE2 HIS A 42 9.248 3.797 9.220 1.00 0.00 N ATOM 0 H HIS A 42 6.269 9.233 9.038 1.00 0.00 H new ATOM 0 HA HIS A 42 8.989 8.320 9.515 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.885 7.213 10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.448 6.784 8.756 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.660 4.437 7.841 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.525 4.030 10.918 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.538 2.892 8.848 1.00 0.00 H new ATOM 709 N PHE A 43 7.685 8.010 6.512 1.00 0.00 N ATOM 710 CA PHE A 43 8.043 7.695 5.101 1.00 0.00 C ATOM 711 C PHE A 43 9.046 8.720 4.542 1.00 0.00 C ATOM 712 O PHE A 43 9.813 8.414 3.651 1.00 0.00 O ATOM 713 CB PHE A 43 6.756 7.657 4.259 1.00 0.00 C ATOM 714 CG PHE A 43 7.064 7.587 2.772 1.00 0.00 C ATOM 715 CD1 PHE A 43 8.092 6.762 2.280 1.00 0.00 C ATOM 716 CD2 PHE A 43 6.305 8.355 1.878 1.00 0.00 C ATOM 717 CE1 PHE A 43 8.354 6.714 0.906 1.00 0.00 C ATOM 718 CE2 PHE A 43 6.573 8.303 0.506 1.00 0.00 C ATOM 719 CZ PHE A 43 7.597 7.486 0.020 1.00 0.00 C ATOM 0 H PHE A 43 6.731 8.343 6.652 1.00 0.00 H new ATOM 0 HA PHE A 43 8.529 6.720 5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.156 6.794 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.158 8.545 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.679 6.166 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.512 8.988 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.143 6.079 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.986 8.896 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.804 7.451 -1.039 1.00 0.00 H new ATOM 729 N LEU A 44 9.061 9.930 5.057 1.00 0.00 N ATOM 730 CA LEU A 44 10.030 10.960 4.551 1.00 0.00 C ATOM 731 C LEU A 44 10.568 11.743 5.746 1.00 0.00 C ATOM 732 O LEU A 44 10.004 11.713 6.819 1.00 0.00 O ATOM 733 CB LEU A 44 9.323 11.926 3.580 1.00 0.00 C ATOM 734 CG LEU A 44 10.361 12.618 2.661 1.00 0.00 C ATOM 735 CD1 LEU A 44 10.636 11.751 1.425 1.00 0.00 C ATOM 736 CD2 LEU A 44 9.828 13.981 2.197 1.00 0.00 C ATOM 0 H LEU A 44 8.445 10.249 5.805 1.00 0.00 H new ATOM 0 HA LEU A 44 10.845 10.468 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.599 11.380 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.767 12.676 4.143 1.00 0.00 H new ATOM 0 HG LEU A 44 11.283 12.754 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.367 12.248 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.027 10.783 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.710 11.605 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.565 14.459 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.899 13.840 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.641 14.613 3.065 1.00 0.00 H new ATOM 748 N GLU A 45 11.656 12.435 5.581 1.00 0.00 N ATOM 749 CA GLU A 45 12.209 13.198 6.724 1.00 0.00 C ATOM 750 C GLU A 45 11.183 14.234 7.191 1.00 0.00 C ATOM 751 O GLU A 45 10.843 15.162 6.483 1.00 0.00 O ATOM 752 CB GLU A 45 13.493 13.906 6.286 1.00 0.00 C ATOM 753 CG GLU A 45 14.143 14.599 7.485 1.00 0.00 C ATOM 754 CD GLU A 45 14.623 13.548 8.489 1.00 0.00 C ATOM 755 OE1 GLU A 45 14.781 12.405 8.090 1.00 0.00 O ATOM 756 OE2 GLU A 45 14.824 13.902 9.639 1.00 0.00 O ATOM 0 H GLU A 45 12.182 12.504 4.710 1.00 0.00 H new ATOM 0 HA GLU A 45 12.432 12.517 7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.186 13.185 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.268 14.638 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.983 15.210 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.429 15.271 7.961 1.00 0.00 H new ATOM 763 N GLU A 46 10.698 14.072 8.387 1.00 0.00 N ATOM 764 CA GLU A 46 9.694 15.025 8.944 1.00 0.00 C ATOM 765 C GLU A 46 10.279 16.442 8.964 1.00 0.00 C ATOM 766 O GLU A 46 11.453 16.641 9.200 1.00 0.00 O ATOM 767 CB GLU A 46 9.346 14.601 10.378 1.00 0.00 C ATOM 768 CG GLU A 46 8.295 15.548 10.964 1.00 0.00 C ATOM 769 CD GLU A 46 7.930 15.094 12.378 1.00 0.00 C ATOM 770 OE1 GLU A 46 8.403 14.046 12.784 1.00 0.00 O ATOM 771 OE2 GLU A 46 7.183 15.803 13.032 1.00 0.00 O ATOM 0 H GLU A 46 10.956 13.310 9.014 1.00 0.00 H new ATOM 0 HA GLU A 46 8.798 15.015 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.969 13.578 10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.243 14.612 10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.681 16.567 10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.406 15.557 10.333 1.00 0.00 H new ATOM 778 N ILE A 47 9.455 17.427 8.725 1.00 0.00 N ATOM 779 CA ILE A 47 9.932 18.838 8.736 1.00 0.00 C ATOM 780 C ILE A 47 9.970 19.303 10.191 1.00 0.00 C ATOM 781 O ILE A 47 9.112 18.957 10.979 1.00 0.00 O ATOM 782 CB ILE A 47 8.968 19.730 7.930 1.00 0.00 C ATOM 783 CG1 ILE A 47 8.696 19.103 6.541 1.00 0.00 C ATOM 784 CG2 ILE A 47 9.570 21.139 7.766 1.00 0.00 C ATOM 785 CD1 ILE A 47 9.842 19.392 5.558 1.00 0.00 C ATOM 0 H ILE A 47 8.462 17.312 8.521 1.00 0.00 H new ATOM 0 HA ILE A 47 10.921 18.907 8.283 1.00 0.00 H new ATOM 0 HB ILE A 47 8.024 19.808 8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.568 18.026 6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.763 19.497 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.883 21.764 7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.732 21.582 8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.521 21.069 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.617 18.937 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.952 20.469 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.770 18.975 5.949 1.00 0.00 H new ATOM 797 N LYS A 48 10.976 20.046 10.567 1.00 0.00 N ATOM 798 CA LYS A 48 11.100 20.490 11.990 1.00 0.00 C ATOM 799 C LYS A 48 10.742 21.972 12.127 1.00 0.00 C ATOM 800 O LYS A 48 10.488 22.451 13.215 1.00 0.00 O ATOM 801 CB LYS A 48 12.554 20.278 12.431 1.00 0.00 C ATOM 802 CG LYS A 48 13.086 18.954 11.860 1.00 0.00 C ATOM 803 CD LYS A 48 12.250 17.776 12.366 1.00 0.00 C ATOM 804 CE LYS A 48 12.862 16.472 11.853 1.00 0.00 C ATOM 805 NZ LYS A 48 14.065 16.133 12.666 1.00 0.00 N ATOM 0 H LYS A 48 11.721 20.367 9.949 1.00 0.00 H new ATOM 0 HA LYS A 48 10.416 19.912 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.172 21.107 12.087 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.615 20.265 13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.060 18.985 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.128 18.819 12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.222 17.775 13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.220 17.870 12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.130 15.666 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.137 16.575 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.850 15.875 12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.339 16.956 13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.847 15.331 13.292 1.00 0.00 H new ATOM 819 N GLU A 49 10.743 22.709 11.046 1.00 0.00 N ATOM 820 CA GLU A 49 10.427 24.171 11.133 1.00 0.00 C ATOM 821 C GLU A 49 9.528 24.613 9.978 1.00 0.00 C ATOM 822 O GLU A 49 9.557 24.064 8.895 1.00 0.00 O ATOM 823 CB GLU A 49 11.731 24.964 11.061 1.00 0.00 C ATOM 824 CG GLU A 49 12.530 24.794 12.351 1.00 0.00 C ATOM 825 CD GLU A 49 11.785 25.445 13.519 1.00 0.00 C ATOM 826 OE1 GLU A 49 10.945 26.292 13.264 1.00 0.00 O ATOM 827 OE2 GLU A 49 12.068 25.085 14.650 1.00 0.00 O ATOM 0 H GLU A 49 10.948 22.365 10.108 1.00 0.00 H new ATOM 0 HA GLU A 49 9.907 24.354 12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.324 24.625 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.514 26.019 10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.687 23.735 12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.515 25.246 12.240 1.00 0.00 H new ATOM 834 N GLN A 50 8.756 25.636 10.213 1.00 0.00 N ATOM 835 CA GLN A 50 7.866 26.182 9.155 1.00 0.00 C ATOM 836 C GLN A 50 8.728 26.849 8.088 1.00 0.00 C ATOM 837 O GLN A 50 8.291 27.061 6.981 1.00 0.00 O ATOM 838 CB GLN A 50 6.918 27.218 9.786 1.00 0.00 C ATOM 839 CG GLN A 50 6.172 28.015 8.704 1.00 0.00 C ATOM 840 CD GLN A 50 5.435 27.062 7.764 1.00 0.00 C ATOM 841 OE1 GLN A 50 5.544 27.176 6.559 1.00 0.00 O ATOM 842 NE2 GLN A 50 4.678 26.126 8.264 1.00 0.00 N ATOM 0 H GLN A 50 8.704 26.123 11.108 1.00 0.00 H new ATOM 0 HA GLN A 50 7.277 25.384 8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.199 26.713 10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.488 27.900 10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.463 28.700 9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.878 28.623 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.586 26.030 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.177 25.489 7.644 1.00 0.00 H new ATOM 851 N GLU A 51 9.940 27.206 8.419 1.00 0.00 N ATOM 852 CA GLU A 51 10.810 27.883 7.414 1.00 0.00 C ATOM 853 C GLU A 51 11.109 26.946 6.242 1.00 0.00 C ATOM 854 O GLU A 51 11.131 27.363 5.108 1.00 0.00 O ATOM 855 CB GLU A 51 12.119 28.326 8.081 1.00 0.00 C ATOM 856 CG GLU A 51 13.022 27.113 8.313 1.00 0.00 C ATOM 857 CD GLU A 51 14.155 27.495 9.267 1.00 0.00 C ATOM 858 OE1 GLU A 51 14.461 28.674 9.350 1.00 0.00 O ATOM 859 OE2 GLU A 51 14.697 26.604 9.900 1.00 0.00 O ATOM 0 H GLU A 51 10.363 27.059 9.335 1.00 0.00 H new ATOM 0 HA GLU A 51 10.286 28.758 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.629 29.055 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.905 28.818 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.443 26.290 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.432 26.765 7.365 1.00 0.00 H new ATOM 866 N VAL A 52 11.345 25.689 6.498 1.00 0.00 N ATOM 867 CA VAL A 52 11.640 24.758 5.373 1.00 0.00 C ATOM 868 C VAL A 52 10.449 24.731 4.443 1.00 0.00 C ATOM 869 O VAL A 52 10.583 24.685 3.241 1.00 0.00 O ATOM 870 CB VAL A 52 11.892 23.349 5.907 1.00 0.00 C ATOM 871 CG1 VAL A 52 12.079 22.383 4.735 1.00 0.00 C ATOM 872 CG2 VAL A 52 13.144 23.342 6.779 1.00 0.00 C ATOM 0 H VAL A 52 11.347 25.269 7.428 1.00 0.00 H new ATOM 0 HA VAL A 52 12.529 25.099 4.843 1.00 0.00 H new ATOM 0 HB VAL A 52 11.037 23.034 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.259 21.378 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.180 22.381 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.931 22.701 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.319 22.335 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.002 23.661 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.007 24.025 7.617 1.00 0.00 H new ATOM 882 N VAL A 53 9.287 24.737 5.001 1.00 0.00 N ATOM 883 CA VAL A 53 8.064 24.697 4.176 1.00 0.00 C ATOM 884 C VAL A 53 7.922 25.991 3.390 1.00 0.00 C ATOM 885 O VAL A 53 7.448 25.993 2.285 1.00 0.00 O ATOM 886 CB VAL A 53 6.866 24.512 5.093 1.00 0.00 C ATOM 887 CG1 VAL A 53 5.591 24.423 4.257 1.00 0.00 C ATOM 888 CG2 VAL A 53 7.060 23.230 5.912 1.00 0.00 C ATOM 0 H VAL A 53 9.128 24.768 6.008 1.00 0.00 H new ATOM 0 HA VAL A 53 8.122 23.869 3.469 1.00 0.00 H new ATOM 0 HB VAL A 53 6.778 25.361 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.733 24.290 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.468 25.341 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.661 23.574 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.205 23.088 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.143 22.377 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.970 23.312 6.507 1.00 0.00 H new ATOM 898 N ASP A 54 8.318 27.090 3.960 1.00 0.00 N ATOM 899 CA ASP A 54 8.199 28.391 3.247 1.00 0.00 C ATOM 900 C ASP A 54 9.131 28.399 2.040 1.00 0.00 C ATOM 901 O ASP A 54 8.806 28.914 0.991 1.00 0.00 O ATOM 902 CB ASP A 54 8.573 29.530 4.199 1.00 0.00 C ATOM 903 CG ASP A 54 8.381 30.876 3.496 1.00 0.00 C ATOM 904 OD1 ASP A 54 8.381 30.893 2.276 1.00 0.00 O ATOM 905 OD2 ASP A 54 8.240 31.869 4.191 1.00 0.00 O ATOM 0 H ASP A 54 8.722 27.145 4.895 1.00 0.00 H new ATOM 0 HA ASP A 54 7.172 28.528 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.954 29.486 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.609 29.422 4.521 1.00 0.00 H new ATOM 910 N LYS A 55 10.284 27.823 2.190 1.00 0.00 N ATOM 911 CA LYS A 55 11.259 27.772 1.071 1.00 0.00 C ATOM 912 C LYS A 55 10.671 26.887 -0.010 1.00 0.00 C ATOM 913 O LYS A 55 10.740 27.174 -1.191 1.00 0.00 O ATOM 914 CB LYS A 55 12.573 27.178 1.578 1.00 0.00 C ATOM 915 CG LYS A 55 13.626 27.238 0.474 1.00 0.00 C ATOM 916 CD LYS A 55 14.982 26.828 1.048 1.00 0.00 C ATOM 917 CE LYS A 55 15.991 26.673 -0.088 1.00 0.00 C ATOM 918 NZ LYS A 55 16.196 27.992 -0.750 1.00 0.00 N ATOM 0 H LYS A 55 10.598 27.378 3.053 1.00 0.00 H new ATOM 0 HA LYS A 55 11.455 28.769 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.918 27.729 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.419 26.145 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.349 26.574 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.682 28.246 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.330 27.578 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.888 25.890 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.938 26.297 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.631 25.942 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.021 27.939 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.351 28.237 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.359 28.722 -0.027 1.00 0.00 H new ATOM 932 N VAL A 56 10.053 25.824 0.404 1.00 0.00 N ATOM 933 CA VAL A 56 9.407 24.914 -0.565 1.00 0.00 C ATOM 934 C VAL A 56 8.310 25.703 -1.267 1.00 0.00 C ATOM 935 O VAL A 56 8.031 25.510 -2.432 1.00 0.00 O ATOM 936 CB VAL A 56 8.807 23.714 0.181 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.810 22.976 -0.719 1.00 0.00 C ATOM 938 CG2 VAL A 56 9.930 22.757 0.578 1.00 0.00 C ATOM 0 H VAL A 56 9.968 25.546 1.382 1.00 0.00 H new ATOM 0 HA VAL A 56 10.127 24.538 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 56 8.287 24.071 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.391 22.127 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.007 23.655 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.321 22.620 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.509 21.903 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.446 22.410 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.637 23.275 1.227 1.00 0.00 H new ATOM 948 N MET A 57 7.682 26.589 -0.550 1.00 0.00 N ATOM 949 CA MET A 57 6.591 27.394 -1.155 1.00 0.00 C ATOM 950 C MET A 57 7.160 28.382 -2.168 1.00 0.00 C ATOM 951 O MET A 57 6.523 28.709 -3.134 1.00 0.00 O ATOM 952 CB MET A 57 5.800 28.112 -0.065 1.00 0.00 C ATOM 953 CG MET A 57 4.974 27.073 0.702 1.00 0.00 C ATOM 954 SD MET A 57 3.590 26.515 -0.322 1.00 0.00 S ATOM 955 CE MET A 57 2.439 27.849 0.088 1.00 0.00 C ATOM 0 H MET A 57 7.878 26.790 0.431 1.00 0.00 H new ATOM 0 HA MET A 57 5.909 26.728 -1.684 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.476 28.633 0.613 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.147 28.865 -0.505 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.602 26.225 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.601 27.505 1.631 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.657 27.466 0.743 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.977 28.651 0.594 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.989 28.235 -0.827 1.00 0.00 H new ATOM 965 N GLU A 58 8.365 28.842 -2.003 1.00 0.00 N ATOM 966 CA GLU A 58 8.910 29.772 -3.031 1.00 0.00 C ATOM 967 C GLU A 58 8.830 29.023 -4.352 1.00 0.00 C ATOM 968 O GLU A 58 8.561 29.572 -5.402 1.00 0.00 O ATOM 969 CB GLU A 58 10.378 30.080 -2.738 1.00 0.00 C ATOM 970 CG GLU A 58 10.503 30.731 -1.367 1.00 0.00 C ATOM 971 CD GLU A 58 9.915 32.142 -1.409 1.00 0.00 C ATOM 972 OE1 GLU A 58 10.004 32.769 -2.452 1.00 0.00 O ATOM 973 OE2 GLU A 58 9.386 32.572 -0.398 1.00 0.00 O ATOM 0 H GLU A 58 8.985 28.623 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 58 8.355 30.710 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.965 29.162 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.780 30.743 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.982 30.132 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.550 30.772 -1.068 1.00 0.00 H new ATOM 980 N THR A 59 9.072 27.750 -4.268 1.00 0.00 N ATOM 981 CA THR A 59 9.037 26.872 -5.458 1.00 0.00 C ATOM 982 C THR A 59 7.593 26.515 -5.848 1.00 0.00 C ATOM 983 O THR A 59 7.225 26.574 -7.004 1.00 0.00 O ATOM 984 CB THR A 59 9.790 25.593 -5.099 1.00 0.00 C ATOM 985 OG1 THR A 59 11.019 25.932 -4.471 1.00 0.00 O ATOM 986 CG2 THR A 59 10.073 24.783 -6.353 1.00 0.00 C ATOM 0 H THR A 59 9.299 27.270 -3.397 1.00 0.00 H new ATOM 0 HA THR A 59 9.492 27.385 -6.305 1.00 0.00 H new ATOM 0 HB THR A 59 9.178 24.998 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.504 25.113 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.610 23.873 -6.085 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.132 24.520 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.680 25.374 -7.039 1.00 0.00 H new ATOM 994 N LEU A 60 6.780 26.113 -4.901 1.00 0.00 N ATOM 995 CA LEU A 60 5.376 25.715 -5.232 1.00 0.00 C ATOM 996 C LEU A 60 4.439 26.916 -5.175 1.00 0.00 C ATOM 997 O LEU A 60 3.312 26.846 -5.620 1.00 0.00 O ATOM 998 CB LEU A 60 4.893 24.671 -4.230 1.00 0.00 C ATOM 999 CG LEU A 60 5.924 23.550 -4.110 1.00 0.00 C ATOM 1000 CD1 LEU A 60 5.376 22.472 -3.174 1.00 0.00 C ATOM 1001 CD2 LEU A 60 6.210 22.946 -5.494 1.00 0.00 C ATOM 0 H LEU A 60 7.028 26.043 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 60 5.368 25.307 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.732 25.135 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.934 24.263 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 60 6.854 23.950 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.104 21.666 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.187 22.905 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.446 22.075 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.946 22.148 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.288 22.541 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.599 23.720 -6.156 1.00 0.00 H new ATOM 1013 N ASP A 61 4.875 28.020 -4.646 1.00 0.00 N ATOM 1014 CA ASP A 61 3.971 29.201 -4.599 1.00 0.00 C ATOM 1015 C ASP A 61 3.992 29.826 -5.978 1.00 0.00 C ATOM 1016 O ASP A 61 4.364 30.967 -6.168 1.00 0.00 O ATOM 1017 CB ASP A 61 4.438 30.216 -3.556 1.00 0.00 C ATOM 1018 CG ASP A 61 3.397 31.326 -3.439 1.00 0.00 C ATOM 1019 OD1 ASP A 61 2.416 31.271 -4.165 1.00 0.00 O ATOM 1020 OD2 ASP A 61 3.594 32.209 -2.622 1.00 0.00 O ATOM 0 H ASP A 61 5.804 28.158 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 61 2.964 28.893 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.577 29.727 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.403 30.634 -3.843 1.00 0.00 H new ATOM 1025 N GLU A 62 3.606 29.055 -6.944 1.00 0.00 N ATOM 1026 CA GLU A 62 3.602 29.535 -8.343 1.00 0.00 C ATOM 1027 C GLU A 62 2.717 30.775 -8.432 1.00 0.00 C ATOM 1028 O GLU A 62 3.033 31.731 -9.112 1.00 0.00 O ATOM 1029 CB GLU A 62 3.044 28.421 -9.224 1.00 0.00 C ATOM 1030 CG GLU A 62 3.821 27.131 -8.939 1.00 0.00 C ATOM 1031 CD GLU A 62 3.435 26.058 -9.959 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.576 26.330 -10.780 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.008 24.982 -9.901 1.00 0.00 O ATOM 0 H GLU A 62 3.287 28.094 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 62 4.608 29.793 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.983 28.275 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.134 28.691 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.893 27.323 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.605 26.781 -7.930 1.00 0.00 H new ATOM 1040 N ASP A 63 1.618 30.776 -7.733 1.00 0.00 N ATOM 1041 CA ASP A 63 0.724 31.964 -7.760 1.00 0.00 C ATOM 1042 C ASP A 63 1.356 33.076 -6.919 1.00 0.00 C ATOM 1043 O ASP A 63 0.917 34.209 -6.938 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.639 31.593 -7.174 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.270 30.484 -8.017 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.309 30.637 -9.226 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -1.704 29.502 -7.438 1.00 0.00 O ATOM 0 H ASP A 63 1.301 30.006 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 63 0.591 32.304 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.525 31.260 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.290 32.467 -7.157 1.00 0.00 H new ATOM 1052 N GLY A 64 2.395 32.762 -6.190 1.00 0.00 N ATOM 1053 CA GLY A 64 3.066 33.807 -5.357 1.00 0.00 C ATOM 1054 C GLY A 64 2.097 34.328 -4.289 1.00 0.00 C ATOM 1055 O GLY A 64 2.172 35.472 -3.887 1.00 0.00 O ATOM 0 H GLY A 64 2.808 31.831 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.954 33.390 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.399 34.630 -5.990 1.00 0.00 H new ATOM 1059 N ASP A 65 1.181 33.505 -3.832 1.00 0.00 N ATOM 1060 CA ASP A 65 0.195 33.959 -2.795 1.00 0.00 C ATOM 1061 C ASP A 65 0.533 33.346 -1.435 1.00 0.00 C ATOM 1062 O ASP A 65 -0.174 33.539 -0.466 1.00 0.00 O ATOM 1063 CB ASP A 65 -1.207 33.518 -3.221 1.00 0.00 C ATOM 1064 CG ASP A 65 -1.249 31.995 -3.348 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -0.189 31.391 -3.333 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.338 31.459 -3.459 1.00 0.00 O ATOM 0 H ASP A 65 1.073 32.536 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 65 0.237 35.045 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.942 33.852 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.471 33.980 -4.172 1.00 0.00 H new ATOM 1071 N GLY A 66 1.599 32.601 -1.352 1.00 0.00 N ATOM 1072 CA GLY A 66 1.969 31.971 -0.053 1.00 0.00 C ATOM 1073 C GLY A 66 1.113 30.721 0.145 1.00 0.00 C ATOM 1074 O GLY A 66 1.170 30.062 1.164 1.00 0.00 O ATOM 0 H GLY A 66 2.231 32.401 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.027 31.709 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.810 32.672 0.766 1.00 0.00 H new ATOM 1078 N GLU A 67 0.315 30.398 -0.837 1.00 0.00 N ATOM 1079 CA GLU A 67 -0.568 29.202 -0.756 1.00 0.00 C ATOM 1080 C GLU A 67 -0.492 28.452 -2.091 1.00 0.00 C ATOM 1081 O GLU A 67 -0.629 29.041 -3.145 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.008 29.668 -0.515 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.007 30.759 0.557 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.442 31.057 0.995 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -4.352 30.625 0.309 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.606 31.718 2.008 1.00 0.00 O ATOM 0 H GLU A 67 0.238 30.924 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.254 28.548 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.440 30.050 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.627 28.829 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.415 30.439 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.541 31.664 0.167 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.291 27.159 -2.058 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.223 26.369 -3.331 1.00 0.00 C ATOM 1095 C CYS A 68 -1.575 25.685 -3.531 1.00 0.00 C ATOM 1096 O CYS A 68 -2.100 25.065 -2.633 1.00 0.00 O ATOM 1097 CB CYS A 68 0.907 25.324 -3.236 1.00 0.00 C ATOM 1098 SG CYS A 68 1.099 24.799 -1.514 1.00 0.00 S ATOM 0 H CYS A 68 -0.171 26.613 -1.205 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.009 27.020 -4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.676 24.465 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.841 25.748 -3.605 1.00 0.00 H new ATOM 0 HG CYS A 68 2.263 25.175 -1.073 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.155 25.808 -4.690 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.483 25.180 -4.917 1.00 0.00 C ATOM 1106 C ASP A 69 -3.320 23.672 -5.067 1.00 0.00 C ATOM 1107 O ASP A 69 -2.222 23.162 -5.172 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.124 25.758 -6.180 1.00 0.00 C ATOM 1109 CG ASP A 69 -3.265 25.408 -7.392 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -2.198 24.856 -7.193 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -3.685 25.705 -8.498 1.00 0.00 O ATOM 0 H ASP A 69 -1.769 26.314 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.127 25.389 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.130 25.358 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.220 26.840 -6.089 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.407 22.951 -5.076 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.326 21.482 -5.216 1.00 0.00 C ATOM 1118 C PHE A 70 -3.423 21.150 -6.408 1.00 0.00 C ATOM 1119 O PHE A 70 -2.633 20.236 -6.356 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.750 20.944 -5.430 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.716 19.558 -6.030 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -4.860 18.583 -5.505 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.540 19.252 -7.119 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -4.828 17.307 -6.070 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.510 17.978 -7.680 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.653 17.002 -7.158 1.00 0.00 C ATOM 0 H PHE A 70 -5.352 23.325 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.902 21.019 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.281 20.920 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.302 21.616 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.225 18.818 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.200 20.005 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.166 16.555 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.149 17.743 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.629 16.015 -7.595 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.531 21.893 -7.474 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.667 21.633 -8.662 1.00 0.00 C ATOM 1138 C GLN A 71 -1.185 21.829 -8.304 1.00 0.00 C ATOM 1139 O GLN A 71 -0.345 21.018 -8.628 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.055 22.604 -9.785 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.986 22.587 -10.883 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.526 23.268 -12.142 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.634 23.766 -12.151 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -1.782 23.311 -13.214 1.00 0.00 N ATOM 0 H GLN A 71 -4.182 22.672 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.812 20.604 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.022 22.323 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.162 23.612 -9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.088 23.100 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.699 21.560 -11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.852 22.893 -13.206 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.131 23.763 -14.059 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.856 22.913 -7.669 1.00 0.00 N ATOM 1154 CA GLU A 72 0.571 23.170 -7.328 1.00 0.00 C ATOM 1155 C GLU A 72 1.112 22.049 -6.430 1.00 0.00 C ATOM 1156 O GLU A 72 2.231 21.592 -6.590 1.00 0.00 O ATOM 1157 CB GLU A 72 0.668 24.525 -6.620 1.00 0.00 C ATOM 1158 CG GLU A 72 0.600 25.660 -7.649 1.00 0.00 C ATOM 1159 CD GLU A 72 0.447 26.999 -6.924 1.00 0.00 C ATOM 1160 OE1 GLU A 72 -0.662 27.312 -6.521 1.00 0.00 O ATOM 1161 OE2 GLU A 72 1.442 27.690 -6.783 1.00 0.00 O ATOM 0 H GLU A 72 -1.512 23.635 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 72 1.173 23.190 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.143 24.627 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.601 24.586 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.503 25.666 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.241 25.502 -8.325 1.00 0.00 H new ATOM 1168 N PHE A 73 0.325 21.590 -5.501 1.00 0.00 N ATOM 1169 CA PHE A 73 0.787 20.490 -4.608 1.00 0.00 C ATOM 1170 C PHE A 73 0.958 19.209 -5.429 1.00 0.00 C ATOM 1171 O PHE A 73 1.814 18.390 -5.158 1.00 0.00 O ATOM 1172 CB PHE A 73 -0.245 20.250 -3.499 1.00 0.00 C ATOM 1173 CG PHE A 73 0.113 18.983 -2.757 1.00 0.00 C ATOM 1174 CD1 PHE A 73 -0.405 17.759 -3.193 1.00 0.00 C ATOM 1175 CD2 PHE A 73 0.973 19.028 -1.654 1.00 0.00 C ATOM 1176 CE1 PHE A 73 -0.064 16.577 -2.529 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.312 17.845 -0.986 1.00 0.00 C ATOM 1178 CZ PHE A 73 0.793 16.619 -1.425 1.00 0.00 C ATOM 0 H PHE A 73 -0.620 21.928 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 73 1.739 20.769 -4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.262 21.096 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.244 20.166 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.069 17.727 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.374 19.973 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.462 15.632 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.973 17.877 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.055 15.706 -0.910 1.00 0.00 H new ATOM 1188 N MET A 74 0.134 19.025 -6.417 1.00 0.00 N ATOM 1189 CA MET A 74 0.221 17.795 -7.246 1.00 0.00 C ATOM 1190 C MET A 74 1.595 17.711 -7.905 1.00 0.00 C ATOM 1191 O MET A 74 2.159 16.646 -8.050 1.00 0.00 O ATOM 1192 CB MET A 74 -0.871 17.811 -8.335 1.00 0.00 C ATOM 1193 CG MET A 74 -2.270 17.511 -7.729 1.00 0.00 C ATOM 1194 SD MET A 74 -3.054 16.145 -8.633 1.00 0.00 S ATOM 1195 CE MET A 74 -1.809 14.875 -8.275 1.00 0.00 C ATOM 0 H MET A 74 -0.601 19.678 -6.688 1.00 0.00 H new ATOM 0 HA MET A 74 0.073 16.927 -6.603 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.885 18.784 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.637 17.071 -9.100 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.172 17.252 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.897 18.401 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.213 14.687 -9.168 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.159 15.219 -7.471 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.306 13.954 -7.970 1.00 0.00 H new ATOM 1205 N ALA A 75 2.129 18.810 -8.338 1.00 0.00 N ATOM 1206 CA ALA A 75 3.450 18.751 -9.018 1.00 0.00 C ATOM 1207 C ALA A 75 4.573 18.382 -8.039 1.00 0.00 C ATOM 1208 O ALA A 75 5.555 17.776 -8.419 1.00 0.00 O ATOM 1209 CB ALA A 75 3.753 20.103 -9.672 1.00 0.00 C ATOM 0 H ALA A 75 1.716 19.739 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 75 3.403 17.973 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.722 20.057 -10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.979 20.335 -10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.774 20.880 -8.908 1.00 0.00 H new ATOM 1215 N PHE A 76 4.456 18.749 -6.797 1.00 0.00 N ATOM 1216 CA PHE A 76 5.544 18.423 -5.816 1.00 0.00 C ATOM 1217 C PHE A 76 5.607 16.920 -5.548 1.00 0.00 C ATOM 1218 O PHE A 76 6.643 16.376 -5.231 1.00 0.00 O ATOM 1219 CB PHE A 76 5.268 19.168 -4.509 1.00 0.00 C ATOM 1220 CG PHE A 76 6.327 18.846 -3.476 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.587 19.452 -3.549 1.00 0.00 C ATOM 1222 CD2 PHE A 76 6.042 17.951 -2.435 1.00 0.00 C ATOM 1223 CE1 PHE A 76 8.561 19.163 -2.585 1.00 0.00 C ATOM 1224 CE2 PHE A 76 7.015 17.666 -1.470 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.274 18.271 -1.545 1.00 0.00 C ATOM 0 H PHE A 76 3.661 19.259 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 76 6.502 18.733 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.248 20.242 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.285 18.892 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.808 20.143 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.071 17.481 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.534 19.628 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.794 16.979 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.025 18.050 -0.801 1.00 0.00 H new ATOM 1235 N VAL A 77 4.507 16.255 -5.645 1.00 0.00 N ATOM 1236 CA VAL A 77 4.486 14.787 -5.375 1.00 0.00 C ATOM 1237 C VAL A 77 5.133 14.038 -6.540 1.00 0.00 C ATOM 1238 O VAL A 77 5.736 13.002 -6.363 1.00 0.00 O ATOM 1239 CB VAL A 77 3.024 14.314 -5.177 1.00 0.00 C ATOM 1240 CG1 VAL A 77 2.928 13.355 -3.986 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.135 15.527 -4.911 1.00 0.00 C ATOM 0 H VAL A 77 3.606 16.659 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 77 5.050 14.577 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 77 2.697 13.796 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.894 13.032 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.560 12.486 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.261 13.864 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.105 15.199 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.478 16.040 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.187 16.209 -5.760 1.00 0.00 H new ATOM 1251 N SER A 78 4.998 14.534 -7.730 1.00 0.00 N ATOM 1252 CA SER A 78 5.601 13.817 -8.881 1.00 0.00 C ATOM 1253 C SER A 78 7.127 13.869 -8.785 1.00 0.00 C ATOM 1254 O SER A 78 7.807 12.903 -9.070 1.00 0.00 O ATOM 1255 CB SER A 78 5.125 14.461 -10.190 1.00 0.00 C ATOM 1256 OG SER A 78 4.028 13.715 -10.692 1.00 0.00 O ATOM 0 H SER A 78 4.502 15.396 -7.957 1.00 0.00 H new ATOM 0 HA SER A 78 5.288 12.773 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.830 15.496 -10.016 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.935 14.478 -10.919 1.00 0.00 H new ATOM 0 HG SER A 78 4.296 13.251 -11.512 1.00 0.00 H new ATOM 1262 N MET A 79 7.675 14.986 -8.402 1.00 0.00 N ATOM 1263 CA MET A 79 9.157 15.076 -8.316 1.00 0.00 C ATOM 1264 C MET A 79 9.686 14.267 -7.121 1.00 0.00 C ATOM 1265 O MET A 79 10.668 13.556 -7.236 1.00 0.00 O ATOM 1266 CB MET A 79 9.572 16.552 -8.211 1.00 0.00 C ATOM 1267 CG MET A 79 8.830 17.225 -7.055 1.00 0.00 C ATOM 1268 SD MET A 79 9.094 19.016 -7.119 1.00 0.00 S ATOM 1269 CE MET A 79 10.847 19.024 -6.674 1.00 0.00 C ATOM 0 H MET A 79 7.167 15.833 -8.147 1.00 0.00 H new ATOM 0 HA MET A 79 9.595 14.648 -9.218 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.648 16.625 -8.054 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.350 17.068 -9.145 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.765 17.003 -7.116 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.185 16.829 -6.103 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.130 20.018 -6.329 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.024 18.300 -5.879 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.445 18.759 -7.546 1.00 0.00 H new ATOM 1279 N VAL A 80 9.054 14.347 -5.979 1.00 0.00 N ATOM 1280 CA VAL A 80 9.560 13.563 -4.807 1.00 0.00 C ATOM 1281 C VAL A 80 9.545 12.079 -5.147 1.00 0.00 C ATOM 1282 O VAL A 80 10.421 11.330 -4.763 1.00 0.00 O ATOM 1283 CB VAL A 80 8.688 13.782 -3.572 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.249 12.953 -2.410 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.685 15.260 -3.185 1.00 0.00 C ATOM 0 H VAL A 80 8.222 14.911 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 80 10.573 13.903 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 80 7.667 13.472 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.632 13.104 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.244 11.897 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.271 13.268 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.060 15.404 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.703 15.580 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.289 15.851 -4.011 1.00 0.00 H new ATOM 1295 N THR A 81 8.545 11.648 -5.851 1.00 0.00 N ATOM 1296 CA THR A 81 8.453 10.212 -6.205 1.00 0.00 C ATOM 1297 C THR A 81 9.712 9.825 -6.954 1.00 0.00 C ATOM 1298 O THR A 81 10.241 8.743 -6.800 1.00 0.00 O ATOM 1299 CB THR A 81 7.253 9.984 -7.119 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.070 10.399 -6.460 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.148 8.497 -7.474 1.00 0.00 C ATOM 0 H THR A 81 7.783 12.231 -6.198 1.00 0.00 H new ATOM 0 HA THR A 81 8.340 9.615 -5.300 1.00 0.00 H new ATOM 0 HB THR A 81 7.382 10.564 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.800 9.716 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.290 8.339 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.057 8.180 -7.986 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.023 7.913 -6.562 1.00 0.00 H new ATOM 1309 N THR A 82 10.194 10.710 -7.770 1.00 0.00 N ATOM 1310 CA THR A 82 11.416 10.412 -8.542 1.00 0.00 C ATOM 1311 C THR A 82 12.513 9.999 -7.558 1.00 0.00 C ATOM 1312 O THR A 82 13.257 9.064 -7.792 1.00 0.00 O ATOM 1313 CB THR A 82 11.832 11.679 -9.296 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.673 12.310 -9.822 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.763 11.310 -10.442 1.00 0.00 C ATOM 0 H THR A 82 9.790 11.632 -7.935 1.00 0.00 H new ATOM 0 HA THR A 82 11.246 9.607 -9.257 1.00 0.00 H new ATOM 0 HB THR A 82 12.346 12.355 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.028 11.628 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.057 12.213 -10.977 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.651 10.817 -10.045 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.248 10.635 -11.126 1.00 0.00 H new ATOM 1323 N ALA A 83 12.594 10.666 -6.441 1.00 0.00 N ATOM 1324 CA ALA A 83 13.614 10.287 -5.425 1.00 0.00 C ATOM 1325 C ALA A 83 13.330 8.858 -4.962 1.00 0.00 C ATOM 1326 O ALA A 83 14.230 8.074 -4.736 1.00 0.00 O ATOM 1327 CB ALA A 83 13.543 11.244 -4.232 1.00 0.00 C ATOM 0 H ALA A 83 11.999 11.455 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 83 14.612 10.347 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.292 10.960 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.735 12.262 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.552 11.192 -3.782 1.00 0.00 H new ATOM 1333 N CYS A 84 12.079 8.517 -4.821 1.00 0.00 N ATOM 1334 CA CYS A 84 11.725 7.143 -4.376 1.00 0.00 C ATOM 1335 C CYS A 84 12.336 6.130 -5.351 1.00 0.00 C ATOM 1336 O CYS A 84 12.755 5.059 -4.960 1.00 0.00 O ATOM 1337 CB CYS A 84 10.200 6.994 -4.350 1.00 0.00 C ATOM 1338 SG CYS A 84 9.750 5.568 -3.329 1.00 0.00 S ATOM 0 H CYS A 84 11.285 9.134 -4.996 1.00 0.00 H new ATOM 0 HA CYS A 84 12.116 6.962 -3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.742 7.899 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.819 6.864 -5.363 1.00 0.00 H new ATOM 0 HG CYS A 84 8.456 5.442 -3.305 1.00 0.00 H new ATOM 1344 N HIS A 85 12.406 6.462 -6.616 1.00 0.00 N ATOM 1345 CA HIS A 85 13.009 5.511 -7.595 1.00 0.00 C ATOM 1346 C HIS A 85 14.451 5.234 -7.194 1.00 0.00 C ATOM 1347 O HIS A 85 14.924 4.118 -7.268 1.00 0.00 O ATOM 1348 CB HIS A 85 13.001 6.130 -8.994 1.00 0.00 C ATOM 1349 CG HIS A 85 13.653 5.182 -9.966 1.00 0.00 C ATOM 1350 ND1 HIS A 85 13.863 3.824 -9.926 1.00 0.00 N flip ATOM 1351 CD2 HIS A 85 14.202 5.614 -11.166 1.00 0.00 C flip ATOM 1352 CE1 HIS A 85 14.530 3.424 -11.078 1.00 0.00 C flip ATOM 1353 NE2 HIS A 85 14.711 4.536 -11.792 1.00 0.00 N flip ATOM 0 H HIS A 85 12.074 7.343 -7.009 1.00 0.00 H new ATOM 0 HA HIS A 85 12.431 4.587 -7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.977 6.339 -9.305 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.533 7.082 -8.985 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.218 6.630 -11.531 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.837 2.422 -11.340 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.177 4.566 -12.699 1.00 0.00 H new ATOM 1362 N GLU A 86 15.157 6.241 -6.766 1.00 0.00 N ATOM 1363 CA GLU A 86 16.569 6.022 -6.359 1.00 0.00 C ATOM 1364 C GLU A 86 16.601 5.012 -5.212 1.00 0.00 C ATOM 1365 O GLU A 86 17.434 4.130 -5.169 1.00 0.00 O ATOM 1366 CB GLU A 86 17.180 7.352 -5.912 1.00 0.00 C ATOM 1367 CG GLU A 86 18.647 7.142 -5.535 1.00 0.00 C ATOM 1368 CD GLU A 86 19.270 8.481 -5.138 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.593 9.488 -5.268 1.00 0.00 O ATOM 1370 OE2 GLU A 86 20.413 8.477 -4.713 1.00 0.00 O ATOM 0 H GLU A 86 14.820 7.200 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 86 17.147 5.634 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.102 8.087 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.628 7.749 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.723 6.435 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.191 6.711 -6.375 1.00 0.00 H new ATOM 1377 N PHE A 87 15.680 5.123 -4.293 1.00 0.00 N ATOM 1378 CA PHE A 87 15.634 4.157 -3.159 1.00 0.00 C ATOM 1379 C PHE A 87 15.147 2.804 -3.672 1.00 0.00 C ATOM 1380 O PHE A 87 15.601 1.761 -3.244 1.00 0.00 O ATOM 1381 CB PHE A 87 14.687 4.666 -2.071 1.00 0.00 C ATOM 1382 CG PHE A 87 15.320 5.837 -1.357 1.00 0.00 C ATOM 1383 CD1 PHE A 87 16.258 5.610 -0.342 1.00 0.00 C ATOM 1384 CD2 PHE A 87 14.971 7.146 -1.706 1.00 0.00 C ATOM 1385 CE1 PHE A 87 16.847 6.692 0.323 1.00 0.00 C ATOM 1386 CE2 PHE A 87 15.559 8.229 -1.041 1.00 0.00 C ATOM 1387 CZ PHE A 87 16.497 8.002 -0.026 1.00 0.00 C ATOM 0 H PHE A 87 14.957 5.842 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 87 16.633 4.053 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.737 4.967 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 87 14.470 3.868 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.527 4.599 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.248 7.321 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.571 6.516 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.289 9.239 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.950 8.837 0.487 1.00 0.00 H new ATOM 1397 N PHE A 88 14.216 2.818 -4.587 1.00 0.00 N ATOM 1398 CA PHE A 88 13.680 1.542 -5.139 1.00 0.00 C ATOM 1399 C PHE A 88 14.554 1.119 -6.325 1.00 0.00 C ATOM 1400 O PHE A 88 14.096 1.004 -7.445 1.00 0.00 O ATOM 1401 CB PHE A 88 12.218 1.775 -5.590 1.00 0.00 C ATOM 1402 CG PHE A 88 11.388 0.522 -5.378 1.00 0.00 C ATOM 1403 CD1 PHE A 88 11.821 -0.704 -5.900 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.185 0.589 -4.658 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.055 -1.860 -5.703 1.00 0.00 C ATOM 1406 CE2 PHE A 88 9.421 -0.567 -4.461 1.00 0.00 C ATOM 1407 CZ PHE A 88 9.856 -1.791 -4.984 1.00 0.00 C ATOM 0 H PHE A 88 13.802 3.664 -4.978 1.00 0.00 H new ATOM 0 HA PHE A 88 13.696 0.752 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.786 2.603 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.197 2.058 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.746 -0.758 -6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.849 1.533 -4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.389 -2.805 -6.106 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.496 -0.515 -3.906 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.266 -2.683 -4.832 1.00 0.00 H new ATOM 1464 N MET B 0 -6.212 6.815 3.734 1.00 0.00 N ATOM 1465 CA MET B 0 -5.397 7.967 4.213 1.00 0.00 C ATOM 1466 C MET B 0 -3.925 7.552 4.296 1.00 0.00 C ATOM 1467 O MET B 0 -3.607 6.422 4.608 1.00 0.00 O ATOM 1468 CB MET B 0 -5.888 8.397 5.599 1.00 0.00 C ATOM 1469 CG MET B 0 -5.668 7.259 6.601 1.00 0.00 C ATOM 1470 SD MET B 0 -6.430 7.691 8.185 1.00 0.00 S ATOM 1471 CE MET B 0 -6.087 6.129 9.031 1.00 0.00 C ATOM 0 H1 MET B 0 -7.142 6.831 4.199 1.00 0.00 H new ATOM 0 H2 MET B 0 -6.339 6.884 2.704 1.00 0.00 H new ATOM 0 H3 MET B 0 -5.725 5.926 3.964 1.00 0.00 H new ATOM 0 HA MET B 0 -5.499 8.800 3.517 1.00 0.00 H new ATOM 0 HB2 MET B 0 -5.353 9.289 5.924 1.00 0.00 H new ATOM 0 HB3 MET B 0 -6.946 8.657 5.556 1.00 0.00 H new ATOM 0 HG2 MET B 0 -6.100 6.335 6.218 1.00 0.00 H new ATOM 0 HG3 MET B 0 -4.601 7.080 6.736 1.00 0.00 H new ATOM 0 HE1 MET B 0 -6.478 6.172 10.047 1.00 0.00 H new ATOM 0 HE2 MET B 0 -6.565 5.311 8.493 1.00 0.00 H new ATOM 0 HE3 MET B 0 -5.010 5.961 9.063 1.00 0.00 H new ATOM 1483 N SER B 1 -3.026 8.458 4.022 1.00 0.00 N ATOM 1484 CA SER B 1 -1.573 8.113 4.088 1.00 0.00 C ATOM 1485 C SER B 1 -1.256 7.021 3.060 1.00 0.00 C ATOM 1486 O SER B 1 -0.205 6.412 3.086 1.00 0.00 O ATOM 1487 CB SER B 1 -1.226 7.624 5.502 1.00 0.00 C ATOM 1488 OG SER B 1 0.136 7.927 5.779 1.00 0.00 O ATOM 0 H SER B 1 -3.232 9.421 3.756 1.00 0.00 H new ATOM 0 HA SER B 1 -0.977 8.997 3.861 1.00 0.00 H new ATOM 0 HB2 SER B 1 -1.874 8.104 6.235 1.00 0.00 H new ATOM 0 HB3 SER B 1 -1.396 6.550 5.581 1.00 0.00 H new ATOM 0 HG SER B 1 0.363 7.618 6.681 1.00 0.00 H new ATOM 1494 N GLU B 2 -2.154 6.786 2.149 1.00 0.00 N ATOM 1495 CA GLU B 2 -1.921 5.755 1.100 1.00 0.00 C ATOM 1496 C GLU B 2 -0.954 6.322 0.066 1.00 0.00 C ATOM 1497 O GLU B 2 -0.749 5.757 -0.991 1.00 0.00 O ATOM 1498 CB GLU B 2 -3.248 5.404 0.430 1.00 0.00 C ATOM 1499 CG GLU B 2 -3.845 6.661 -0.203 1.00 0.00 C ATOM 1500 CD GLU B 2 -5.260 6.359 -0.698 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -5.380 5.734 -1.739 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -6.199 6.757 -0.029 1.00 0.00 O ATOM 0 H GLU B 2 -3.050 7.269 2.084 1.00 0.00 H new ATOM 0 HA GLU B 2 -1.499 4.854 1.545 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -3.093 4.639 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -3.940 4.989 1.163 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -3.868 7.472 0.525 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -3.221 6.995 -1.032 1.00 0.00 H new ATOM 1509 N LEU B 3 -0.366 7.445 0.363 1.00 0.00 N ATOM 1510 CA LEU B 3 0.578 8.072 -0.589 1.00 0.00 C ATOM 1511 C LEU B 3 1.744 7.131 -0.872 1.00 0.00 C ATOM 1512 O LEU B 3 2.200 7.038 -1.977 1.00 0.00 O ATOM 1513 CB LEU B 3 1.099 9.384 0.009 1.00 0.00 C ATOM 1514 CG LEU B 3 2.097 10.069 -0.963 1.00 0.00 C ATOM 1515 CD1 LEU B 3 1.881 11.586 -0.955 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.540 9.775 -0.532 1.00 0.00 C ATOM 0 H LEU B 3 -0.503 7.957 1.234 1.00 0.00 H new ATOM 0 HA LEU B 3 0.062 8.277 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.264 10.054 0.213 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.589 9.186 0.962 1.00 0.00 H new ATOM 0 HG LEU B 3 1.925 9.677 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.586 12.057 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU B 3 0.862 11.810 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU B 3 2.041 11.971 0.052 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.231 10.260 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.704 10.157 0.476 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.711 8.699 -0.544 1.00 0.00 H new ATOM 1528 N GLU B 4 2.241 6.447 0.114 1.00 0.00 N ATOM 1529 CA GLU B 4 3.407 5.537 -0.125 1.00 0.00 C ATOM 1530 C GLU B 4 3.115 4.595 -1.291 1.00 0.00 C ATOM 1531 O GLU B 4 3.972 4.314 -2.104 1.00 0.00 O ATOM 1532 CB GLU B 4 3.651 4.697 1.130 1.00 0.00 C ATOM 1533 CG GLU B 4 4.176 5.586 2.257 1.00 0.00 C ATOM 1534 CD GLU B 4 4.399 4.737 3.510 1.00 0.00 C ATOM 1535 OE1 GLU B 4 3.430 4.478 4.205 1.00 0.00 O ATOM 1536 OE2 GLU B 4 5.534 4.360 3.753 1.00 0.00 O ATOM 0 H GLU B 4 1.898 6.473 1.074 1.00 0.00 H new ATOM 0 HA GLU B 4 4.283 6.141 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU B 4 2.725 4.212 1.439 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.369 3.906 0.915 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.109 6.062 1.955 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.464 6.385 2.467 1.00 0.00 H new ATOM 1543 N LYS B 5 1.922 4.106 -1.376 1.00 0.00 N ATOM 1544 CA LYS B 5 1.570 3.178 -2.483 1.00 0.00 C ATOM 1545 C LYS B 5 1.538 3.950 -3.797 1.00 0.00 C ATOM 1546 O LYS B 5 1.857 3.426 -4.842 1.00 0.00 O ATOM 1547 CB LYS B 5 0.192 2.585 -2.207 1.00 0.00 C ATOM 1548 CG LYS B 5 0.282 1.639 -1.009 1.00 0.00 C ATOM 1549 CD LYS B 5 -1.096 1.036 -0.720 1.00 0.00 C ATOM 1550 CE LYS B 5 -2.082 2.144 -0.317 1.00 0.00 C ATOM 1551 NZ LYS B 5 -3.166 1.556 0.521 1.00 0.00 N ATOM 0 H LYS B 5 1.164 4.307 -0.723 1.00 0.00 H new ATOM 0 HA LYS B 5 2.310 2.380 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -0.525 3.380 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.168 2.047 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.001 0.846 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.644 2.179 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.465 0.513 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.019 0.299 0.079 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.562 2.926 0.236 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.506 2.611 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.836 2.303 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.667 0.825 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.752 1.130 1.375 1.00 0.00 H new ATOM 1565 N ALA B 6 1.117 5.179 -3.753 1.00 0.00 N ATOM 1566 CA ALA B 6 1.023 5.984 -5.003 1.00 0.00 C ATOM 1567 C ALA B 6 2.405 6.342 -5.566 1.00 0.00 C ATOM 1568 O ALA B 6 2.608 6.321 -6.760 1.00 0.00 O ATOM 1569 CB ALA B 6 0.248 7.272 -4.703 1.00 0.00 C ATOM 0 H ALA B 6 0.832 5.665 -2.903 1.00 0.00 H new ATOM 0 HA ALA B 6 0.508 5.385 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.172 7.871 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.752 7.021 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA B 6 0.772 7.842 -3.935 1.00 0.00 H new ATOM 1575 N MET B 7 3.345 6.684 -4.736 1.00 0.00 N ATOM 1576 CA MET B 7 4.690 7.062 -5.259 1.00 0.00 C ATOM 1577 C MET B 7 5.345 5.840 -5.887 1.00 0.00 C ATOM 1578 O MET B 7 5.997 5.908 -6.916 1.00 0.00 O ATOM 1579 CB MET B 7 5.576 7.549 -4.107 1.00 0.00 C ATOM 1580 CG MET B 7 4.842 8.614 -3.292 1.00 0.00 C ATOM 1581 SD MET B 7 4.532 10.075 -4.309 1.00 0.00 S ATOM 1582 CE MET B 7 5.871 11.119 -3.671 1.00 0.00 C ATOM 0 H MET B 7 3.245 6.719 -3.722 1.00 0.00 H new ATOM 0 HA MET B 7 4.575 7.854 -5.999 1.00 0.00 H new ATOM 0 HB2 MET B 7 5.845 6.710 -3.465 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.506 7.959 -4.502 1.00 0.00 H new ATOM 0 HG2 MET B 7 3.899 8.213 -2.922 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.436 8.888 -2.420 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.789 12.118 -4.100 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.797 11.183 -2.585 1.00 0.00 H new ATOM 0 HE3 MET B 7 6.833 10.685 -3.944 1.00 0.00 H new ATOM 1592 N VAL B 8 5.175 4.725 -5.255 1.00 0.00 N ATOM 1593 CA VAL B 8 5.779 3.467 -5.760 1.00 0.00 C ATOM 1594 C VAL B 8 5.094 3.055 -7.061 1.00 0.00 C ATOM 1595 O VAL B 8 5.703 2.490 -7.944 1.00 0.00 O ATOM 1596 CB VAL B 8 5.605 2.372 -4.703 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.027 1.019 -5.280 1.00 0.00 C ATOM 1598 CG2 VAL B 8 6.474 2.701 -3.486 1.00 0.00 C ATOM 0 H VAL B 8 4.635 4.626 -4.395 1.00 0.00 H new ATOM 0 HA VAL B 8 6.841 3.617 -5.955 1.00 0.00 H new ATOM 0 HB VAL B 8 4.558 2.322 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 8 5.901 0.245 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.408 0.784 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.073 1.063 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.353 1.924 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.520 2.753 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL B 8 6.169 3.661 -3.070 1.00 0.00 H new ATOM 1608 N ALA B 9 3.823 3.309 -7.163 1.00 0.00 N ATOM 1609 CA ALA B 9 3.068 2.910 -8.385 1.00 0.00 C ATOM 1610 C ALA B 9 3.504 3.721 -9.606 1.00 0.00 C ATOM 1611 O ALA B 9 3.594 3.195 -10.697 1.00 0.00 O ATOM 1612 CB ALA B 9 1.580 3.122 -8.155 1.00 0.00 C ATOM 0 H ALA B 9 3.268 3.779 -6.448 1.00 0.00 H new ATOM 0 HA ALA B 9 3.278 1.858 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.028 2.830 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.252 2.514 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.391 4.174 -7.940 1.00 0.00 H new ATOM 1618 N LEU B 10 3.761 4.993 -9.458 1.00 0.00 N ATOM 1619 CA LEU B 10 4.168 5.783 -10.660 1.00 0.00 C ATOM 1620 C LEU B 10 5.442 5.163 -11.213 1.00 0.00 C ATOM 1621 O LEU B 10 5.632 5.047 -12.406 1.00 0.00 O ATOM 1622 CB LEU B 10 4.469 7.238 -10.287 1.00 0.00 C ATOM 1623 CG LEU B 10 3.242 7.922 -9.674 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.590 9.384 -9.369 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.058 7.868 -10.648 1.00 0.00 C ATOM 0 H LEU B 10 3.709 5.511 -8.581 1.00 0.00 H new ATOM 0 HA LEU B 10 3.357 5.768 -11.388 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.297 7.270 -9.579 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.787 7.785 -11.175 1.00 0.00 H new ATOM 0 HG LEU B 10 2.961 7.404 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.724 9.881 -8.932 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.422 9.421 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.872 9.891 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.194 8.358 -10.198 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.324 8.379 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.813 6.828 -10.866 1.00 0.00 H new ATOM 1637 N ILE B 11 6.316 4.769 -10.340 1.00 0.00 N ATOM 1638 CA ILE B 11 7.595 4.152 -10.773 1.00 0.00 C ATOM 1639 C ILE B 11 7.359 2.794 -11.456 1.00 0.00 C ATOM 1640 O ILE B 11 8.039 2.450 -12.399 1.00 0.00 O ATOM 1641 CB ILE B 11 8.497 3.981 -9.546 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.958 5.367 -9.079 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.716 3.124 -9.902 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.557 5.283 -7.673 1.00 0.00 C ATOM 0 H ILE B 11 6.199 4.849 -9.330 1.00 0.00 H new ATOM 0 HA ILE B 11 8.075 4.804 -11.503 1.00 0.00 H new ATOM 0 HB ILE B 11 7.943 3.483 -8.750 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.698 5.764 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.115 6.058 -9.082 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.350 3.009 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.384 2.142 -10.241 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.283 3.610 -10.697 1.00 0.00 H new ATOM 0 HD11 ILE B 11 9.880 6.274 -7.355 1.00 0.00 H new ATOM 0 HD12 ILE B 11 8.805 4.906 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.413 4.608 -7.682 1.00 0.00 H new ATOM 1656 N ASP B 12 6.448 1.996 -10.964 1.00 0.00 N ATOM 1657 CA ASP B 12 6.241 0.646 -11.576 1.00 0.00 C ATOM 1658 C ASP B 12 5.712 0.741 -13.019 1.00 0.00 C ATOM 1659 O ASP B 12 6.137 0.004 -13.887 1.00 0.00 O ATOM 1660 CB ASP B 12 5.237 -0.129 -10.723 1.00 0.00 C ATOM 1661 CG ASP B 12 5.876 -0.474 -9.376 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.080 -0.670 -9.346 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.151 -0.534 -8.397 1.00 0.00 O ATOM 0 H ASP B 12 5.843 2.215 -10.173 1.00 0.00 H new ATOM 0 HA ASP B 12 7.204 0.136 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.337 0.467 -10.569 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.932 -1.040 -11.238 1.00 0.00 H new ATOM 1668 N VAL B 13 4.782 1.619 -13.283 1.00 0.00 N ATOM 1669 CA VAL B 13 4.224 1.725 -14.673 1.00 0.00 C ATOM 1670 C VAL B 13 5.259 2.377 -15.609 1.00 0.00 C ATOM 1671 O VAL B 13 5.450 1.958 -16.741 1.00 0.00 O ATOM 1672 CB VAL B 13 2.892 2.541 -14.611 1.00 0.00 C ATOM 1673 CG1 VAL B 13 2.918 3.767 -15.540 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.702 1.653 -15.012 1.00 0.00 C ATOM 0 H VAL B 13 4.383 2.267 -12.604 1.00 0.00 H new ATOM 0 HA VAL B 13 4.007 0.736 -15.077 1.00 0.00 H new ATOM 0 HB VAL B 13 2.784 2.885 -13.582 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.972 4.302 -15.463 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.734 4.428 -15.247 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.067 3.441 -16.569 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.781 2.235 -14.964 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.847 1.287 -16.028 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.633 0.807 -14.328 1.00 0.00 H new ATOM 1684 N PHE B 14 5.926 3.391 -15.144 1.00 0.00 N ATOM 1685 CA PHE B 14 6.939 4.069 -15.994 1.00 0.00 C ATOM 1686 C PHE B 14 7.994 3.051 -16.400 1.00 0.00 C ATOM 1687 O PHE B 14 8.468 3.055 -17.507 1.00 0.00 O ATOM 1688 CB PHE B 14 7.580 5.217 -15.204 1.00 0.00 C ATOM 1689 CG PHE B 14 8.758 5.781 -15.967 1.00 0.00 C ATOM 1690 CD1 PHE B 14 8.562 6.771 -16.937 1.00 0.00 C ATOM 1691 CD2 PHE B 14 10.050 5.316 -15.694 1.00 0.00 C ATOM 1692 CE1 PHE B 14 9.657 7.292 -17.636 1.00 0.00 C ATOM 1693 CE2 PHE B 14 11.144 5.837 -16.392 1.00 0.00 C ATOM 1694 CZ PHE B 14 10.948 6.824 -17.364 1.00 0.00 C ATOM 0 H PHE B 14 5.813 3.782 -14.208 1.00 0.00 H new ATOM 0 HA PHE B 14 6.470 4.480 -16.888 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.844 6.001 -15.025 1.00 0.00 H new ATOM 0 HB3 PHE B 14 7.907 4.859 -14.228 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.566 7.133 -17.146 1.00 0.00 H new ATOM 0 HD2 PHE B 14 10.202 4.554 -14.944 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.506 8.055 -18.385 1.00 0.00 H new ATOM 0 HE2 PHE B 14 12.140 5.477 -16.181 1.00 0.00 H new ATOM 0 HZ PHE B 14 11.793 7.225 -17.905 1.00 0.00 H new ATOM 1704 N HIS B 15 8.362 2.185 -15.508 1.00 0.00 N ATOM 1705 CA HIS B 15 9.386 1.155 -15.832 1.00 0.00 C ATOM 1706 C HIS B 15 8.905 0.233 -16.957 1.00 0.00 C ATOM 1707 O HIS B 15 9.690 -0.228 -17.760 1.00 0.00 O ATOM 1708 CB HIS B 15 9.691 0.319 -14.589 1.00 0.00 C ATOM 1709 CG HIS B 15 10.726 -0.717 -14.931 1.00 0.00 C ATOM 1710 ND1 HIS B 15 12.034 -0.380 -15.249 1.00 0.00 N ATOM 1711 CD2 HIS B 15 10.658 -2.086 -15.019 1.00 0.00 C ATOM 1712 CE1 HIS B 15 12.694 -1.523 -15.514 1.00 0.00 C ATOM 1713 NE2 HIS B 15 11.901 -2.588 -15.388 1.00 0.00 N ATOM 0 H HIS B 15 7.995 2.143 -14.557 1.00 0.00 H new ATOM 0 HA HIS B 15 10.288 1.668 -16.165 1.00 0.00 H new ATOM 0 HB2 HIS B 15 10.053 0.960 -13.785 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.782 -0.163 -14.228 1.00 0.00 H new ATOM 0 HD2 HIS B 15 9.776 -2.680 -14.831 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.736 -1.572 -15.794 1.00 0.00 H new ATOM 0 HE2 HIS B 15 12.153 -3.566 -15.532 1.00 0.00 H new ATOM 1722 N GLN B 16 7.638 -0.078 -17.010 1.00 0.00 N ATOM 1723 CA GLN B 16 7.158 -1.011 -18.069 1.00 0.00 C ATOM 1724 C GLN B 16 7.446 -0.455 -19.472 1.00 0.00 C ATOM 1725 O GLN B 16 7.810 -1.197 -20.362 1.00 0.00 O ATOM 1726 CB GLN B 16 5.650 -1.236 -17.907 1.00 0.00 C ATOM 1727 CG GLN B 16 5.380 -2.068 -16.648 1.00 0.00 C ATOM 1728 CD GLN B 16 5.898 -3.494 -16.858 1.00 0.00 C ATOM 1729 OE1 GLN B 16 5.589 -4.125 -17.849 1.00 0.00 O ATOM 1730 NE2 GLN B 16 6.684 -4.029 -15.964 1.00 0.00 N ATOM 0 H GLN B 16 6.921 0.269 -16.373 1.00 0.00 H new ATOM 0 HA GLN B 16 7.691 -1.956 -17.960 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.136 -0.277 -17.837 1.00 0.00 H new ATOM 0 HB3 GLN B 16 5.253 -1.748 -18.784 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.871 -1.614 -15.787 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.312 -2.086 -16.433 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.944 -3.500 -15.132 1.00 0.00 H new ATOM 0 HE22 GLN B 16 7.038 -4.976 -16.098 1.00 0.00 H new ATOM 1739 N TYR B 17 7.278 0.823 -19.698 1.00 0.00 N ATOM 1740 CA TYR B 17 7.541 1.373 -21.080 1.00 0.00 C ATOM 1741 C TYR B 17 8.983 1.872 -21.224 1.00 0.00 C ATOM 1742 O TYR B 17 9.523 1.918 -22.311 1.00 0.00 O ATOM 1743 CB TYR B 17 6.579 2.528 -21.354 1.00 0.00 C ATOM 1744 CG TYR B 17 5.202 1.969 -21.597 1.00 0.00 C ATOM 1745 CD1 TYR B 17 4.402 1.605 -20.513 1.00 0.00 C ATOM 1746 CD2 TYR B 17 4.733 1.809 -22.905 1.00 0.00 C ATOM 1747 CE1 TYR B 17 3.128 1.080 -20.733 1.00 0.00 C ATOM 1748 CE2 TYR B 17 3.457 1.287 -23.130 1.00 0.00 C ATOM 1749 CZ TYR B 17 2.651 0.921 -22.042 1.00 0.00 C ATOM 1750 OH TYR B 17 1.390 0.402 -22.260 1.00 0.00 O ATOM 0 H TYR B 17 6.975 1.507 -19.004 1.00 0.00 H new ATOM 0 HA TYR B 17 7.387 0.569 -21.799 1.00 0.00 H new ATOM 0 HB2 TYR B 17 6.563 3.214 -20.507 1.00 0.00 H new ATOM 0 HB3 TYR B 17 6.912 3.099 -22.221 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.769 1.730 -19.505 1.00 0.00 H new ATOM 0 HD2 TYR B 17 5.357 2.089 -23.741 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.509 0.796 -19.895 1.00 0.00 H new ATOM 0 HE2 TYR B 17 3.092 1.166 -24.139 1.00 0.00 H new ATOM 0 HH TYR B 17 1.083 -0.061 -21.453 1.00 0.00 H new ATOM 1760 N SER B 18 9.602 2.260 -20.155 1.00 0.00 N ATOM 1761 CA SER B 18 10.997 2.772 -20.248 1.00 0.00 C ATOM 1762 C SER B 18 11.904 1.686 -20.825 1.00 0.00 C ATOM 1763 O SER B 18 12.776 1.951 -21.628 1.00 0.00 O ATOM 1764 CB SER B 18 11.477 3.169 -18.855 1.00 0.00 C ATOM 1765 OG SER B 18 10.690 4.255 -18.393 1.00 0.00 O ATOM 0 H SER B 18 9.206 2.247 -19.215 1.00 0.00 H new ATOM 0 HA SER B 18 11.029 3.643 -20.903 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.393 2.324 -18.172 1.00 0.00 H new ATOM 0 HB3 SER B 18 12.529 3.451 -18.885 1.00 0.00 H new ATOM 0 HG SER B 18 11.239 4.841 -17.831 1.00 0.00 H new ATOM 1771 N GLY B 19 11.700 0.467 -20.422 1.00 0.00 N ATOM 1772 CA GLY B 19 12.542 -0.650 -20.944 1.00 0.00 C ATOM 1773 C GLY B 19 12.001 -1.109 -22.301 1.00 0.00 C ATOM 1774 O GLY B 19 11.890 -2.289 -22.566 1.00 0.00 O ATOM 0 H GLY B 19 10.984 0.191 -19.750 1.00 0.00 H new ATOM 0 HA2 GLY B 19 13.577 -0.322 -21.045 1.00 0.00 H new ATOM 0 HA3 GLY B 19 12.539 -1.482 -20.239 1.00 0.00 H new ATOM 1778 N ARG B 20 11.648 -0.188 -23.157 1.00 0.00 N ATOM 1779 CA ARG B 20 11.097 -0.581 -24.488 1.00 0.00 C ATOM 1780 C ARG B 20 12.233 -0.966 -25.445 1.00 0.00 C ATOM 1781 O ARG B 20 12.387 -2.117 -25.805 1.00 0.00 O ATOM 1782 CB ARG B 20 10.303 0.613 -25.065 1.00 0.00 C ATOM 1783 CG ARG B 20 8.816 0.507 -24.694 1.00 0.00 C ATOM 1784 CD ARG B 20 8.108 -0.463 -25.647 1.00 0.00 C ATOM 1785 NE ARG B 20 6.640 -0.415 -25.402 1.00 0.00 N ATOM 1786 CZ ARG B 20 5.816 -0.926 -26.274 1.00 0.00 C ATOM 1787 NH1 ARG B 20 6.279 -1.486 -27.358 1.00 0.00 N ATOM 1788 NH2 ARG B 20 4.530 -0.880 -26.061 1.00 0.00 N ATOM 0 H ARG B 20 11.717 0.817 -22.994 1.00 0.00 H new ATOM 0 HA ARG B 20 10.442 -1.444 -24.372 1.00 0.00 H new ATOM 0 HB2 ARG B 20 10.713 1.548 -24.682 1.00 0.00 H new ATOM 0 HB3 ARG B 20 10.411 0.638 -26.149 1.00 0.00 H new ATOM 0 HG2 ARG B 20 8.713 0.161 -23.666 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.348 1.490 -24.748 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.324 -0.196 -26.682 1.00 0.00 H new ATOM 0 HD3 ARG B 20 8.480 -1.476 -25.495 1.00 0.00 H new ATOM 0 HE ARG B 20 6.279 0.018 -24.552 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.285 -1.524 -27.523 1.00 0.00 H new ATOM 0 HH12 ARG B 20 5.635 -1.886 -28.040 1.00 0.00 H new ATOM 0 HH21 ARG B 20 4.169 -0.444 -25.212 1.00 0.00 H new ATOM 0 HH22 ARG B 20 3.885 -1.280 -26.743 1.00 0.00 H new ATOM 1802 N GLU B 21 13.015 -0.008 -25.870 1.00 0.00 N ATOM 1803 CA GLU B 21 14.138 -0.299 -26.823 1.00 0.00 C ATOM 1804 C GLU B 21 15.485 -0.203 -26.103 1.00 0.00 C ATOM 1805 O GLU B 21 16.499 -0.630 -26.620 1.00 0.00 O ATOM 1806 CB GLU B 21 14.101 0.719 -27.965 1.00 0.00 C ATOM 1807 CG GLU B 21 14.172 2.129 -27.385 1.00 0.00 C ATOM 1808 CD GLU B 21 14.062 3.158 -28.511 1.00 0.00 C ATOM 1809 OE1 GLU B 21 14.305 2.792 -29.648 1.00 0.00 O ATOM 1810 OE2 GLU B 21 13.732 4.295 -28.215 1.00 0.00 O ATOM 0 H GLU B 21 12.927 0.971 -25.598 1.00 0.00 H new ATOM 0 HA GLU B 21 14.020 -1.309 -27.216 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.936 0.551 -28.645 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.187 0.598 -28.546 1.00 0.00 H new ATOM 0 HG2 GLU B 21 13.367 2.277 -26.665 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.110 2.264 -26.847 1.00 0.00 H new ATOM 1817 N GLY B 22 15.511 0.342 -24.910 1.00 0.00 N ATOM 1818 CA GLY B 22 16.806 0.447 -24.164 1.00 0.00 C ATOM 1819 C GLY B 22 16.884 1.770 -23.392 1.00 0.00 C ATOM 1820 O GLY B 22 17.751 1.949 -22.560 1.00 0.00 O ATOM 0 H GLY B 22 14.697 0.717 -24.423 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.901 -0.389 -23.472 1.00 0.00 H new ATOM 0 HA3 GLY B 22 17.640 0.379 -24.863 1.00 0.00 H new ATOM 1824 N ASP B 23 16.000 2.702 -23.643 1.00 0.00 N ATOM 1825 CA ASP B 23 16.068 3.990 -22.894 1.00 0.00 C ATOM 1826 C ASP B 23 15.420 3.794 -21.520 1.00 0.00 C ATOM 1827 O ASP B 23 14.327 4.258 -21.260 1.00 0.00 O ATOM 1828 CB ASP B 23 15.327 5.075 -23.678 1.00 0.00 C ATOM 1829 CG ASP B 23 15.719 4.990 -25.154 1.00 0.00 C ATOM 1830 OD1 ASP B 23 16.897 4.826 -25.425 1.00 0.00 O ATOM 1831 OD2 ASP B 23 14.835 5.092 -25.988 1.00 0.00 O ATOM 0 H ASP B 23 15.245 2.628 -24.324 1.00 0.00 H new ATOM 0 HA ASP B 23 17.106 4.298 -22.766 1.00 0.00 H new ATOM 0 HB2 ASP B 23 14.250 4.948 -23.568 1.00 0.00 H new ATOM 0 HB3 ASP B 23 15.574 6.060 -23.281 1.00 0.00 H new ATOM 1836 N LYS B 24 16.090 3.087 -20.648 1.00 0.00 N ATOM 1837 CA LYS B 24 15.531 2.822 -19.290 1.00 0.00 C ATOM 1838 C LYS B 24 15.518 4.107 -18.466 1.00 0.00 C ATOM 1839 O LYS B 24 14.553 4.425 -17.800 1.00 0.00 O ATOM 1840 CB LYS B 24 16.435 1.819 -18.579 1.00 0.00 C ATOM 1841 CG LYS B 24 16.556 0.550 -19.425 1.00 0.00 C ATOM 1842 CD LYS B 24 17.613 -0.400 -18.814 1.00 0.00 C ATOM 1843 CE LYS B 24 18.322 -1.170 -19.930 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.332 -2.011 -20.662 1.00 0.00 N ATOM 0 H LYS B 24 17.009 2.678 -20.821 1.00 0.00 H new ATOM 0 HA LYS B 24 14.516 2.438 -19.391 1.00 0.00 H new ATOM 0 HB2 LYS B 24 17.421 2.255 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.026 1.577 -17.598 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.591 0.046 -19.478 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.837 0.810 -20.446 1.00 0.00 H new ATOM 0 HD2 LYS B 24 18.339 0.172 -18.236 1.00 0.00 H new ATOM 0 HD3 LYS B 24 17.135 -1.097 -18.125 1.00 0.00 H new ATOM 0 HE2 LYS B 24 18.803 -0.474 -20.618 1.00 0.00 H new ATOM 0 HE3 LYS B 24 19.108 -1.798 -19.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 17.834 -2.681 -21.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 16.751 -2.538 -19.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 16.719 -1.402 -21.240 1.00 0.00 H new ATOM 1858 N HIS B 25 16.602 4.834 -18.489 1.00 0.00 N ATOM 1859 CA HIS B 25 16.682 6.093 -17.683 1.00 0.00 C ATOM 1860 C HIS B 25 16.166 7.285 -18.488 1.00 0.00 C ATOM 1861 O HIS B 25 16.114 8.394 -17.995 1.00 0.00 O ATOM 1862 CB HIS B 25 18.138 6.356 -17.296 1.00 0.00 C ATOM 1863 CG HIS B 25 18.587 5.338 -16.285 1.00 0.00 C ATOM 1864 ND1 HIS B 25 19.341 4.228 -16.639 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.411 5.254 -14.925 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.590 3.531 -15.515 1.00 0.00 C ATOM 1867 NE2 HIS B 25 19.045 4.115 -14.446 1.00 0.00 N ATOM 0 H HIS B 25 17.438 4.613 -19.030 1.00 0.00 H new ATOM 0 HA HIS B 25 16.066 5.971 -16.792 1.00 0.00 H new ATOM 0 HB2 HIS B 25 18.773 6.309 -18.180 1.00 0.00 H new ATOM 0 HB3 HIS B 25 18.239 7.360 -16.884 1.00 0.00 H new ATOM 0 HD2 HIS B 25 17.864 5.964 -14.322 1.00 0.00 H new ATOM 0 HE1 HIS B 25 20.160 2.614 -15.482 1.00 0.00 H new ATOM 0 HE2 HIS B 25 19.086 3.792 -13.479 1.00 0.00 H new ATOM 1876 N LYS B 26 15.783 7.076 -19.720 1.00 0.00 N ATOM 1877 CA LYS B 26 15.270 8.210 -20.550 1.00 0.00 C ATOM 1878 C LYS B 26 14.075 7.726 -21.363 1.00 0.00 C ATOM 1879 O LYS B 26 13.977 6.570 -21.719 1.00 0.00 O ATOM 1880 CB LYS B 26 16.381 8.706 -21.477 1.00 0.00 C ATOM 1881 CG LYS B 26 15.973 10.039 -22.108 1.00 0.00 C ATOM 1882 CD LYS B 26 17.079 10.526 -23.056 1.00 0.00 C ATOM 1883 CE LYS B 26 18.374 10.808 -22.275 1.00 0.00 C ATOM 1884 NZ LYS B 26 19.164 9.550 -22.148 1.00 0.00 N ATOM 0 H LYS B 26 15.802 6.170 -20.189 1.00 0.00 H new ATOM 0 HA LYS B 26 14.957 9.034 -19.909 1.00 0.00 H new ATOM 0 HB2 LYS B 26 17.308 8.827 -20.916 1.00 0.00 H new ATOM 0 HB3 LYS B 26 16.574 7.968 -22.256 1.00 0.00 H new ATOM 0 HG2 LYS B 26 15.038 9.922 -22.655 1.00 0.00 H new ATOM 0 HG3 LYS B 26 15.796 10.781 -21.330 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.266 9.774 -23.822 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.753 11.430 -23.570 1.00 0.00 H new ATOM 0 HE2 LYS B 26 18.962 11.569 -22.788 1.00 0.00 H new ATOM 0 HE3 LYS B 26 18.136 11.202 -21.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 19.279 9.312 -21.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 18.665 8.776 -22.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 20.100 9.683 -22.582 1.00 0.00 H new ATOM 1898 N LEU B 27 13.148 8.606 -21.628 1.00 0.00 N ATOM 1899 CA LEU B 27 11.920 8.230 -22.391 1.00 0.00 C ATOM 1900 C LEU B 27 11.857 9.074 -23.669 1.00 0.00 C ATOM 1901 O LEU B 27 11.927 10.283 -23.623 1.00 0.00 O ATOM 1902 CB LEU B 27 10.711 8.528 -21.497 1.00 0.00 C ATOM 1903 CG LEU B 27 9.442 7.852 -22.039 1.00 0.00 C ATOM 1904 CD1 LEU B 27 9.415 6.363 -21.654 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.218 8.540 -21.432 1.00 0.00 C ATOM 0 H LEU B 27 13.189 9.585 -21.344 1.00 0.00 H new ATOM 0 HA LEU B 27 11.928 7.175 -22.666 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.909 8.178 -20.484 1.00 0.00 H new ATOM 0 HB3 LEU B 27 10.556 9.605 -21.437 1.00 0.00 H new ATOM 0 HG LEU B 27 9.433 7.937 -23.126 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.509 5.902 -22.047 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.288 5.863 -22.074 1.00 0.00 H new ATOM 0 HD13 LEU B 27 9.429 6.268 -20.568 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.311 8.068 -21.810 1.00 0.00 H new ATOM 0 HD22 LEU B 27 8.250 8.448 -20.346 1.00 0.00 H new ATOM 0 HD23 LEU B 27 8.220 9.595 -21.707 1.00 0.00 H new ATOM 1917 N LYS B 28 11.743 8.447 -24.813 1.00 0.00 N ATOM 1918 CA LYS B 28 11.695 9.214 -26.092 1.00 0.00 C ATOM 1919 C LYS B 28 10.236 9.476 -26.470 1.00 0.00 C ATOM 1920 O LYS B 28 9.362 8.687 -26.167 1.00 0.00 O ATOM 1921 CB LYS B 28 12.374 8.374 -27.184 1.00 0.00 C ATOM 1922 CG LYS B 28 12.399 9.138 -28.510 1.00 0.00 C ATOM 1923 CD LYS B 28 13.080 8.281 -29.579 1.00 0.00 C ATOM 1924 CE LYS B 28 13.159 9.064 -30.891 1.00 0.00 C ATOM 1925 NZ LYS B 28 11.783 9.333 -31.396 1.00 0.00 N ATOM 0 H LYS B 28 11.681 7.434 -24.915 1.00 0.00 H new ATOM 0 HA LYS B 28 12.210 10.169 -25.984 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.391 8.127 -26.881 1.00 0.00 H new ATOM 0 HB3 LYS B 28 11.841 7.432 -27.310 1.00 0.00 H new ATOM 0 HG2 LYS B 28 11.383 9.385 -28.819 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.933 10.080 -28.389 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.081 8.000 -29.251 1.00 0.00 H new ATOM 0 HD3 LYS B 28 12.522 7.357 -29.728 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.690 10.003 -30.734 1.00 0.00 H new ATOM 0 HE3 LYS B 28 13.725 8.498 -31.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.835 9.937 -32.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.321 8.434 -31.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.231 9.816 -30.659 1.00 0.00 H new ATOM 1939 N LYS B 29 9.963 10.575 -27.134 1.00 0.00 N ATOM 1940 CA LYS B 29 8.562 10.882 -27.539 1.00 0.00 C ATOM 1941 C LYS B 29 7.945 9.619 -28.135 1.00 0.00 C ATOM 1942 O LYS B 29 6.744 9.448 -28.183 1.00 0.00 O ATOM 1943 CB LYS B 29 8.563 12.004 -28.592 1.00 0.00 C ATOM 1944 CG LYS B 29 9.090 11.492 -29.944 1.00 0.00 C ATOM 1945 CD LYS B 29 9.299 12.676 -30.912 1.00 0.00 C ATOM 1946 CE LYS B 29 10.704 13.263 -30.738 1.00 0.00 C ATOM 1947 NZ LYS B 29 11.718 12.206 -31.014 1.00 0.00 N ATOM 0 H LYS B 29 10.655 11.271 -27.411 1.00 0.00 H new ATOM 0 HA LYS B 29 7.984 11.209 -26.675 1.00 0.00 H new ATOM 0 HB2 LYS B 29 7.552 12.392 -28.715 1.00 0.00 H new ATOM 0 HB3 LYS B 29 9.182 12.831 -28.246 1.00 0.00 H new ATOM 0 HG2 LYS B 29 10.030 10.960 -29.799 1.00 0.00 H new ATOM 0 HG3 LYS B 29 8.384 10.781 -30.373 1.00 0.00 H new ATOM 0 HD2 LYS B 29 9.162 12.342 -31.941 1.00 0.00 H new ATOM 0 HD3 LYS B 29 8.550 13.445 -30.724 1.00 0.00 H new ATOM 0 HE2 LYS B 29 10.845 14.104 -31.416 1.00 0.00 H new ATOM 0 HE3 LYS B 29 10.828 13.646 -29.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.637 12.650 -31.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 11.807 11.585 -30.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 11.418 11.644 -31.836 1.00 0.00 H new ATOM 1961 N SER B 30 8.787 8.736 -28.586 1.00 0.00 N ATOM 1962 CA SER B 30 8.299 7.462 -29.187 1.00 0.00 C ATOM 1963 C SER B 30 7.835 6.532 -28.071 1.00 0.00 C ATOM 1964 O SER B 30 6.749 5.988 -28.109 1.00 0.00 O ATOM 1965 CB SER B 30 9.435 6.798 -29.966 1.00 0.00 C ATOM 1966 OG SER B 30 10.432 6.354 -29.055 1.00 0.00 O ATOM 0 H SER B 30 9.801 8.841 -28.565 1.00 0.00 H new ATOM 0 HA SER B 30 7.470 7.667 -29.864 1.00 0.00 H new ATOM 0 HB2 SER B 30 9.052 5.956 -30.543 1.00 0.00 H new ATOM 0 HB3 SER B 30 9.864 7.503 -30.678 1.00 0.00 H new ATOM 0 HG SER B 30 10.984 5.667 -29.484 1.00 0.00 H new ATOM 1972 N GLU B 31 8.644 6.364 -27.064 1.00 0.00 N ATOM 1973 CA GLU B 31 8.248 5.494 -25.929 1.00 0.00 C ATOM 1974 C GLU B 31 7.070 6.154 -25.217 1.00 0.00 C ATOM 1975 O GLU B 31 6.176 5.499 -24.730 1.00 0.00 O ATOM 1976 CB GLU B 31 9.428 5.341 -24.967 1.00 0.00 C ATOM 1977 CG GLU B 31 10.518 4.490 -25.626 1.00 0.00 C ATOM 1978 CD GLU B 31 11.707 4.353 -24.672 1.00 0.00 C ATOM 1979 OE1 GLU B 31 11.764 5.103 -23.717 1.00 0.00 O ATOM 1980 OE2 GLU B 31 12.548 3.510 -24.921 1.00 0.00 O ATOM 0 H GLU B 31 9.565 6.794 -26.980 1.00 0.00 H new ATOM 0 HA GLU B 31 7.961 4.504 -26.285 1.00 0.00 H new ATOM 0 HB2 GLU B 31 9.826 6.321 -24.704 1.00 0.00 H new ATOM 0 HB3 GLU B 31 9.097 4.873 -24.040 1.00 0.00 H new ATOM 0 HG2 GLU B 31 10.124 3.505 -25.876 1.00 0.00 H new ATOM 0 HG3 GLU B 31 10.839 4.951 -26.560 1.00 0.00 H new ATOM 1987 N LEU B 32 7.076 7.458 -25.160 1.00 0.00 N ATOM 1988 CA LEU B 32 5.972 8.204 -24.491 1.00 0.00 C ATOM 1989 C LEU B 32 4.642 7.900 -25.173 1.00 0.00 C ATOM 1990 O LEU B 32 3.640 7.722 -24.524 1.00 0.00 O ATOM 1991 CB LEU B 32 6.264 9.703 -24.589 1.00 0.00 C ATOM 1992 CG LEU B 32 5.130 10.526 -23.963 1.00 0.00 C ATOM 1993 CD1 LEU B 32 4.890 10.094 -22.507 1.00 0.00 C ATOM 1994 CD2 LEU B 32 5.521 12.008 -24.008 1.00 0.00 C ATOM 0 H LEU B 32 7.810 8.046 -25.554 1.00 0.00 H new ATOM 0 HA LEU B 32 5.907 7.899 -23.446 1.00 0.00 H new ATOM 0 HB2 LEU B 32 7.203 9.928 -24.084 1.00 0.00 H new ATOM 0 HB3 LEU B 32 6.389 9.985 -25.634 1.00 0.00 H new ATOM 0 HG LEU B 32 4.209 10.362 -24.523 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.083 10.688 -22.080 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.617 9.039 -22.481 1.00 0.00 H new ATOM 0 HD13 LEU B 32 5.800 10.248 -21.927 1.00 0.00 H new ATOM 0 HD21 LEU B 32 4.725 12.608 -23.567 1.00 0.00 H new ATOM 0 HD22 LEU B 32 6.443 12.158 -23.446 1.00 0.00 H new ATOM 0 HD23 LEU B 32 5.673 12.313 -25.043 1.00 0.00 H new ATOM 2006 N LYS B 33 4.616 7.850 -26.472 1.00 0.00 N ATOM 2007 CA LYS B 33 3.328 7.560 -27.172 1.00 0.00 C ATOM 2008 C LYS B 33 2.808 6.179 -26.759 1.00 0.00 C ATOM 2009 O LYS B 33 1.622 5.977 -26.585 1.00 0.00 O ATOM 2010 CB LYS B 33 3.531 7.592 -28.690 1.00 0.00 C ATOM 2011 CG LYS B 33 2.183 7.365 -29.390 1.00 0.00 C ATOM 2012 CD LYS B 33 2.374 7.400 -30.905 1.00 0.00 C ATOM 2013 CE LYS B 33 1.010 7.273 -31.588 1.00 0.00 C ATOM 2014 NZ LYS B 33 1.192 7.243 -33.066 1.00 0.00 N ATOM 0 H LYS B 33 5.422 7.996 -27.080 1.00 0.00 H new ATOM 0 HA LYS B 33 2.601 8.322 -26.891 1.00 0.00 H new ATOM 0 HB2 LYS B 33 3.953 8.551 -28.991 1.00 0.00 H new ATOM 0 HB3 LYS B 33 4.243 6.823 -28.989 1.00 0.00 H new ATOM 0 HG2 LYS B 33 1.764 6.405 -29.089 1.00 0.00 H new ATOM 0 HG3 LYS B 33 1.471 8.133 -29.086 1.00 0.00 H new ATOM 0 HD2 LYS B 33 2.857 8.331 -31.201 1.00 0.00 H new ATOM 0 HD3 LYS B 33 3.029 6.587 -31.220 1.00 0.00 H new ATOM 0 HE2 LYS B 33 0.508 6.364 -31.255 1.00 0.00 H new ATOM 0 HE3 LYS B 33 0.372 8.111 -31.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 0.264 7.157 -33.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 1.653 8.122 -33.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 1.785 6.430 -33.326 1.00 0.00 H new ATOM 2028 N GLU B 34 3.684 5.222 -26.632 1.00 0.00 N ATOM 2029 CA GLU B 34 3.253 3.847 -26.267 1.00 0.00 C ATOM 2030 C GLU B 34 2.714 3.829 -24.840 1.00 0.00 C ATOM 2031 O GLU B 34 1.769 3.144 -24.536 1.00 0.00 O ATOM 2032 CB GLU B 34 4.448 2.899 -26.380 1.00 0.00 C ATOM 2033 CG GLU B 34 4.920 2.833 -27.833 1.00 0.00 C ATOM 2034 CD GLU B 34 6.113 1.883 -27.932 1.00 0.00 C ATOM 2035 OE1 GLU B 34 6.621 1.492 -26.894 1.00 0.00 O ATOM 2036 OE2 GLU B 34 6.503 1.565 -29.043 1.00 0.00 O ATOM 0 H GLU B 34 4.689 5.336 -26.767 1.00 0.00 H new ATOM 0 HA GLU B 34 2.463 3.524 -26.945 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.260 3.244 -25.740 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.169 1.904 -26.033 1.00 0.00 H new ATOM 0 HG2 GLU B 34 4.110 2.487 -28.475 1.00 0.00 H new ATOM 0 HG3 GLU B 34 5.201 3.827 -28.182 1.00 0.00 H new ATOM 2043 N LEU B 35 3.314 4.558 -23.957 1.00 0.00 N ATOM 2044 CA LEU B 35 2.819 4.569 -22.557 1.00 0.00 C ATOM 2045 C LEU B 35 1.413 5.168 -22.531 1.00 0.00 C ATOM 2046 O LEU B 35 0.503 4.633 -21.934 1.00 0.00 O ATOM 2047 CB LEU B 35 3.770 5.416 -21.709 1.00 0.00 C ATOM 2048 CG LEU B 35 3.308 5.433 -20.239 1.00 0.00 C ATOM 2049 CD1 LEU B 35 4.491 5.840 -19.352 1.00 0.00 C ATOM 2050 CD2 LEU B 35 2.125 6.416 -20.033 1.00 0.00 C ATOM 0 H LEU B 35 4.126 5.148 -24.139 1.00 0.00 H new ATOM 0 HA LEU B 35 2.781 3.556 -22.156 1.00 0.00 H new ATOM 0 HB2 LEU B 35 4.781 5.014 -21.774 1.00 0.00 H new ATOM 0 HB3 LEU B 35 3.805 6.434 -22.098 1.00 0.00 H new ATOM 0 HG LEU B 35 2.961 4.436 -19.966 1.00 0.00 H new ATOM 0 HD11 LEU B 35 4.175 5.855 -18.309 1.00 0.00 H new ATOM 0 HD12 LEU B 35 5.302 5.122 -19.475 1.00 0.00 H new ATOM 0 HD13 LEU B 35 4.838 6.832 -19.641 1.00 0.00 H new ATOM 0 HD21 LEU B 35 1.821 6.406 -18.986 1.00 0.00 H new ATOM 0 HD22 LEU B 35 2.436 7.423 -20.311 1.00 0.00 H new ATOM 0 HD23 LEU B 35 1.285 6.111 -20.657 1.00 0.00 H new ATOM 2062 N ILE B 36 1.241 6.288 -23.170 1.00 0.00 N ATOM 2063 CA ILE B 36 -0.089 6.961 -23.185 1.00 0.00 C ATOM 2064 C ILE B 36 -1.070 6.228 -24.109 1.00 0.00 C ATOM 2065 O ILE B 36 -2.226 6.048 -23.783 1.00 0.00 O ATOM 2066 CB ILE B 36 0.097 8.401 -23.683 1.00 0.00 C ATOM 2067 CG1 ILE B 36 1.048 9.147 -22.743 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -1.247 9.134 -23.713 1.00 0.00 C ATOM 2069 CD1 ILE B 36 1.365 10.528 -23.321 1.00 0.00 C ATOM 0 H ILE B 36 1.972 6.773 -23.689 1.00 0.00 H new ATOM 0 HA ILE B 36 -0.501 6.951 -22.176 1.00 0.00 H new ATOM 0 HB ILE B 36 0.511 8.371 -24.691 1.00 0.00 H new ATOM 0 HG12 ILE B 36 0.594 9.250 -21.757 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.968 8.577 -22.613 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -1.098 10.154 -24.068 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.931 8.613 -24.383 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -1.671 9.158 -22.709 1.00 0.00 H new ATOM 0 HD11 ILE B 36 2.042 11.057 -22.650 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.837 10.414 -24.297 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.442 11.098 -23.428 1.00 0.00 H new ATOM 2081 N ASN B 37 -0.635 5.851 -25.275 1.00 0.00 N ATOM 2082 CA ASN B 37 -1.560 5.185 -26.236 1.00 0.00 C ATOM 2083 C ASN B 37 -1.978 3.789 -25.769 1.00 0.00 C ATOM 2084 O ASN B 37 -3.093 3.365 -25.985 1.00 0.00 O ATOM 2085 CB ASN B 37 -0.871 5.072 -27.598 1.00 0.00 C ATOM 2086 CG ASN B 37 -1.812 4.389 -28.593 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -2.719 5.096 -29.209 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -1.722 3.197 -28.811 1.00 0.00 N flip ATOM 0 H ASN B 37 0.322 5.974 -25.607 1.00 0.00 H new ATOM 0 HA ASN B 37 -2.461 5.795 -26.304 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -0.597 6.062 -27.962 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.052 4.500 -27.504 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -1.013 2.643 -28.330 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -2.355 2.751 -29.475 1.00 0.00 H new ATOM 2095 N ASN B 38 -1.073 3.047 -25.202 1.00 0.00 N ATOM 2096 CA ASN B 38 -1.387 1.635 -24.790 1.00 0.00 C ATOM 2097 C ASN B 38 -1.735 1.496 -23.304 1.00 0.00 C ATOM 2098 O ASN B 38 -2.536 0.658 -22.941 1.00 0.00 O ATOM 2099 CB ASN B 38 -0.169 0.759 -25.085 1.00 0.00 C ATOM 2100 CG ASN B 38 0.191 0.892 -26.562 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -0.480 1.731 -27.300 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 1.092 0.235 -27.047 1.00 0.00 N flip ATOM 0 H ASN B 38 -0.120 3.351 -25.001 1.00 0.00 H new ATOM 0 HA ASN B 38 -2.265 1.325 -25.357 1.00 0.00 H new ATOM 0 HB2 ASN B 38 0.673 1.063 -24.463 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.385 -0.281 -24.842 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.615 -0.421 -26.466 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.325 0.339 -28.035 1.00 0.00 H new ATOM 2109 N GLU B 39 -1.126 2.256 -22.429 1.00 0.00 N ATOM 2110 CA GLU B 39 -1.430 2.078 -20.971 1.00 0.00 C ATOM 2111 C GLU B 39 -2.555 3.017 -20.536 1.00 0.00 C ATOM 2112 O GLU B 39 -3.202 2.783 -19.534 1.00 0.00 O ATOM 2113 CB GLU B 39 -0.163 2.384 -20.151 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.251 1.701 -18.780 1.00 0.00 C ATOM 2115 CD GLU B 39 0.074 0.212 -18.926 1.00 0.00 C ATOM 2116 OE1 GLU B 39 0.074 -0.267 -20.049 1.00 0.00 O ATOM 2117 OE2 GLU B 39 0.323 -0.423 -17.915 1.00 0.00 O ATOM 0 H GLU B 39 -0.443 2.980 -22.652 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.749 1.050 -20.800 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.720 2.034 -20.685 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.053 3.461 -20.024 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.445 2.169 -18.084 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -1.250 1.826 -18.364 1.00 0.00 H new ATOM 2124 N LEU B 40 -2.795 4.070 -21.278 1.00 0.00 N ATOM 2125 CA LEU B 40 -3.882 5.036 -20.899 1.00 0.00 C ATOM 2126 C LEU B 40 -4.940 5.068 -22.004 1.00 0.00 C ATOM 2127 O LEU B 40 -5.589 6.072 -22.223 1.00 0.00 O ATOM 2128 CB LEU B 40 -3.282 6.440 -20.738 1.00 0.00 C ATOM 2129 CG LEU B 40 -2.038 6.386 -19.839 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -1.481 7.802 -19.646 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -2.404 5.797 -18.473 1.00 0.00 C ATOM 0 H LEU B 40 -2.287 4.306 -22.131 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.338 4.720 -19.961 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -3.016 6.844 -21.715 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.023 7.113 -20.306 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.285 5.756 -20.313 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.598 7.762 -19.008 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.210 8.221 -20.615 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.239 8.430 -19.178 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.516 5.762 -17.842 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.162 6.421 -17.999 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.795 4.788 -18.605 1.00 0.00 H new ATOM 2143 N SER B 41 -5.105 3.989 -22.718 1.00 0.00 N ATOM 2144 CA SER B 41 -6.105 3.978 -23.824 1.00 0.00 C ATOM 2145 C SER B 41 -7.535 4.027 -23.272 1.00 0.00 C ATOM 2146 O SER B 41 -8.291 4.929 -23.567 1.00 0.00 O ATOM 2147 CB SER B 41 -5.930 2.700 -24.647 1.00 0.00 C ATOM 2148 OG SER B 41 -6.548 2.869 -25.915 1.00 0.00 O ATOM 0 H SER B 41 -4.593 3.117 -22.585 1.00 0.00 H new ATOM 0 HA SER B 41 -5.942 4.857 -24.447 1.00 0.00 H new ATOM 0 HB2 SER B 41 -4.870 2.477 -24.773 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.374 1.853 -24.123 1.00 0.00 H new ATOM 0 HG SER B 41 -6.436 2.052 -26.445 1.00 0.00 H new ATOM 2154 N HIS B 42 -7.920 3.055 -22.494 1.00 0.00 N ATOM 2155 CA HIS B 42 -9.308 3.045 -21.950 1.00 0.00 C ATOM 2156 C HIS B 42 -9.449 4.060 -20.814 1.00 0.00 C ATOM 2157 O HIS B 42 -10.450 4.738 -20.694 1.00 0.00 O ATOM 2158 CB HIS B 42 -9.628 1.650 -21.412 1.00 0.00 C ATOM 2159 CG HIS B 42 -11.064 1.600 -20.967 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -12.116 1.536 -21.870 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -11.639 1.606 -19.719 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -13.259 1.504 -21.159 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -13.022 1.545 -19.847 1.00 0.00 N ATOM 0 H HIS B 42 -7.336 2.268 -22.211 1.00 0.00 H new ATOM 0 HA HIS B 42 -9.999 3.311 -22.750 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.449 0.901 -22.184 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.969 1.411 -20.577 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.100 1.651 -18.784 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.245 1.452 -21.597 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.711 1.534 -19.095 1.00 0.00 H new ATOM 2172 N PHE B 43 -8.469 4.144 -19.962 1.00 0.00 N ATOM 2173 CA PHE B 43 -8.555 5.084 -18.810 1.00 0.00 C ATOM 2174 C PHE B 43 -8.465 6.547 -19.282 1.00 0.00 C ATOM 2175 O PHE B 43 -8.976 7.440 -18.634 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.435 4.752 -17.812 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.308 5.823 -16.741 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.447 6.399 -16.149 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.032 6.235 -16.331 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.303 7.380 -15.161 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.895 7.217 -15.344 1.00 0.00 C ATOM 2182 CZ PHE B 43 -7.029 7.790 -14.761 1.00 0.00 C ATOM 0 H PHE B 43 -7.608 3.600 -20.013 1.00 0.00 H new ATOM 0 HA PHE B 43 -9.521 4.967 -18.318 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.638 3.789 -17.343 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.489 4.654 -18.344 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.433 6.084 -16.457 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.153 5.794 -16.778 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.178 7.821 -14.707 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.911 7.533 -15.032 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.920 8.550 -14.001 1.00 0.00 H new ATOM 2192 N LEU B 44 -7.830 6.806 -20.402 1.00 0.00 N ATOM 2193 CA LEU B 44 -7.723 8.216 -20.908 1.00 0.00 C ATOM 2194 C LEU B 44 -7.919 8.199 -22.421 1.00 0.00 C ATOM 2195 O LEU B 44 -7.818 7.169 -23.054 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.337 8.800 -20.572 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.390 10.349 -20.588 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -6.835 10.879 -19.217 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.002 10.919 -20.912 1.00 0.00 C ATOM 0 H LEU B 44 -7.381 6.103 -20.988 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.483 8.836 -20.433 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.015 8.450 -19.591 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -5.601 8.447 -21.294 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.104 10.661 -21.350 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.868 11.968 -19.241 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.826 10.491 -18.981 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.127 10.555 -18.454 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.049 12.008 -20.921 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.289 10.593 -20.155 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.681 10.562 -21.890 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.210 9.319 -23.010 1.00 0.00 N ATOM 2212 CA GLU B 45 -8.417 9.331 -24.476 1.00 0.00 C ATOM 2213 C GLU B 45 -7.135 8.873 -25.177 1.00 0.00 C ATOM 2214 O GLU B 45 -6.107 9.519 -25.118 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.768 10.749 -24.921 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.095 10.760 -26.415 1.00 0.00 C ATOM 2217 CD GLU B 45 -10.386 9.980 -26.662 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -11.134 9.798 -25.716 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -10.606 9.580 -27.793 1.00 0.00 O ATOM 0 H GLU B 45 -8.313 10.220 -22.543 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.230 8.655 -24.738 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.620 11.118 -24.351 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.934 11.420 -24.718 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.205 11.786 -26.766 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.276 10.316 -26.980 1.00 0.00 H new ATOM 2226 N GLU B 46 -7.207 7.760 -25.845 1.00 0.00 N ATOM 2227 CA GLU B 46 -6.021 7.221 -26.570 1.00 0.00 C ATOM 2228 C GLU B 46 -5.530 8.245 -27.601 1.00 0.00 C ATOM 2229 O GLU B 46 -6.304 8.949 -28.214 1.00 0.00 O ATOM 2230 CB GLU B 46 -6.427 5.932 -27.296 1.00 0.00 C ATOM 2231 CG GLU B 46 -5.223 5.346 -28.038 1.00 0.00 C ATOM 2232 CD GLU B 46 -5.627 4.034 -28.712 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -6.750 3.604 -28.504 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -4.807 3.481 -29.427 1.00 0.00 O ATOM 0 H GLU B 46 -8.049 7.190 -25.922 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.221 7.017 -25.858 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -6.811 5.206 -26.579 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -7.232 6.140 -28.000 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.862 6.054 -28.784 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -4.403 5.172 -27.341 1.00 0.00 H new ATOM 2241 N ILE B 47 -4.241 8.318 -27.797 1.00 0.00 N ATOM 2242 CA ILE B 47 -3.674 9.274 -28.789 1.00 0.00 C ATOM 2243 C ILE B 47 -3.787 8.630 -30.171 1.00 0.00 C ATOM 2244 O ILE B 47 -3.608 7.438 -30.321 1.00 0.00 O ATOM 2245 CB ILE B 47 -2.195 9.559 -28.464 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -2.043 9.947 -26.974 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -1.656 10.690 -29.371 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -2.389 11.424 -26.744 1.00 0.00 C ATOM 0 H ILE B 47 -3.550 7.750 -27.307 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.218 10.218 -28.760 1.00 0.00 H new ATOM 0 HB ILE B 47 -1.614 8.656 -28.652 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -2.694 9.320 -26.365 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -1.020 9.756 -26.649 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -0.610 10.882 -29.131 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.740 10.390 -30.416 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -2.238 11.597 -29.206 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -2.272 11.665 -25.687 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -1.721 12.051 -27.335 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -3.420 11.607 -27.046 1.00 0.00 H new ATOM 2260 N LYS B 48 -4.128 9.395 -31.173 1.00 0.00 N ATOM 2261 CA LYS B 48 -4.309 8.819 -32.542 1.00 0.00 C ATOM 2262 C LYS B 48 -3.133 9.193 -33.446 1.00 0.00 C ATOM 2263 O LYS B 48 -2.932 8.593 -34.484 1.00 0.00 O ATOM 2264 CB LYS B 48 -5.605 9.390 -33.132 1.00 0.00 C ATOM 2265 CG LYS B 48 -6.690 9.457 -32.045 1.00 0.00 C ATOM 2266 CD LYS B 48 -6.981 8.061 -31.492 1.00 0.00 C ATOM 2267 CE LYS B 48 -8.126 8.151 -30.483 1.00 0.00 C ATOM 2268 NZ LYS B 48 -9.420 8.296 -31.207 1.00 0.00 N ATOM 0 H LYS B 48 -4.290 10.400 -31.104 1.00 0.00 H new ATOM 0 HA LYS B 48 -4.358 7.732 -32.476 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -5.423 10.385 -33.538 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -5.944 8.766 -33.959 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -6.365 10.114 -31.238 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -7.602 9.888 -32.459 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.247 7.383 -32.303 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.090 7.653 -31.015 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -8.145 7.258 -29.859 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.972 9.001 -29.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -10.207 8.137 -30.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -9.490 9.254 -31.605 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -9.467 7.598 -31.976 1.00 0.00 H new ATOM 2282 N GLU B 49 -2.367 10.190 -33.082 1.00 0.00 N ATOM 2283 CA GLU B 49 -1.220 10.612 -33.948 1.00 0.00 C ATOM 2284 C GLU B 49 0.014 10.942 -33.111 1.00 0.00 C ATOM 2285 O GLU B 49 -0.073 11.367 -31.976 1.00 0.00 O ATOM 2286 CB GLU B 49 -1.625 11.862 -34.728 1.00 0.00 C ATOM 2287 CG GLU B 49 -2.651 11.509 -35.800 1.00 0.00 C ATOM 2288 CD GLU B 49 -2.006 10.628 -36.872 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -0.790 10.637 -36.966 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -2.740 9.958 -37.580 1.00 0.00 O ATOM 0 H GLU B 49 -2.484 10.730 -32.225 1.00 0.00 H new ATOM 0 HA GLU B 49 -0.977 9.790 -34.621 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.041 12.604 -34.047 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.746 12.311 -35.190 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.496 10.988 -35.349 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.043 12.419 -36.253 1.00 0.00 H new ATOM 2297 N GLN B 50 1.164 10.777 -33.698 1.00 0.00 N ATOM 2298 CA GLN B 50 2.435 11.101 -33.000 1.00 0.00 C ATOM 2299 C GLN B 50 2.530 12.614 -32.836 1.00 0.00 C ATOM 2300 O GLN B 50 3.274 13.103 -32.017 1.00 0.00 O ATOM 2301 CB GLN B 50 3.612 10.589 -33.848 1.00 0.00 C ATOM 2302 CG GLN B 50 4.949 11.131 -33.318 1.00 0.00 C ATOM 2303 CD GLN B 50 5.106 10.786 -31.837 1.00 0.00 C ATOM 2304 OE1 GLN B 50 5.428 11.639 -31.034 1.00 0.00 O ATOM 2305 NE2 GLN B 50 4.898 9.562 -31.440 1.00 0.00 N ATOM 0 H GLN B 50 1.278 10.425 -34.649 1.00 0.00 H new ATOM 0 HA GLN B 50 2.465 10.627 -32.019 1.00 0.00 H new ATOM 0 HB2 GLN B 50 3.627 9.499 -33.836 1.00 0.00 H new ATOM 0 HB3 GLN B 50 3.477 10.894 -34.886 1.00 0.00 H new ATOM 0 HG2 GLN B 50 5.775 10.705 -33.888 1.00 0.00 H new ATOM 0 HG3 GLN B 50 4.992 12.212 -33.454 1.00 0.00 H new ATOM 0 HE21 GLN B 50 4.628 8.846 -32.114 1.00 0.00 H new ATOM 0 HE22 GLN B 50 5.006 9.320 -30.455 1.00 0.00 H new ATOM 2314 N GLU B 51 1.804 13.364 -33.626 1.00 0.00 N ATOM 2315 CA GLU B 51 1.886 14.851 -33.513 1.00 0.00 C ATOM 2316 C GLU B 51 1.379 15.314 -32.147 1.00 0.00 C ATOM 2317 O GLU B 51 1.933 16.210 -31.555 1.00 0.00 O ATOM 2318 CB GLU B 51 1.057 15.512 -34.621 1.00 0.00 C ATOM 2319 CG GLU B 51 -0.436 15.345 -34.326 1.00 0.00 C ATOM 2320 CD GLU B 51 -1.250 15.691 -35.573 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -0.725 16.391 -36.424 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -2.383 15.249 -35.657 1.00 0.00 O ATOM 0 H GLU B 51 1.163 13.014 -34.338 1.00 0.00 H new ATOM 0 HA GLU B 51 2.930 15.146 -33.620 1.00 0.00 H new ATOM 0 HB2 GLU B 51 1.306 16.571 -34.691 1.00 0.00 H new ATOM 0 HB3 GLU B 51 1.298 15.063 -35.585 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.643 14.320 -34.018 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -0.728 15.992 -33.499 1.00 0.00 H new ATOM 2329 N VAL B 52 0.330 14.727 -31.644 1.00 0.00 N ATOM 2330 CA VAL B 52 -0.185 15.166 -30.317 1.00 0.00 C ATOM 2331 C VAL B 52 0.896 14.950 -29.284 1.00 0.00 C ATOM 2332 O VAL B 52 1.091 15.745 -28.392 1.00 0.00 O ATOM 2333 CB VAL B 52 -1.419 14.350 -29.933 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -1.865 14.731 -28.521 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -2.549 14.633 -30.919 1.00 0.00 C ATOM 0 H VAL B 52 -0.189 13.970 -32.088 1.00 0.00 H new ATOM 0 HA VAL B 52 -0.460 16.220 -30.365 1.00 0.00 H new ATOM 0 HB VAL B 52 -1.173 13.289 -29.962 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -2.745 14.149 -28.248 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -1.060 14.523 -27.817 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -2.109 15.793 -28.491 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -3.427 14.050 -30.643 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -2.796 15.694 -30.895 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -2.232 14.357 -31.925 1.00 0.00 H new ATOM 2345 N VAL B 53 1.586 13.866 -29.393 1.00 0.00 N ATOM 2346 CA VAL B 53 2.654 13.564 -28.421 1.00 0.00 C ATOM 2347 C VAL B 53 3.800 14.552 -28.582 1.00 0.00 C ATOM 2348 O VAL B 53 4.436 14.918 -27.628 1.00 0.00 O ATOM 2349 CB VAL B 53 3.151 12.151 -28.668 1.00 0.00 C ATOM 2350 CG1 VAL B 53 4.218 11.800 -27.635 1.00 0.00 C ATOM 2351 CG2 VAL B 53 1.969 11.185 -28.558 1.00 0.00 C ATOM 0 H VAL B 53 1.455 13.166 -30.123 1.00 0.00 H new ATOM 0 HA VAL B 53 2.264 13.648 -27.407 1.00 0.00 H new ATOM 0 HB VAL B 53 3.588 12.075 -29.663 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.576 10.786 -27.811 1.00 0.00 H new ATOM 0 HG12 VAL B 53 5.051 12.498 -27.720 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.791 11.865 -26.634 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.314 10.166 -28.734 1.00 0.00 H new ATOM 0 HG22 VAL B 53 1.534 11.254 -27.561 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.215 11.446 -29.301 1.00 0.00 H new ATOM 2361 N ASP B 54 4.072 14.972 -29.781 1.00 0.00 N ATOM 2362 CA ASP B 54 5.186 15.935 -30.007 1.00 0.00 C ATOM 2363 C ASP B 54 4.850 17.269 -29.351 1.00 0.00 C ATOM 2364 O ASP B 54 5.695 17.933 -28.789 1.00 0.00 O ATOM 2365 CB ASP B 54 5.386 16.144 -31.509 1.00 0.00 C ATOM 2366 CG ASP B 54 6.597 17.050 -31.744 1.00 0.00 C ATOM 2367 OD1 ASP B 54 6.939 17.795 -30.840 1.00 0.00 O ATOM 2368 OD2 ASP B 54 7.157 16.988 -32.826 1.00 0.00 O ATOM 0 H ASP B 54 3.569 14.689 -30.622 1.00 0.00 H new ATOM 0 HA ASP B 54 6.101 15.536 -29.570 1.00 0.00 H new ATOM 0 HB2 ASP B 54 5.536 15.184 -32.003 1.00 0.00 H new ATOM 0 HB3 ASP B 54 4.494 16.592 -31.946 1.00 0.00 H new ATOM 2373 N LYS B 55 3.614 17.655 -29.425 1.00 0.00 N ATOM 2374 CA LYS B 55 3.181 18.939 -28.818 1.00 0.00 C ATOM 2375 C LYS B 55 3.313 18.801 -27.314 1.00 0.00 C ATOM 2376 O LYS B 55 3.765 19.694 -26.621 1.00 0.00 O ATOM 2377 CB LYS B 55 1.726 19.209 -29.206 1.00 0.00 C ATOM 2378 CG LYS B 55 1.280 20.560 -28.651 1.00 0.00 C ATOM 2379 CD LYS B 55 -0.096 20.906 -29.222 1.00 0.00 C ATOM 2380 CE LYS B 55 -0.624 22.179 -28.559 1.00 0.00 C ATOM 2381 NZ LYS B 55 0.257 23.327 -28.914 1.00 0.00 N ATOM 0 H LYS B 55 2.873 17.128 -29.887 1.00 0.00 H new ATOM 0 HA LYS B 55 3.792 19.771 -29.170 1.00 0.00 H new ATOM 0 HB2 LYS B 55 1.623 19.200 -30.291 1.00 0.00 H new ATOM 0 HB3 LYS B 55 1.085 18.418 -28.818 1.00 0.00 H new ATOM 0 HG2 LYS B 55 1.237 20.524 -27.562 1.00 0.00 H new ATOM 0 HG3 LYS B 55 2.002 21.332 -28.916 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -0.028 21.048 -30.301 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.789 20.082 -29.052 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.645 22.376 -28.886 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.655 22.052 -27.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.219 24.219 -28.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 1.150 23.256 -28.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 0.456 23.309 -29.935 1.00 0.00 H new ATOM 2395 N VAL B 56 2.957 17.658 -26.816 1.00 0.00 N ATOM 2396 CA VAL B 56 3.090 17.407 -25.365 1.00 0.00 C ATOM 2397 C VAL B 56 4.571 17.494 -25.023 1.00 0.00 C ATOM 2398 O VAL B 56 4.957 17.934 -23.961 1.00 0.00 O ATOM 2399 CB VAL B 56 2.548 16.009 -25.033 1.00 0.00 C ATOM 2400 CG1 VAL B 56 3.024 15.573 -23.643 1.00 0.00 C ATOM 2401 CG2 VAL B 56 1.019 16.042 -25.050 1.00 0.00 C ATOM 0 H VAL B 56 2.577 16.881 -27.357 1.00 0.00 H new ATOM 0 HA VAL B 56 2.524 18.137 -24.787 1.00 0.00 H new ATOM 0 HB VAL B 56 2.916 15.301 -25.776 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.633 14.580 -23.419 1.00 0.00 H new ATOM 0 HG12 VAL B 56 4.114 15.547 -23.623 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.664 16.281 -22.897 1.00 0.00 H new ATOM 0 HG21 VAL B 56 0.631 15.051 -24.815 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.662 16.757 -24.308 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.673 16.342 -26.039 1.00 0.00 H new ATOM 2411 N MET B 57 5.403 17.064 -25.928 1.00 0.00 N ATOM 2412 CA MET B 57 6.865 17.102 -25.667 1.00 0.00 C ATOM 2413 C MET B 57 7.366 18.543 -25.663 1.00 0.00 C ATOM 2414 O MET B 57 8.290 18.871 -24.966 1.00 0.00 O ATOM 2415 CB MET B 57 7.609 16.258 -26.701 1.00 0.00 C ATOM 2416 CG MET B 57 7.318 14.779 -26.422 1.00 0.00 C ATOM 2417 SD MET B 57 8.224 14.249 -24.946 1.00 0.00 S ATOM 2418 CE MET B 57 9.800 13.869 -25.748 1.00 0.00 C ATOM 0 H MET B 57 5.133 16.688 -26.837 1.00 0.00 H new ATOM 0 HA MET B 57 7.061 16.677 -24.682 1.00 0.00 H new ATOM 0 HB2 MET B 57 7.288 16.524 -27.708 1.00 0.00 H new ATOM 0 HB3 MET B 57 8.681 16.450 -26.647 1.00 0.00 H new ATOM 0 HG2 MET B 57 6.248 14.630 -26.277 1.00 0.00 H new ATOM 0 HG3 MET B 57 7.612 14.172 -27.279 1.00 0.00 H new ATOM 0 HE1 MET B 57 9.942 12.789 -25.777 1.00 0.00 H new ATOM 0 HE2 MET B 57 9.795 14.262 -26.765 1.00 0.00 H new ATOM 0 HE3 MET B 57 10.614 14.327 -25.186 1.00 0.00 H new ATOM 2428 N GLU B 58 6.756 19.434 -26.388 1.00 0.00 N ATOM 2429 CA GLU B 58 7.240 20.842 -26.327 1.00 0.00 C ATOM 2430 C GLU B 58 7.165 21.244 -24.863 1.00 0.00 C ATOM 2431 O GLU B 58 7.991 21.963 -24.337 1.00 0.00 O ATOM 2432 CB GLU B 58 6.312 21.756 -27.126 1.00 0.00 C ATOM 2433 CG GLU B 58 6.275 21.309 -28.581 1.00 0.00 C ATOM 2434 CD GLU B 58 7.619 21.607 -29.247 1.00 0.00 C ATOM 2435 OE1 GLU B 58 8.241 22.586 -28.870 1.00 0.00 O ATOM 2436 OE2 GLU B 58 8.004 20.850 -30.123 1.00 0.00 O ATOM 0 H GLU B 58 5.964 19.259 -27.006 1.00 0.00 H new ATOM 0 HA GLU B 58 8.247 20.926 -26.737 1.00 0.00 H new ATOM 0 HB2 GLU B 58 5.308 21.730 -26.702 1.00 0.00 H new ATOM 0 HB3 GLU B 58 6.659 22.787 -27.062 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.059 20.242 -28.638 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.474 21.825 -29.110 1.00 0.00 H new ATOM 2443 N THR B 59 6.147 20.758 -24.220 1.00 0.00 N ATOM 2444 CA THR B 59 5.920 21.051 -22.788 1.00 0.00 C ATOM 2445 C THR B 59 6.825 20.189 -21.891 1.00 0.00 C ATOM 2446 O THR B 59 7.432 20.681 -20.960 1.00 0.00 O ATOM 2447 CB THR B 59 4.459 20.726 -22.487 1.00 0.00 C ATOM 2448 OG1 THR B 59 3.634 21.304 -23.489 1.00 0.00 O ATOM 2449 CG2 THR B 59 4.069 21.283 -21.129 1.00 0.00 C ATOM 0 H THR B 59 5.444 20.152 -24.642 1.00 0.00 H new ATOM 0 HA THR B 59 6.152 22.097 -22.586 1.00 0.00 H new ATOM 0 HB THR B 59 4.328 19.644 -22.478 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.695 21.096 -23.300 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.025 21.045 -20.924 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.700 20.839 -20.359 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.202 22.365 -21.128 1.00 0.00 H new ATOM 2457 N LEU B 60 6.896 18.904 -22.139 1.00 0.00 N ATOM 2458 CA LEU B 60 7.731 18.014 -21.273 1.00 0.00 C ATOM 2459 C LEU B 60 9.164 17.935 -21.789 1.00 0.00 C ATOM 2460 O LEU B 60 10.043 17.449 -21.107 1.00 0.00 O ATOM 2461 CB LEU B 60 7.138 16.608 -21.263 1.00 0.00 C ATOM 2462 CG LEU B 60 5.643 16.674 -20.954 1.00 0.00 C ATOM 2463 CD1 LEU B 60 5.097 15.251 -20.842 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.410 17.432 -19.637 1.00 0.00 C ATOM 0 H LEU B 60 6.412 18.433 -22.903 1.00 0.00 H new ATOM 0 HA LEU B 60 7.739 18.432 -20.267 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.297 16.130 -22.230 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.645 15.996 -20.517 1.00 0.00 H new ATOM 0 HG LEU B 60 5.126 17.203 -21.755 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.030 15.287 -20.621 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.255 14.725 -21.784 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.616 14.724 -20.041 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.342 17.474 -19.425 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.921 16.915 -18.825 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.802 18.445 -19.726 1.00 0.00 H new ATOM 2476 N ASP B 61 9.425 18.406 -22.972 1.00 0.00 N ATOM 2477 CA ASP B 61 10.823 18.343 -23.478 1.00 0.00 C ATOM 2478 C ASP B 61 11.577 19.487 -22.831 1.00 0.00 C ATOM 2479 O ASP B 61 12.098 20.371 -23.482 1.00 0.00 O ATOM 2480 CB ASP B 61 10.867 18.480 -25.000 1.00 0.00 C ATOM 2481 CG ASP B 61 12.300 18.256 -25.479 1.00 0.00 C ATOM 2482 OD1 ASP B 61 13.159 18.045 -24.637 1.00 0.00 O ATOM 2483 OD2 ASP B 61 12.513 18.297 -26.679 1.00 0.00 O ATOM 0 H ASP B 61 8.744 18.826 -23.604 1.00 0.00 H new ATOM 0 HA ASP B 61 11.271 17.381 -23.230 1.00 0.00 H new ATOM 0 HB2 ASP B 61 10.198 17.755 -25.463 1.00 0.00 H new ATOM 0 HB3 ASP B 61 10.521 19.469 -25.299 1.00 0.00 H new ATOM 2488 N GLU B 62 11.610 19.469 -21.537 1.00 0.00 N ATOM 2489 CA GLU B 62 12.294 20.540 -20.782 1.00 0.00 C ATOM 2490 C GLU B 62 13.753 20.599 -21.227 1.00 0.00 C ATOM 2491 O GLU B 62 14.326 21.660 -21.379 1.00 0.00 O ATOM 2492 CB GLU B 62 12.207 20.203 -19.297 1.00 0.00 C ATOM 2493 CG GLU B 62 10.740 19.941 -18.936 1.00 0.00 C ATOM 2494 CD GLU B 62 10.598 19.797 -17.420 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.608 19.864 -16.739 1.00 0.00 O ATOM 2496 OE2 GLU B 62 9.478 19.629 -16.964 1.00 0.00 O ATOM 0 H GLU B 62 11.184 18.744 -20.960 1.00 0.00 H new ATOM 0 HA GLU B 62 11.828 21.508 -20.965 1.00 0.00 H new ATOM 0 HB2 GLU B 62 12.814 19.326 -19.073 1.00 0.00 H new ATOM 0 HB3 GLU B 62 12.602 21.025 -18.700 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.116 20.760 -19.293 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.390 19.035 -19.431 1.00 0.00 H new ATOM 2503 N ASP B 63 14.351 19.467 -21.457 1.00 0.00 N ATOM 2504 CA ASP B 63 15.766 19.455 -21.913 1.00 0.00 C ATOM 2505 C ASP B 63 15.810 19.868 -23.386 1.00 0.00 C ATOM 2506 O ASP B 63 16.861 20.121 -23.940 1.00 0.00 O ATOM 2507 CB ASP B 63 16.335 18.044 -21.762 1.00 0.00 C ATOM 2508 CG ASP B 63 16.311 17.639 -20.288 1.00 0.00 C ATOM 2509 OD1 ASP B 63 16.759 18.426 -19.470 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.842 16.550 -20.003 1.00 0.00 O ATOM 0 H ASP B 63 13.921 18.548 -21.349 1.00 0.00 H new ATOM 0 HA ASP B 63 16.358 20.148 -21.315 1.00 0.00 H new ATOM 0 HB2 ASP B 63 15.750 17.339 -22.353 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.356 18.009 -22.143 1.00 0.00 H new ATOM 2515 N GLY B 64 14.670 19.951 -24.021 1.00 0.00 N ATOM 2516 CA GLY B 64 14.643 20.362 -25.458 1.00 0.00 C ATOM 2517 C GLY B 64 15.390 19.332 -26.313 1.00 0.00 C ATOM 2518 O GLY B 64 15.970 19.669 -27.327 1.00 0.00 O ATOM 0 H GLY B 64 13.758 19.753 -23.609 1.00 0.00 H new ATOM 0 HA2 GLY B 64 13.612 20.451 -25.800 1.00 0.00 H new ATOM 0 HA3 GLY B 64 15.103 21.344 -25.573 1.00 0.00 H new ATOM 2522 N ASP B 65 15.394 18.081 -25.912 1.00 0.00 N ATOM 2523 CA ASP B 65 16.119 17.028 -26.698 1.00 0.00 C ATOM 2524 C ASP B 65 15.121 16.133 -27.437 1.00 0.00 C ATOM 2525 O ASP B 65 15.496 15.178 -28.087 1.00 0.00 O ATOM 2526 CB ASP B 65 16.953 16.179 -25.736 1.00 0.00 C ATOM 2527 CG ASP B 65 16.032 15.521 -24.707 1.00 0.00 C ATOM 2528 OD1 ASP B 65 14.878 15.911 -24.640 1.00 0.00 O ATOM 2529 OD2 ASP B 65 16.497 14.640 -24.002 1.00 0.00 O ATOM 0 H ASP B 65 14.925 17.743 -25.072 1.00 0.00 H new ATOM 0 HA ASP B 65 16.766 17.508 -27.432 1.00 0.00 H new ATOM 0 HB2 ASP B 65 17.502 15.417 -26.289 1.00 0.00 H new ATOM 0 HB3 ASP B 65 17.693 16.801 -25.232 1.00 0.00 H new ATOM 2534 N GLY B 66 13.855 16.425 -27.337 1.00 0.00 N ATOM 2535 CA GLY B 66 12.840 15.579 -28.028 1.00 0.00 C ATOM 2536 C GLY B 66 12.592 14.327 -27.187 1.00 0.00 C ATOM 2537 O GLY B 66 11.853 13.440 -27.565 1.00 0.00 O ATOM 0 H GLY B 66 13.478 17.211 -26.808 1.00 0.00 H new ATOM 0 HA2 GLY B 66 11.912 16.135 -28.161 1.00 0.00 H new ATOM 0 HA3 GLY B 66 13.192 15.303 -29.022 1.00 0.00 H new ATOM 2541 N GLU B 67 13.216 14.261 -26.041 1.00 0.00 N ATOM 2542 CA GLU B 67 13.053 13.088 -25.137 1.00 0.00 C ATOM 2543 C GLU B 67 12.869 13.600 -23.704 1.00 0.00 C ATOM 2544 O GLU B 67 13.629 14.424 -23.235 1.00 0.00 O ATOM 2545 CB GLU B 67 14.319 12.228 -25.213 1.00 0.00 C ATOM 2546 CG GLU B 67 14.740 12.086 -26.675 1.00 0.00 C ATOM 2547 CD GLU B 67 15.844 11.034 -26.798 1.00 0.00 C ATOM 2548 OE1 GLU B 67 16.398 10.664 -25.778 1.00 0.00 O ATOM 2549 OE2 GLU B 67 16.117 10.619 -27.912 1.00 0.00 O ATOM 0 H GLU B 67 13.843 14.984 -25.688 1.00 0.00 H new ATOM 0 HA GLU B 67 12.188 12.494 -25.432 1.00 0.00 H new ATOM 0 HB2 GLU B 67 15.120 12.687 -24.634 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.133 11.246 -24.778 1.00 0.00 H new ATOM 0 HG2 GLU B 67 13.882 11.799 -27.283 1.00 0.00 H new ATOM 0 HG3 GLU B 67 15.094 13.044 -27.055 1.00 0.00 H new ATOM 2556 N CYS B 68 11.881 13.111 -22.999 1.00 0.00 N ATOM 2557 CA CYS B 68 11.661 13.561 -21.586 1.00 0.00 C ATOM 2558 C CYS B 68 12.239 12.492 -20.660 1.00 0.00 C ATOM 2559 O CYS B 68 11.976 11.321 -20.814 1.00 0.00 O ATOM 2560 CB CYS B 68 10.154 13.749 -21.324 1.00 0.00 C ATOM 2561 SG CYS B 68 9.216 12.588 -22.349 1.00 0.00 S ATOM 0 H CYS B 68 11.214 12.418 -23.339 1.00 0.00 H new ATOM 0 HA CYS B 68 12.154 14.516 -21.405 1.00 0.00 H new ATOM 0 HB2 CYS B 68 9.933 13.581 -20.270 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.859 14.773 -21.552 1.00 0.00 H new ATOM 0 HG CYS B 68 8.544 13.246 -23.246 1.00 0.00 H new ATOM 2567 N ASP B 69 13.042 12.880 -19.713 1.00 0.00 N ATOM 2568 CA ASP B 69 13.649 11.873 -18.805 1.00 0.00 C ATOM 2569 C ASP B 69 12.598 11.368 -17.821 1.00 0.00 C ATOM 2570 O ASP B 69 11.511 11.901 -17.728 1.00 0.00 O ATOM 2571 CB ASP B 69 14.816 12.506 -18.045 1.00 0.00 C ATOM 2572 CG ASP B 69 14.293 13.621 -17.143 1.00 0.00 C ATOM 2573 OD1 ASP B 69 13.118 13.926 -17.240 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.077 14.156 -16.378 1.00 0.00 O ATOM 0 H ASP B 69 13.304 13.848 -19.529 1.00 0.00 H new ATOM 0 HA ASP B 69 14.019 11.032 -19.392 1.00 0.00 H new ATOM 0 HB2 ASP B 69 15.327 11.751 -17.448 1.00 0.00 H new ATOM 0 HB3 ASP B 69 15.547 12.905 -18.748 1.00 0.00 H new ATOM 2579 N PHE B 70 12.912 10.337 -17.086 1.00 0.00 N ATOM 2580 CA PHE B 70 11.942 9.791 -16.113 1.00 0.00 C ATOM 2581 C PHE B 70 11.398 10.942 -15.261 1.00 0.00 C ATOM 2582 O PHE B 70 10.228 10.995 -14.960 1.00 0.00 O ATOM 2583 CB PHE B 70 12.669 8.751 -15.247 1.00 0.00 C ATOM 2584 CG PHE B 70 11.910 8.494 -13.965 1.00 0.00 C ATOM 2585 CD1 PHE B 70 10.528 8.273 -13.993 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.595 8.483 -12.747 1.00 0.00 C ATOM 2587 CE1 PHE B 70 9.836 8.045 -12.802 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.904 8.253 -11.560 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.523 8.034 -11.584 1.00 0.00 C ATOM 0 H PHE B 70 13.807 9.850 -17.123 1.00 0.00 H new ATOM 0 HA PHE B 70 11.102 9.310 -16.614 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.778 7.820 -15.803 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.674 9.103 -15.015 1.00 0.00 H new ATOM 0 HD1 PHE B 70 9.998 8.279 -14.934 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.661 8.653 -12.726 1.00 0.00 H new ATOM 0 HE1 PHE B 70 8.769 7.877 -12.821 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.435 8.244 -10.620 1.00 0.00 H new ATOM 0 HZ PHE B 70 9.988 7.857 -10.663 1.00 0.00 H new ATOM 2599 N GLN B 71 12.237 11.864 -14.882 1.00 0.00 N ATOM 2600 CA GLN B 71 11.764 13.021 -14.067 1.00 0.00 C ATOM 2601 C GLN B 71 10.734 13.848 -14.852 1.00 0.00 C ATOM 2602 O GLN B 71 9.695 14.210 -14.343 1.00 0.00 O ATOM 2603 CB GLN B 71 12.965 13.907 -13.709 1.00 0.00 C ATOM 2604 CG GLN B 71 12.474 15.239 -13.133 1.00 0.00 C ATOM 2605 CD GLN B 71 13.641 15.984 -12.482 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.762 15.514 -12.498 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.421 17.131 -11.900 1.00 0.00 N ATOM 0 H GLN B 71 13.233 11.868 -15.101 1.00 0.00 H new ATOM 0 HA GLN B 71 11.291 12.646 -13.159 1.00 0.00 H new ATOM 0 HB2 GLN B 71 13.600 13.399 -12.984 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.574 14.086 -14.595 1.00 0.00 H new ATOM 0 HG2 GLN B 71 12.037 15.849 -13.924 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.689 15.061 -12.398 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.480 17.524 -11.887 1.00 0.00 H new ATOM 0 HE22 GLN B 71 14.190 17.634 -11.458 1.00 0.00 H new ATOM 2616 N GLU B 72 11.031 14.179 -16.072 1.00 0.00 N ATOM 2617 CA GLU B 72 10.086 15.011 -16.867 1.00 0.00 C ATOM 2618 C GLU B 72 8.736 14.293 -17.007 1.00 0.00 C ATOM 2619 O GLU B 72 7.681 14.898 -16.910 1.00 0.00 O ATOM 2620 CB GLU B 72 10.704 15.273 -18.244 1.00 0.00 C ATOM 2621 CG GLU B 72 11.759 16.381 -18.142 1.00 0.00 C ATOM 2622 CD GLU B 72 12.540 16.466 -19.457 1.00 0.00 C ATOM 2623 OE1 GLU B 72 13.427 15.652 -19.652 1.00 0.00 O ATOM 2624 OE2 GLU B 72 12.237 17.344 -20.247 1.00 0.00 O ATOM 0 H GLU B 72 11.888 13.911 -16.557 1.00 0.00 H new ATOM 0 HA GLU B 72 9.910 15.960 -16.361 1.00 0.00 H new ATOM 0 HB2 GLU B 72 11.159 14.360 -18.627 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.927 15.563 -18.951 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.279 17.336 -17.929 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.439 16.175 -17.315 1.00 0.00 H new ATOM 2631 N PHE B 73 8.757 13.008 -17.212 1.00 0.00 N ATOM 2632 CA PHE B 73 7.479 12.253 -17.338 1.00 0.00 C ATOM 2633 C PHE B 73 6.747 12.267 -15.994 1.00 0.00 C ATOM 2634 O PHE B 73 5.534 12.275 -15.933 1.00 0.00 O ATOM 2635 CB PHE B 73 7.768 10.804 -17.749 1.00 0.00 C ATOM 2636 CG PHE B 73 6.498 9.995 -17.632 1.00 0.00 C ATOM 2637 CD1 PHE B 73 6.195 9.355 -16.426 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.617 9.903 -18.715 1.00 0.00 C ATOM 2639 CE1 PHE B 73 5.012 8.622 -16.299 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.433 9.166 -18.590 1.00 0.00 C ATOM 2641 CZ PHE B 73 4.131 8.527 -17.380 1.00 0.00 C ATOM 0 H PHE B 73 9.604 12.446 -17.298 1.00 0.00 H new ATOM 0 HA PHE B 73 6.856 12.723 -18.099 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.142 10.771 -18.772 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.544 10.380 -17.112 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.877 9.427 -15.591 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.850 10.399 -19.645 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.779 8.129 -15.367 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.753 9.090 -19.426 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.217 7.961 -17.283 1.00 0.00 H new ATOM 2651 N MET B 74 7.480 12.250 -14.920 1.00 0.00 N ATOM 2652 CA MET B 74 6.841 12.240 -13.579 1.00 0.00 C ATOM 2653 C MET B 74 5.980 13.486 -13.406 1.00 0.00 C ATOM 2654 O MET B 74 4.927 13.446 -12.804 1.00 0.00 O ATOM 2655 CB MET B 74 7.917 12.205 -12.476 1.00 0.00 C ATOM 2656 CG MET B 74 8.568 10.797 -12.372 1.00 0.00 C ATOM 2657 SD MET B 74 8.485 10.205 -10.658 1.00 0.00 S ATOM 2658 CE MET B 74 6.677 10.182 -10.501 1.00 0.00 C ATOM 0 H MET B 74 8.500 12.243 -14.913 1.00 0.00 H new ATOM 0 HA MET B 74 6.216 11.351 -13.497 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.685 12.949 -12.689 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.470 12.474 -11.519 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.054 10.099 -13.033 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.606 10.841 -12.701 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.361 9.231 -10.072 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.358 10.997 -9.851 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.225 10.304 -11.485 1.00 0.00 H new ATOM 2668 N ALA B 75 6.424 14.601 -13.893 1.00 0.00 N ATOM 2669 CA ALA B 75 5.625 15.841 -13.707 1.00 0.00 C ATOM 2670 C ALA B 75 4.320 15.799 -14.514 1.00 0.00 C ATOM 2671 O ALA B 75 3.326 16.379 -14.122 1.00 0.00 O ATOM 2672 CB ALA B 75 6.460 17.055 -14.127 1.00 0.00 C ATOM 0 H ALA B 75 7.297 14.712 -14.408 1.00 0.00 H new ATOM 0 HA ALA B 75 5.360 15.920 -12.653 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.874 17.964 -13.991 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.360 17.108 -13.514 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.741 16.958 -15.176 1.00 0.00 H new ATOM 2678 N PHE B 76 4.309 15.141 -15.634 1.00 0.00 N ATOM 2679 CA PHE B 76 3.059 15.092 -16.463 1.00 0.00 C ATOM 2680 C PHE B 76 1.971 14.273 -15.770 1.00 0.00 C ATOM 2681 O PHE B 76 0.793 14.493 -15.961 1.00 0.00 O ATOM 2682 CB PHE B 76 3.391 14.463 -17.815 1.00 0.00 C ATOM 2683 CG PHE B 76 2.152 14.371 -18.681 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.661 15.511 -19.329 1.00 0.00 C ATOM 2685 CD2 PHE B 76 1.502 13.139 -18.845 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.521 15.420 -20.139 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.365 13.050 -19.657 1.00 0.00 C ATOM 2688 CZ PHE B 76 -0.126 14.190 -20.303 1.00 0.00 C ATOM 0 H PHE B 76 5.105 14.633 -16.019 1.00 0.00 H new ATOM 0 HA PHE B 76 2.684 16.107 -16.597 1.00 0.00 H new ATOM 0 HB2 PHE B 76 4.151 15.057 -18.321 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.811 13.468 -17.666 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.161 16.460 -19.205 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.879 12.259 -18.345 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.141 16.300 -20.637 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.134 12.101 -19.785 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.004 14.121 -20.928 1.00 0.00 H new ATOM 2698 N VAL B 77 2.355 13.318 -14.994 1.00 0.00 N ATOM 2699 CA VAL B 77 1.349 12.459 -14.303 1.00 0.00 C ATOM 2700 C VAL B 77 0.715 13.234 -13.150 1.00 0.00 C ATOM 2701 O VAL B 77 -0.431 13.033 -12.815 1.00 0.00 O ATOM 2702 CB VAL B 77 2.034 11.173 -13.776 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.156 9.949 -14.063 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.383 11.004 -14.475 1.00 0.00 C ATOM 0 H VAL B 77 3.329 13.085 -14.800 1.00 0.00 H new ATOM 0 HA VAL B 77 0.567 12.177 -15.008 1.00 0.00 H new ATOM 0 HB VAL B 77 2.179 11.259 -12.699 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.649 9.052 -13.688 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.192 10.068 -13.567 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.002 9.856 -15.138 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.872 10.101 -14.109 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.228 10.922 -15.551 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.013 11.868 -14.264 1.00 0.00 H new ATOM 2714 N SER B 78 1.446 14.103 -12.525 1.00 0.00 N ATOM 2715 CA SER B 78 0.853 14.855 -11.391 1.00 0.00 C ATOM 2716 C SER B 78 -0.232 15.802 -11.907 1.00 0.00 C ATOM 2717 O SER B 78 -1.268 15.963 -11.293 1.00 0.00 O ATOM 2718 CB SER B 78 1.949 15.648 -10.665 1.00 0.00 C ATOM 2719 OG SER B 78 2.409 14.886 -9.558 1.00 0.00 O ATOM 0 H SER B 78 2.417 14.325 -12.745 1.00 0.00 H new ATOM 0 HA SER B 78 0.402 14.153 -10.690 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.774 15.861 -11.345 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.559 16.608 -10.326 1.00 0.00 H new ATOM 0 HG SER B 78 2.886 14.094 -9.882 1.00 0.00 H new ATOM 2725 N MET B 79 -0.003 16.443 -13.019 1.00 0.00 N ATOM 2726 CA MET B 79 -1.029 17.387 -13.539 1.00 0.00 C ATOM 2727 C MET B 79 -2.248 16.627 -14.087 1.00 0.00 C ATOM 2728 O MET B 79 -3.380 16.997 -13.832 1.00 0.00 O ATOM 2729 CB MET B 79 -0.401 18.274 -14.626 1.00 0.00 C ATOM 2730 CG MET B 79 0.266 17.406 -15.693 1.00 0.00 C ATOM 2731 SD MET B 79 1.250 18.447 -16.801 1.00 0.00 S ATOM 2732 CE MET B 79 -0.119 19.321 -17.594 1.00 0.00 C ATOM 0 H MET B 79 0.841 16.355 -13.585 1.00 0.00 H new ATOM 0 HA MET B 79 -1.378 18.018 -12.722 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.167 18.900 -15.083 1.00 0.00 H new ATOM 0 HB3 MET B 79 0.334 18.944 -14.180 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.903 16.658 -15.221 1.00 0.00 H new ATOM 0 HG3 MET B 79 -0.491 16.867 -16.262 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.214 19.729 -18.548 1.00 0.00 H new ATOM 0 HE2 MET B 79 -0.943 18.628 -17.764 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.454 20.133 -16.949 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.046 15.563 -14.821 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.226 14.811 -15.358 1.00 0.00 C ATOM 2744 C VAL B 80 -4.081 14.316 -14.198 1.00 0.00 C ATOM 2745 O VAL B 80 -5.293 14.298 -14.266 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.788 13.604 -16.186 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.034 12.877 -16.706 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.934 14.059 -17.369 1.00 0.00 C ATOM 0 H VAL B 80 -1.132 15.185 -15.070 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.793 15.489 -15.996 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.197 12.933 -15.562 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.731 12.014 -17.298 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.639 12.544 -15.863 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.619 13.556 -17.327 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.628 13.190 -17.952 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.515 14.732 -17.999 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.050 14.579 -17.001 1.00 0.00 H new ATOM 2758 N THR B 81 -3.454 13.902 -13.139 1.00 0.00 N ATOM 2759 CA THR B 81 -4.221 13.390 -11.977 1.00 0.00 C ATOM 2760 C THR B 81 -5.174 14.477 -11.522 1.00 0.00 C ATOM 2761 O THR B 81 -6.295 14.222 -11.128 1.00 0.00 O ATOM 2762 CB THR B 81 -3.265 13.069 -10.831 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.328 12.096 -11.254 1.00 0.00 O ATOM 2764 CG2 THR B 81 -4.058 12.531 -9.633 1.00 0.00 C ATOM 0 H THR B 81 -2.440 13.896 -13.027 1.00 0.00 H new ATOM 0 HA THR B 81 -4.765 12.489 -12.260 1.00 0.00 H new ATOM 0 HB THR B 81 -2.738 13.976 -10.537 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.758 11.216 -11.276 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.373 12.303 -8.816 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.776 13.282 -9.305 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.589 11.625 -9.925 1.00 0.00 H new ATOM 2772 N THR B 82 -4.729 15.693 -11.572 1.00 0.00 N ATOM 2773 CA THR B 82 -5.590 16.814 -11.144 1.00 0.00 C ATOM 2774 C THR B 82 -6.905 16.731 -11.924 1.00 0.00 C ATOM 2775 O THR B 82 -7.978 16.922 -11.383 1.00 0.00 O ATOM 2776 CB THR B 82 -4.866 18.125 -11.464 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.490 17.987 -11.140 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.458 19.258 -10.635 1.00 0.00 C ATOM 0 H THR B 82 -3.798 15.959 -11.894 1.00 0.00 H new ATOM 0 HA THR B 82 -5.799 16.769 -10.075 1.00 0.00 H new ATOM 0 HB THR B 82 -4.982 18.351 -12.524 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.401 17.531 -10.277 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.939 20.188 -10.867 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.517 19.365 -10.869 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.342 19.032 -9.575 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.834 16.409 -13.186 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.085 16.275 -13.984 1.00 0.00 C ATOM 2788 C ALA B 83 -8.921 15.141 -13.395 1.00 0.00 C ATOM 2789 O ALA B 83 -10.132 15.214 -13.336 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.748 15.971 -15.446 1.00 0.00 C ATOM 0 H ALA B 83 -5.969 16.234 -13.697 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.647 17.208 -13.947 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.670 15.875 -16.020 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.147 16.782 -15.857 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.186 15.039 -15.504 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.280 14.096 -12.949 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.032 12.959 -12.356 1.00 0.00 C ATOM 2798 C CYS B 84 -9.869 13.478 -11.184 1.00 0.00 C ATOM 2799 O CYS B 84 -10.964 13.012 -10.940 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.046 11.896 -11.854 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.904 10.310 -11.689 1.00 0.00 S ATOM 0 H CYS B 84 -7.267 13.982 -12.970 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.684 12.514 -13.108 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.212 11.800 -12.549 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.627 12.197 -10.894 1.00 0.00 H new ATOM 0 HG CYS B 84 -8.070 9.407 -11.266 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.369 14.447 -10.459 1.00 0.00 N ATOM 2808 CA HIS B 85 -10.152 14.990 -9.313 1.00 0.00 C ATOM 2809 C HIS B 85 -11.470 15.545 -9.835 1.00 0.00 C ATOM 2810 O HIS B 85 -12.509 15.379 -9.229 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.375 16.124 -8.640 1.00 0.00 C ATOM 2812 CG HIS B 85 -10.196 16.692 -7.514 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -11.238 16.170 -6.784 1.00 0.00 N flip ATOM 2814 CD2 HIS B 85 -9.994 17.974 -7.022 1.00 0.00 C flip ATOM 2815 CE1 HIS B 85 -11.673 17.113 -5.859 1.00 0.00 C flip ATOM 2816 NE2 HIS B 85 -10.894 18.180 -6.042 1.00 0.00 N flip ATOM 0 H HIS B 85 -8.459 14.881 -10.611 1.00 0.00 H new ATOM 0 HA HIS B 85 -10.332 14.194 -8.591 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.424 15.752 -8.260 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -9.145 16.903 -9.366 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.250 18.678 -7.363 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -12.474 17.004 -5.143 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -10.971 19.045 -5.506 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.438 16.201 -10.961 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.697 16.759 -11.517 1.00 0.00 C ATOM 2827 C GLU B 86 -13.678 15.614 -11.764 1.00 0.00 C ATOM 2828 O GLU B 86 -14.855 15.718 -11.484 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.398 17.479 -12.832 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.665 18.176 -13.329 1.00 0.00 C ATOM 2831 CD GLU B 86 -13.364 18.912 -14.635 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.198 19.007 -14.983 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -14.303 19.375 -15.261 1.00 0.00 O ATOM 0 H GLU B 86 -10.599 16.373 -11.516 1.00 0.00 H new ATOM 0 HA GLU B 86 -13.133 17.469 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.601 18.209 -12.687 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -12.045 16.766 -13.578 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -14.457 17.444 -13.486 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -14.025 18.879 -12.578 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.193 14.515 -12.273 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.084 13.349 -12.522 1.00 0.00 C ATOM 2842 C PHE B 87 -14.473 12.718 -11.188 1.00 0.00 C ATOM 2843 O PHE B 87 -15.585 12.266 -10.999 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.367 12.314 -13.392 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.251 12.834 -14.806 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.339 12.720 -15.679 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -12.061 13.428 -15.243 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -14.238 13.198 -16.990 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -11.960 13.907 -16.556 1.00 0.00 C ATOM 2850 CZ PHE B 87 -13.049 13.792 -17.429 1.00 0.00 C ATOM 0 H PHE B 87 -12.215 14.375 -12.528 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.980 13.687 -13.043 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.376 12.107 -12.987 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -13.917 11.373 -13.384 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.257 12.263 -15.340 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -11.222 13.517 -14.569 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.078 13.109 -17.663 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -11.042 14.365 -16.895 1.00 0.00 H new ATOM 0 HZ PHE B 87 -12.971 14.162 -18.441 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.554 12.680 -10.261 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.847 12.077 -8.932 1.00 0.00 C ATOM 2862 C PHE B 88 -14.429 13.165 -8.022 1.00 0.00 C ATOM 2863 O PHE B 88 -13.877 13.496 -6.991 1.00 0.00 O ATOM 2864 CB PHE B 88 -12.532 11.515 -8.345 1.00 0.00 C ATOM 2865 CG PHE B 88 -12.803 10.272 -7.517 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -13.770 10.301 -6.503 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -12.088 9.091 -7.766 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -14.021 9.154 -5.741 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -12.340 7.945 -7.003 1.00 0.00 C ATOM 2870 CZ PHE B 88 -13.306 7.976 -5.991 1.00 0.00 C ATOM 0 H PHE B 88 -12.607 13.044 -10.370 1.00 0.00 H new ATOM 0 HA PHE B 88 -14.569 11.265 -9.019 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.840 11.276 -9.153 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -12.051 12.273 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -14.322 11.209 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -11.343 9.066 -8.547 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -14.766 9.177 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -11.789 7.036 -7.195 1.00 0.00 H new ATOM 0 HZ PHE B 88 -13.500 7.091 -5.403 1.00 0.00 H new ATOM 3114 N ARG X 104 19.618 19.825 5.116 1.00 0.00 N ATOM 3115 CA ARG X 104 18.857 18.599 4.762 1.00 0.00 C ATOM 3116 C ARG X 104 17.884 18.915 3.628 1.00 0.00 C ATOM 3117 O ARG X 104 17.728 18.155 2.691 1.00 0.00 O ATOM 3118 CB ARG X 104 18.069 18.114 5.987 1.00 0.00 C ATOM 3119 CG ARG X 104 17.115 16.957 5.591 1.00 0.00 C ATOM 3120 CD ARG X 104 15.693 17.486 5.305 1.00 0.00 C ATOM 3121 NE ARG X 104 15.058 16.635 4.258 1.00 0.00 N ATOM 3122 CZ ARG X 104 13.773 16.714 4.039 1.00 0.00 C ATOM 3123 NH1 ARG X 104 13.039 17.534 4.740 1.00 0.00 N ATOM 3124 NH2 ARG X 104 13.223 15.969 3.120 1.00 0.00 N ATOM 0 HA ARG X 104 19.550 17.821 4.443 1.00 0.00 H new ATOM 0 HB2 ARG X 104 18.758 17.777 6.761 1.00 0.00 H new ATOM 0 HB3 ARG X 104 17.495 18.939 6.409 1.00 0.00 H new ATOM 0 HG2 ARG X 104 17.502 16.448 4.708 1.00 0.00 H new ATOM 0 HG3 ARG X 104 17.078 16.220 6.393 1.00 0.00 H new ATOM 0 HD2 ARG X 104 15.095 17.470 6.216 1.00 0.00 H new ATOM 0 HD3 ARG X 104 15.737 18.523 4.971 1.00 0.00 H new ATOM 0 HE ARG X 104 15.629 15.990 3.712 1.00 0.00 H new ATOM 0 HH11 ARG X 104 13.469 18.114 5.460 1.00 0.00 H new ATOM 0 HH12 ARG X 104 12.035 17.595 4.568 1.00 0.00 H new ATOM 0 HH21 ARG X 104 13.797 15.326 2.574 1.00 0.00 H new ATOM 0 HH22 ARG X 104 12.219 16.029 2.948 1.00 0.00 H new ATOM 3138 N HIS X 105 17.222 20.033 3.703 1.00 0.00 N ATOM 3139 CA HIS X 105 16.260 20.383 2.631 1.00 0.00 C ATOM 3140 C HIS X 105 17.011 20.467 1.306 1.00 0.00 C ATOM 3141 O HIS X 105 16.508 20.078 0.273 1.00 0.00 O ATOM 3142 CB HIS X 105 15.587 21.724 2.936 1.00 0.00 C ATOM 3143 CG HIS X 105 14.360 21.853 2.079 1.00 0.00 C ATOM 3144 ND1 HIS X 105 13.360 20.891 2.082 1.00 0.00 N ATOM 3145 CD2 HIS X 105 13.967 22.800 1.169 1.00 0.00 C ATOM 3146 CE1 HIS X 105 12.425 21.274 1.197 1.00 0.00 C ATOM 3147 NE2 HIS X 105 12.747 22.430 0.613 1.00 0.00 N ATOM 0 H HIS X 105 17.306 20.715 4.457 1.00 0.00 H new ATOM 0 HA HIS X 105 15.487 19.617 2.572 1.00 0.00 H new ATOM 0 HB2 HIS X 105 15.319 21.781 3.991 1.00 0.00 H new ATOM 0 HB3 HIS X 105 16.275 22.546 2.737 1.00 0.00 H new ATOM 0 HD1 HIS X 105 13.339 20.046 2.653 1.00 0.00 H new ATOM 0 HD2 HIS X 105 14.519 23.695 0.922 1.00 0.00 H new ATOM 0 HE1 HIS X 105 11.525 20.716 0.985 1.00 0.00 H new ATOM 3156 N LYS X 106 18.216 20.966 1.330 1.00 0.00 N ATOM 3157 CA LYS X 106 19.001 21.066 0.071 1.00 0.00 C ATOM 3158 C LYS X 106 19.181 19.668 -0.510 1.00 0.00 C ATOM 3159 O LYS X 106 19.284 19.495 -1.711 1.00 0.00 O ATOM 3160 CB LYS X 106 20.368 21.700 0.347 1.00 0.00 C ATOM 3161 CG LYS X 106 20.190 23.140 0.854 1.00 0.00 C ATOM 3162 CD LYS X 106 19.422 23.977 -0.186 1.00 0.00 C ATOM 3163 CE LYS X 106 19.781 25.451 -0.049 1.00 0.00 C ATOM 3164 NZ LYS X 106 19.781 25.840 1.390 1.00 0.00 N ATOM 0 H LYS X 106 18.689 21.308 2.166 1.00 0.00 H new ATOM 0 HA LYS X 106 18.468 21.696 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS X 106 20.908 21.110 1.087 1.00 0.00 H new ATOM 0 HB3 LYS X 106 20.969 21.698 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS X 106 19.649 23.136 1.800 1.00 0.00 H new ATOM 0 HG3 LYS X 106 21.164 23.589 1.046 1.00 0.00 H new ATOM 0 HD2 LYS X 106 19.662 23.629 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS X 106 18.349 23.843 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS X 106 20.762 25.638 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS X 106 19.066 26.062 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 19.670 26.871 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 18.993 25.368 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 20.680 25.553 1.827 1.00 0.00 H new ATOM 3178 N LYS X 107 19.189 18.660 0.314 1.00 0.00 N ATOM 3179 CA LYS X 107 19.329 17.292 -0.239 1.00 0.00 C ATOM 3180 C LYS X 107 18.148 17.074 -1.175 1.00 0.00 C ATOM 3181 O LYS X 107 18.291 16.510 -2.232 1.00 0.00 O ATOM 3182 CB LYS X 107 19.296 16.251 0.891 1.00 0.00 C ATOM 3183 CG LYS X 107 19.441 14.825 0.330 1.00 0.00 C ATOM 3184 CD LYS X 107 20.831 14.626 -0.290 1.00 0.00 C ATOM 3185 CE LYS X 107 21.124 13.128 -0.421 1.00 0.00 C ATOM 3186 NZ LYS X 107 21.392 12.552 0.927 1.00 0.00 N ATOM 0 H LYS X 107 19.106 18.723 1.329 1.00 0.00 H new ATOM 0 HA LYS X 107 20.278 17.183 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.101 16.451 1.599 1.00 0.00 H new ATOM 0 HB3 LYS X 107 18.359 16.336 1.441 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.285 14.098 1.127 1.00 0.00 H new ATOM 0 HG3 LYS X 107 18.673 14.644 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS X 107 20.875 15.103 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS X 107 21.589 15.102 0.331 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.277 12.620 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS X 107 21.984 12.971 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 21.939 11.673 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 21.935 13.234 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 20.490 12.346 1.402 1.00 0.00 H new ATOM 3200 N LEU X 108 16.986 17.540 -0.788 1.00 0.00 N ATOM 3201 CA LEU X 108 15.775 17.386 -1.654 1.00 0.00 C ATOM 3202 C LEU X 108 15.864 18.340 -2.864 1.00 0.00 C ATOM 3203 O LEU X 108 15.305 18.085 -3.921 1.00 0.00 O ATOM 3204 CB LEU X 108 14.517 17.711 -0.832 1.00 0.00 C ATOM 3205 CG LEU X 108 13.262 17.140 -1.530 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.057 15.671 -1.136 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.021 17.936 -1.109 1.00 0.00 C ATOM 0 H LEU X 108 16.823 18.023 0.095 1.00 0.00 H new ATOM 0 HA LEU X 108 15.722 16.359 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU X 108 14.609 17.290 0.169 1.00 0.00 H new ATOM 0 HB3 LEU X 108 14.418 18.790 -0.716 1.00 0.00 H new ATOM 0 HG LEU X 108 13.406 17.215 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.170 15.281 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU X 108 13.928 15.089 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU X 108 12.928 15.599 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.141 17.527 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU X 108 11.893 17.867 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.145 18.981 -1.393 1.00 0.00 H new ATOM 3219 N MET X 109 16.555 19.441 -2.731 1.00 0.00 N ATOM 3220 CA MET X 109 16.657 20.383 -3.876 1.00 0.00 C ATOM 3221 C MET X 109 17.220 19.656 -5.096 1.00 0.00 C ATOM 3222 O MET X 109 17.007 20.072 -6.215 1.00 0.00 O ATOM 3223 CB MET X 109 17.545 21.573 -3.506 1.00 0.00 C ATOM 3224 CG MET X 109 16.790 22.471 -2.523 1.00 0.00 C ATOM 3225 SD MET X 109 15.460 23.331 -3.411 1.00 0.00 S ATOM 3226 CE MET X 109 14.080 22.866 -2.333 1.00 0.00 C ATOM 0 H MET X 109 17.049 19.725 -1.885 1.00 0.00 H new ATOM 0 HA MET X 109 15.662 20.758 -4.117 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.476 21.224 -3.059 1.00 0.00 H new ATOM 0 HB3 MET X 109 17.813 22.135 -4.400 1.00 0.00 H new ATOM 0 HG2 MET X 109 16.376 21.875 -1.710 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.471 23.193 -2.073 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.159 22.830 -2.916 1.00 0.00 H new ATOM 0 HE2 MET X 109 14.273 21.886 -1.898 1.00 0.00 H new ATOM 0 HE3 MET X 109 13.976 23.603 -1.536 1.00 0.00 H new ATOM 3236 N PHE X 110 17.957 18.588 -4.901 1.00 0.00 N ATOM 3237 CA PHE X 110 18.538 17.870 -6.079 1.00 0.00 C ATOM 3238 C PHE X 110 17.486 17.758 -7.196 1.00 0.00 C ATOM 3239 O PHE X 110 17.794 17.960 -8.351 1.00 0.00 O ATOM 3240 CB PHE X 110 19.091 16.492 -5.650 1.00 0.00 C ATOM 3241 CG PHE X 110 18.058 15.375 -5.716 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.068 15.255 -4.728 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.135 14.418 -6.738 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.163 14.188 -4.766 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.232 13.349 -6.770 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.248 13.234 -5.782 1.00 0.00 C ATOM 0 H PHE X 110 18.179 18.187 -3.990 1.00 0.00 H new ATOM 0 HA PHE X 110 19.378 18.440 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE X 110 19.935 16.233 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.472 16.564 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.005 15.988 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.893 14.506 -7.502 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.398 14.102 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.295 12.613 -7.558 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.554 12.407 -5.805 1.00 0.00 H new ATOM 3256 N LYS X 111 16.243 17.504 -6.873 1.00 0.00 N ATOM 3257 CA LYS X 111 15.201 17.471 -7.948 1.00 0.00 C ATOM 3258 C LYS X 111 14.983 18.891 -8.457 1.00 0.00 C ATOM 3259 O LYS X 111 14.810 19.121 -9.637 1.00 0.00 O ATOM 3260 CB LYS X 111 13.878 16.955 -7.397 1.00 0.00 C ATOM 3261 CG LYS X 111 13.972 15.451 -7.166 1.00 0.00 C ATOM 3262 CD LYS X 111 12.859 15.016 -6.212 1.00 0.00 C ATOM 3263 CE LYS X 111 13.087 15.597 -4.804 1.00 0.00 C ATOM 3264 NZ LYS X 111 12.704 14.575 -3.792 1.00 0.00 N ATOM 0 H LYS X 111 15.907 17.321 -5.928 1.00 0.00 H new ATOM 0 HA LYS X 111 15.539 16.812 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.639 17.462 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS X 111 13.071 17.176 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS X 111 13.883 14.920 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS X 111 14.946 15.196 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS X 111 11.894 15.349 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS X 111 12.823 13.928 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.132 15.879 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.494 16.502 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 11.896 14.922 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 12.439 13.692 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 13.509 14.396 -3.158 1.00 0.00 H new ATOM 3278 N THR X 112 14.975 19.850 -7.569 1.00 0.00 N ATOM 3279 CA THR X 112 14.757 21.253 -8.021 1.00 0.00 C ATOM 3280 C THR X 112 15.891 21.642 -8.967 1.00 0.00 C ATOM 3281 O THR X 112 15.725 22.456 -9.854 1.00 0.00 O ATOM 3282 CB THR X 112 14.719 22.204 -6.818 1.00 0.00 C ATOM 3283 OG1 THR X 112 15.945 22.134 -6.106 1.00 0.00 O ATOM 3284 CG2 THR X 112 13.562 21.812 -5.897 1.00 0.00 C ATOM 0 H THR X 112 15.108 19.725 -6.565 1.00 0.00 H new ATOM 0 HA THR X 112 13.801 21.327 -8.539 1.00 0.00 H new ATOM 0 HB THR X 112 14.573 23.225 -7.170 1.00 0.00 H new ATOM 0 HG1 THR X 112 16.463 21.364 -6.422 1.00 0.00 H new ATOM 0 HG21 THR X 112 13.533 22.487 -5.041 1.00 0.00 H new ATOM 0 HG22 THR X 112 12.622 21.880 -6.445 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.705 20.789 -5.548 1.00 0.00 H new ATOM 3292 N GLU X 113 17.041 21.051 -8.792 1.00 0.00 N ATOM 3293 CA GLU X 113 18.190 21.366 -9.686 1.00 0.00 C ATOM 3294 CB GLU X 113 17.938 20.757 -11.069 1.00 0.00 C ATOM 3295 CG GLU X 113 17.841 19.233 -10.948 1.00 0.00 C ATOM 3296 CD GLU X 113 17.589 18.625 -12.330 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.375 19.384 -13.260 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.609 17.409 -12.432 1.00 0.00 O ATOM 0 H GLU X 113 17.235 20.361 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.017 21.158 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.745 21.027 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.762 18.832 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.034 18.962 -10.267 1.00 0.00 H new ATOM 3493 N ARG Y 104 -9.178 17.999 -29.186 1.00 0.00 N ATOM 3494 CA ARG Y 104 -9.296 17.166 -27.963 1.00 0.00 C ATOM 3495 C ARG Y 104 -8.091 17.418 -27.058 1.00 0.00 C ATOM 3496 O ARG Y 104 -8.214 17.543 -25.854 1.00 0.00 O ATOM 3497 CB ARG Y 104 -9.330 15.684 -28.357 1.00 0.00 C ATOM 3498 CG ARG Y 104 -9.256 14.791 -27.093 1.00 0.00 C ATOM 3499 CD ARG Y 104 -7.805 14.332 -26.824 1.00 0.00 C ATOM 3500 NE ARG Y 104 -7.605 14.180 -25.354 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -6.550 13.562 -24.898 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -5.668 13.078 -25.728 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -6.379 13.423 -23.611 1.00 0.00 N ATOM 0 HA ARG Y 104 -10.213 17.426 -27.434 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -10.244 15.468 -28.910 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -8.495 15.458 -29.020 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -9.633 15.342 -26.231 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -9.899 13.920 -27.220 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -7.610 13.386 -27.330 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -7.100 15.060 -27.226 1.00 0.00 H new ATOM 0 HE ARG Y 104 -8.294 14.560 -24.704 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -5.803 13.183 -26.734 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -4.843 12.595 -25.371 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -7.070 13.798 -22.961 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -5.554 12.940 -23.255 1.00 0.00 H new ATOM 3517 N HIS Y 105 -6.922 17.490 -27.626 1.00 0.00 N ATOM 3518 CA HIS Y 105 -5.721 17.726 -26.790 1.00 0.00 C ATOM 3519 C HIS Y 105 -5.884 19.057 -26.064 1.00 0.00 C ATOM 3520 O HIS Y 105 -5.495 19.204 -24.925 1.00 0.00 O ATOM 3521 CB HIS Y 105 -4.461 17.757 -27.660 1.00 0.00 C ATOM 3522 CG HIS Y 105 -3.257 17.590 -26.774 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -3.128 16.512 -25.909 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -2.135 18.358 -26.586 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -1.968 16.660 -25.245 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -1.327 17.768 -25.621 1.00 0.00 N ATOM 0 H HIS Y 105 -6.749 17.396 -28.627 1.00 0.00 H new ATOM 0 HA HIS Y 105 -5.617 16.917 -26.067 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -4.496 16.961 -28.404 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -4.401 18.699 -28.205 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -3.793 15.746 -25.797 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -1.914 19.278 -27.107 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -1.601 15.969 -24.501 1.00 0.00 H new ATOM 3535 N LYS Y 106 -6.463 20.028 -26.715 1.00 0.00 N ATOM 3536 CA LYS Y 106 -6.658 21.348 -26.059 1.00 0.00 C ATOM 3537 C LYS Y 106 -7.518 21.160 -24.816 1.00 0.00 C ATOM 3538 O LYS Y 106 -7.395 21.890 -23.850 1.00 0.00 O ATOM 3539 CB LYS Y 106 -7.335 22.328 -27.025 1.00 0.00 C ATOM 3540 CG LYS Y 106 -6.429 22.586 -28.241 1.00 0.00 C ATOM 3541 CD LYS Y 106 -5.074 23.154 -27.780 1.00 0.00 C ATOM 3542 CE LYS Y 106 -4.432 23.969 -28.896 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -4.568 23.245 -30.191 1.00 0.00 N ATOM 0 H LYS Y 106 -6.809 19.963 -27.672 1.00 0.00 H new ATOM 0 HA LYS Y 106 -5.689 21.760 -25.777 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -8.292 21.923 -27.355 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -7.546 23.267 -26.513 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -6.275 21.659 -28.793 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -6.913 23.286 -28.923 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -5.216 23.780 -26.899 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -4.411 22.339 -27.489 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -4.907 24.947 -28.964 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -3.379 24.141 -28.674 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -3.865 23.606 -30.866 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -4.411 22.228 -30.038 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -5.524 23.394 -30.573 1.00 0.00 H new ATOM 3557 N LYS Y 107 -8.367 20.173 -24.805 1.00 0.00 N ATOM 3558 CA LYS Y 107 -9.187 19.958 -23.591 1.00 0.00 C ATOM 3559 C LYS Y 107 -8.215 19.703 -22.446 1.00 0.00 C ATOM 3560 O LYS Y 107 -8.404 20.183 -21.355 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.108 18.742 -23.774 1.00 0.00 C ATOM 3562 CG LYS Y 107 -10.964 18.510 -22.515 1.00 0.00 C ATOM 3563 CD LYS Y 107 -11.971 19.653 -22.332 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.080 19.211 -21.375 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.995 18.268 -22.077 1.00 0.00 N ATOM 0 H LYS Y 107 -8.525 19.518 -25.571 1.00 0.00 H new ATOM 0 HA LYS Y 107 -9.818 20.824 -23.391 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -10.756 18.898 -24.636 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -9.510 17.855 -23.981 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -11.493 17.561 -22.598 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -10.320 18.441 -21.638 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -11.467 20.536 -21.938 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.398 19.933 -23.295 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -12.648 18.730 -20.498 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -13.637 20.079 -21.021 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -14.911 18.243 -21.586 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -14.136 18.586 -23.057 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -13.577 17.316 -22.079 1.00 0.00 H new ATOM 3579 N LEU Y 108 -7.167 18.959 -22.706 1.00 0.00 N ATOM 3580 CA LEU Y 108 -6.151 18.672 -21.645 1.00 0.00 C ATOM 3581 C LEU Y 108 -5.311 19.935 -21.361 1.00 0.00 C ATOM 3582 O LEU Y 108 -4.791 20.125 -20.271 1.00 0.00 O ATOM 3583 CB LEU Y 108 -5.229 17.537 -22.118 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.496 16.908 -20.910 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -5.380 15.844 -20.243 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.195 16.244 -21.378 1.00 0.00 C ATOM 0 H LEU Y 108 -6.971 18.536 -23.613 1.00 0.00 H new ATOM 0 HA LEU Y 108 -6.663 18.373 -20.730 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -5.813 16.776 -22.635 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -4.503 17.923 -22.833 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.275 17.699 -20.193 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -4.850 15.411 -19.395 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.305 16.305 -19.896 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.613 15.060 -20.964 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -2.683 15.803 -20.523 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -3.425 15.465 -22.105 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -2.551 16.992 -21.840 1.00 0.00 H new ATOM 3598 N MET Y 109 -5.160 20.804 -22.327 1.00 0.00 N ATOM 3599 CA MET Y 109 -4.350 22.026 -22.089 1.00 0.00 C ATOM 3600 C MET Y 109 -4.909 22.792 -20.890 1.00 0.00 C ATOM 3601 O MET Y 109 -4.205 23.553 -20.261 1.00 0.00 O ATOM 3602 CB MET Y 109 -4.351 22.915 -23.334 1.00 0.00 C ATOM 3603 CG MET Y 109 -3.492 22.260 -24.418 1.00 0.00 C ATOM 3604 SD MET Y 109 -1.744 22.381 -23.943 1.00 0.00 S ATOM 3605 CE MET Y 109 -1.307 20.625 -24.067 1.00 0.00 C ATOM 0 H MET Y 109 -5.560 20.718 -23.261 1.00 0.00 H new ATOM 0 HA MET Y 109 -3.322 21.733 -21.875 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -5.370 23.055 -23.695 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -3.960 23.903 -23.091 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -3.776 21.215 -24.543 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.656 22.752 -25.377 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -0.527 20.392 -23.342 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.187 20.016 -23.861 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -0.944 20.411 -25.072 1.00 0.00 H new ATOM 3615 N PHE Y 110 -6.172 22.622 -20.574 1.00 0.00 N ATOM 3616 CA PHE Y 110 -6.748 23.376 -19.416 1.00 0.00 C ATOM 3617 C PHE Y 110 -5.759 23.363 -18.238 1.00 0.00 C ATOM 3618 O PHE Y 110 -5.563 24.370 -17.593 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.130 22.799 -19.033 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.054 21.667 -18.018 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.654 20.381 -18.409 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.451 21.895 -16.691 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.645 19.335 -17.483 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.446 20.843 -15.766 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.045 19.563 -16.166 1.00 0.00 C ATOM 0 H PHE Y 110 -6.820 22.003 -21.061 1.00 0.00 H new ATOM 0 HA PHE Y 110 -6.905 24.417 -19.698 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -8.750 23.599 -18.628 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -8.626 22.437 -19.933 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.352 20.199 -19.430 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -8.761 22.883 -16.383 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.328 18.348 -17.787 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.751 21.019 -14.745 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.045 18.751 -15.454 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.088 22.267 -17.985 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.068 22.276 -16.887 1.00 0.00 C ATOM 3637 C LYS Y 111 -2.886 23.132 -17.329 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.321 23.880 -16.557 1.00 0.00 O ATOM 3639 CB LYS Y 111 -3.560 20.863 -16.617 1.00 0.00 C ATOM 3640 CG LYS Y 111 -4.632 20.069 -15.877 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.346 18.570 -16.011 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.494 18.117 -17.476 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -5.118 16.766 -17.504 1.00 0.00 N ATOM 0 H LYS Y 111 -5.197 21.381 -18.479 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.526 22.673 -15.981 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.310 20.369 -17.556 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -2.646 20.901 -16.024 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -4.648 20.354 -14.825 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -5.616 20.300 -16.285 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.337 18.354 -15.658 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -5.032 18.006 -15.379 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.108 18.827 -18.030 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -3.519 18.092 -17.963 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -4.459 16.088 -17.937 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -5.336 16.464 -16.533 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -5.995 16.800 -18.061 1.00 0.00 H new ATOM 3657 N THR Y 112 -2.498 23.019 -18.573 1.00 0.00 N ATOM 3658 CA THR Y 112 -1.348 23.836 -19.056 1.00 0.00 C ATOM 3659 C THR Y 112 -1.694 25.316 -18.889 1.00 0.00 C ATOM 3660 O THR Y 112 -0.834 26.149 -18.682 1.00 0.00 O ATOM 3661 CB THR Y 112 -1.038 23.516 -20.522 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -2.162 23.821 -21.334 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.694 22.032 -20.651 1.00 0.00 C ATOM 0 H THR Y 112 -2.922 22.404 -19.267 1.00 0.00 H new ATOM 0 HA THR Y 112 -0.459 23.600 -18.471 1.00 0.00 H new ATOM 0 HB THR Y 112 -0.192 24.118 -20.853 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -2.935 24.014 -20.763 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.473 21.799 -21.693 1.00 0.00 H new ATOM 0 HG22 THR Y 112 0.177 21.805 -20.035 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -1.540 21.432 -20.317 1.00 0.00 H new ATOM 3671 N GLU Y 113 -2.955 25.645 -18.975 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.374 27.065 -18.815 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.217 27.480 -17.350 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.136 26.625 -16.472 1.00 0.00 C ATOM 3675 CD GLU Y 113 -3.978 27.040 -15.008 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.106 27.847 -14.732 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -4.730 26.541 -14.187 1.00 0.00 O ATOM 0 H GLU Y 113 -3.715 24.988 -19.150 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.180 27.358 -17.036 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.463 28.535 -17.232 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.173 26.748 -16.786 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.890 25.570 -16.590 1.00 0.00 H new