USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 939 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: A 74 MET CE :methyl -130:sc= -0.382 (180deg=-2.11) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.338 X(o=-0.72,f=-0.82) USER MOD Set 2.1: A 70 HIS : no HD1:sc= -1.9 K(o=-0.65,f=0.59) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -0.0967 X(o=-0.65,f=-0.16) USER MOD Set 2.3: A 99 LYS NZ :NH3+ -152:sc= 1.35 (180deg=0.924) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 MET CE :methyl -111:sc= -0.0494 (180deg=-0.627) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.17 X(o=-1.4,f=-1.5) USER MOD Set 4.2: A 11 ASN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 4.3: A 80 HIS : no HE2:sc= -1.25 K(o=-1.4,f=-8.2!) USER MOD Single : A 2 GLN : amide:sc= 0.786 K(o=0.79,f=-1.5) USER MOD Single : A 5 MET CE :methyl -175:sc= 0 (180deg=-0.00572) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= 1.13 (180deg=-0.614) USER MOD Single : A 21 LYS NZ :NH3+ -117:sc= 1.15 (180deg=-0.139) USER MOD Single : A 23 MET CE :methyl 148:sc= -0.0687 (180deg=-0.477) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -142:sc= 1.28 USER MOD Single : A 30 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.94) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.35 K(o=0.35,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -32:sc= 1.09 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.47 K(o=1.5,f=-8.6!) USER MOD Single : A 48 THR OG1 : rot -46:sc= 0.596 USER MOD Single : A 53 MET CE :methyl -166:sc= -2.75! (180deg=-3.58) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.016) USER MOD Single : A 69 HIS : no HD1:sc= 0.243 K(o=0.24,f=-4.1!) USER MOD Single : A 72 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.04) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= 0.0303 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -145:sc= 0 (180deg=-0.272) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= 0.101 USER MOD Single : A 104 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.14) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 22:sc= 0.732 USER MOD Single : A 116 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 119 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00593) USER MOD Single : A 123 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-2.7!) USER MOD Single : A 124 LYS NZ :NH3+ -166:sc= 0.766 (180deg=0.362) USER MOD Single : A 126 ASN : amide:sc= -0.0656 K(o=-0.066,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.078 -10.639 2.724 1.00 0.00 N ATOM 13 CA GLN A 2 10.636 -10.902 2.632 1.00 0.00 C ATOM 14 C GLN A 2 9.935 -10.568 3.951 1.00 0.00 C ATOM 15 O GLN A 2 8.882 -9.936 3.930 1.00 0.00 O ATOM 16 CB GLN A 2 10.320 -12.367 2.263 1.00 0.00 C ATOM 17 CG GLN A 2 10.871 -12.856 0.911 1.00 0.00 C ATOM 18 CD GLN A 2 12.363 -13.188 0.920 1.00 0.00 C ATOM 19 OE1 GLN A 2 12.970 -13.360 1.973 1.00 0.00 O ATOM 20 NE2 GLN A 2 13.012 -13.221 -0.228 1.00 0.00 N ATOM 0 HA GLN A 2 10.264 -10.259 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.714 -13.012 3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.238 -12.495 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.316 -13.743 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.686 -12.089 0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.508 -13.078 -1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.018 -13.389 -0.241 1.00 0.00 H new ATOM 29 N GLU A 3 10.536 -10.943 5.087 1.00 0.00 N ATOM 30 CA GLU A 3 9.984 -10.713 6.417 1.00 0.00 C ATOM 31 C GLU A 3 9.596 -9.245 6.590 1.00 0.00 C ATOM 32 O GLU A 3 8.459 -8.952 6.941 1.00 0.00 O ATOM 33 CB GLU A 3 11.012 -11.130 7.479 1.00 0.00 C ATOM 34 CG GLU A 3 10.403 -11.077 8.889 1.00 0.00 C ATOM 35 CD GLU A 3 11.464 -11.113 9.984 1.00 0.00 C ATOM 36 OE1 GLU A 3 12.243 -10.143 10.123 1.00 0.00 O ATOM 37 OE2 GLU A 3 11.511 -12.069 10.790 1.00 0.00 O ATOM 0 H GLU A 3 11.436 -11.423 5.102 1.00 0.00 H new ATOM 0 HA GLU A 3 9.084 -11.315 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.366 -12.139 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.879 -10.471 7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.810 -10.168 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.722 -11.918 9.019 1.00 0.00 H new ATOM 44 N VAL A 4 10.525 -8.330 6.305 1.00 0.00 N ATOM 45 CA VAL A 4 10.309 -6.894 6.397 1.00 0.00 C ATOM 46 C VAL A 4 9.154 -6.484 5.485 1.00 0.00 C ATOM 47 O VAL A 4 8.304 -5.707 5.902 1.00 0.00 O ATOM 48 CB VAL A 4 11.594 -6.148 6.003 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.398 -4.630 5.939 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.784 -6.414 6.933 1.00 0.00 C ATOM 0 H VAL A 4 11.466 -8.577 5.998 1.00 0.00 H new ATOM 0 HA VAL A 4 10.053 -6.633 7.424 1.00 0.00 H new ATOM 0 HB VAL A 4 11.820 -6.548 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.337 -4.154 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.633 -4.393 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.084 -4.262 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.650 -5.851 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.531 -6.102 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.018 -7.479 6.929 1.00 0.00 H new ATOM 60 N MET A 5 9.109 -6.947 4.234 1.00 0.00 N ATOM 61 CA MET A 5 8.116 -6.543 3.274 1.00 0.00 C ATOM 62 C MET A 5 6.714 -6.993 3.718 1.00 0.00 C ATOM 63 O MET A 5 5.748 -6.242 3.558 1.00 0.00 O ATOM 64 CB MET A 5 8.566 -7.130 1.939 1.00 0.00 C ATOM 65 CG MET A 5 7.822 -6.473 0.796 1.00 0.00 C ATOM 66 SD MET A 5 8.451 -4.850 0.289 1.00 0.00 S ATOM 67 CE MET A 5 7.076 -3.804 0.802 1.00 0.00 C ATOM 0 H MET A 5 9.779 -7.624 3.867 1.00 0.00 H new ATOM 0 HA MET A 5 8.033 -5.460 3.182 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.639 -6.985 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.386 -8.205 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.851 -7.140 -0.065 1.00 0.00 H new ATOM 0 HG3 MET A 5 6.775 -6.365 1.080 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.260 -2.778 0.482 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.154 -4.166 0.347 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.981 -3.834 1.887 1.00 0.00 H new ATOM 77 N LYS A 6 6.603 -8.172 4.336 1.00 0.00 N ATOM 78 CA LYS A 6 5.383 -8.656 4.976 1.00 0.00 C ATOM 79 C LYS A 6 5.051 -7.790 6.197 1.00 0.00 C ATOM 80 O LYS A 6 3.923 -7.326 6.343 1.00 0.00 O ATOM 81 CB LYS A 6 5.596 -10.135 5.340 1.00 0.00 C ATOM 82 CG LYS A 6 4.290 -10.909 5.555 1.00 0.00 C ATOM 83 CD LYS A 6 4.609 -12.372 5.904 1.00 0.00 C ATOM 84 CE LYS A 6 3.448 -13.334 5.628 1.00 0.00 C ATOM 85 NZ LYS A 6 2.273 -13.088 6.487 1.00 0.00 N ATOM 0 H LYS A 6 7.379 -8.830 4.405 1.00 0.00 H new ATOM 0 HA LYS A 6 4.528 -8.582 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.168 -10.617 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.197 -10.194 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.712 -10.451 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.677 -10.865 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.480 -12.692 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.880 -12.435 6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.151 -13.245 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.790 -14.358 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.523 -13.769 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.543 -13.200 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.924 -12.121 6.329 1.00 0.00 H new ATOM 99 N ASN A 7 6.041 -7.530 7.051 1.00 0.00 N ATOM 100 CA ASN A 7 5.908 -6.764 8.288 1.00 0.00 C ATOM 101 C ASN A 7 5.500 -5.315 8.039 1.00 0.00 C ATOM 102 O ASN A 7 4.803 -4.702 8.848 1.00 0.00 O ATOM 103 CB ASN A 7 7.253 -6.746 9.017 1.00 0.00 C ATOM 104 CG ASN A 7 7.074 -6.183 10.425 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.137 -6.525 11.142 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.974 -5.336 10.869 1.00 0.00 N ATOM 0 H ASN A 7 6.993 -7.860 6.893 1.00 0.00 H new ATOM 0 HA ASN A 7 5.130 -7.248 8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.662 -7.755 9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.969 -6.140 8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.897 -4.959 11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.750 -5.055 10.269 1.00 0.00 H new ATOM 113 N LEU A 8 5.942 -4.754 6.918 1.00 0.00 N ATOM 114 CA LEU A 8 5.575 -3.430 6.462 1.00 0.00 C ATOM 115 C LEU A 8 4.059 -3.392 6.294 1.00 0.00 C ATOM 116 O LEU A 8 3.414 -2.527 6.880 1.00 0.00 O ATOM 117 CB LEU A 8 6.323 -3.089 5.160 1.00 0.00 C ATOM 118 CG LEU A 8 7.753 -2.557 5.381 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.559 -2.532 4.075 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.726 -1.126 5.905 1.00 0.00 C ATOM 0 H LEU A 8 6.586 -5.229 6.286 1.00 0.00 H new ATOM 0 HA LEU A 8 5.864 -2.671 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.370 -3.981 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.750 -2.344 4.608 1.00 0.00 H new ATOM 0 HG LEU A 8 8.218 -3.232 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.561 -2.151 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.628 -3.542 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.061 -1.885 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.747 -0.773 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.221 -0.484 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.191 -1.096 6.854 1.00 0.00 H new ATOM 132 N SER A 9 3.474 -4.368 5.594 1.00 0.00 N ATOM 133 CA SER A 9 2.024 -4.498 5.463 1.00 0.00 C ATOM 134 C SER A 9 1.323 -4.747 6.805 1.00 0.00 C ATOM 135 O SER A 9 0.194 -4.289 6.996 1.00 0.00 O ATOM 136 CB SER A 9 1.694 -5.627 4.485 1.00 0.00 C ATOM 137 OG SER A 9 1.970 -5.201 3.169 1.00 0.00 O ATOM 0 H SER A 9 3.997 -5.092 5.101 1.00 0.00 H new ATOM 0 HA SER A 9 1.650 -3.548 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.282 -6.513 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.645 -5.907 4.576 1.00 0.00 H new ATOM 0 HG SER A 9 1.761 -5.923 2.541 1.00 0.00 H new ATOM 143 N LEU A 10 1.990 -5.418 7.751 1.00 0.00 N ATOM 144 CA LEU A 10 1.429 -5.802 9.033 1.00 0.00 C ATOM 145 C LEU A 10 1.151 -4.538 9.818 1.00 0.00 C ATOM 146 O LEU A 10 0.061 -4.333 10.353 1.00 0.00 O ATOM 147 CB LEU A 10 2.425 -6.714 9.771 1.00 0.00 C ATOM 148 CG LEU A 10 1.845 -7.360 11.039 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.283 -8.744 10.717 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.944 -7.497 12.095 1.00 0.00 C ATOM 0 H LEU A 10 2.960 -5.712 7.634 1.00 0.00 H new ATOM 0 HA LEU A 10 0.499 -6.357 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.757 -7.500 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.307 -6.132 10.040 1.00 0.00 H new ATOM 0 HG LEU A 10 1.044 -6.727 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.875 -9.191 11.624 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.494 -8.652 9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.079 -9.378 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.530 -7.955 12.993 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.747 -8.123 11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.339 -6.511 12.340 1.00 0.00 H new ATOM 162 N ASN A 11 2.165 -3.682 9.870 1.00 0.00 N ATOM 163 CA ASN A 11 2.118 -2.464 10.638 1.00 0.00 C ATOM 164 C ASN A 11 1.395 -1.349 9.889 1.00 0.00 C ATOM 165 O ASN A 11 0.774 -0.493 10.512 1.00 0.00 O ATOM 166 CB ASN A 11 3.538 -2.054 10.997 1.00 0.00 C ATOM 167 CG ASN A 11 4.057 -2.787 12.231 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.685 -2.467 13.363 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.915 -3.775 12.056 1.00 0.00 N ATOM 0 H ASN A 11 3.045 -3.823 9.374 1.00 0.00 H new ATOM 0 HA ASN A 11 1.548 -2.643 11.550 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.197 -2.257 10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.570 -0.979 11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.278 -4.284 12.862 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.215 -4.030 11.115 1.00 0.00 H new ATOM 176 N PHE A 12 1.437 -1.361 8.556 1.00 0.00 N ATOM 177 CA PHE A 12 0.635 -0.489 7.709 1.00 0.00 C ATOM 178 C PHE A 12 -0.840 -0.723 8.022 1.00 0.00 C ATOM 179 O PHE A 12 -1.546 0.199 8.424 1.00 0.00 O ATOM 180 CB PHE A 12 0.976 -0.773 6.244 1.00 0.00 C ATOM 181 CG PHE A 12 0.090 -0.129 5.197 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.218 1.241 4.915 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.819 -0.909 4.456 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.544 1.834 3.898 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.577 -0.319 3.429 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.438 1.053 3.154 1.00 0.00 C ATOM 0 H PHE A 12 2.042 -1.990 8.029 1.00 0.00 H new ATOM 0 HA PHE A 12 0.852 0.562 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.002 -0.450 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.951 -1.852 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.909 1.843 5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.934 -1.960 4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.442 2.889 3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.265 -0.919 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.022 1.506 2.367 1.00 0.00 H new ATOM 196 N GLY A 13 -1.300 -1.972 7.921 1.00 0.00 N ATOM 197 CA GLY A 13 -2.670 -2.371 8.201 1.00 0.00 C ATOM 198 C GLY A 13 -2.987 -2.464 9.690 1.00 0.00 C ATOM 199 O GLY A 13 -3.757 -3.345 10.077 1.00 0.00 O ATOM 0 H GLY A 13 -0.708 -2.752 7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.350 -1.656 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.860 -3.339 7.737 1.00 0.00 H new ATOM 203 N LYS A 14 -2.418 -1.606 10.545 1.00 0.00 N ATOM 204 CA LYS A 14 -2.895 -1.461 11.920 1.00 0.00 C ATOM 205 C LYS A 14 -4.299 -0.877 11.877 1.00 0.00 C ATOM 206 O LYS A 14 -5.263 -1.604 12.081 1.00 0.00 O ATOM 207 CB LYS A 14 -1.939 -0.604 12.769 1.00 0.00 C ATOM 208 CG LYS A 14 -0.659 -1.336 13.173 1.00 0.00 C ATOM 209 CD LYS A 14 -0.959 -2.326 14.285 1.00 0.00 C ATOM 210 CE LYS A 14 0.335 -2.905 14.852 1.00 0.00 C ATOM 211 NZ LYS A 14 0.081 -3.922 15.892 1.00 0.00 N ATOM 0 H LYS A 14 -1.629 -1.005 10.307 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.923 -2.437 12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.674 0.293 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.460 -0.276 13.669 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.241 -1.858 12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.091 -0.619 13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.521 -1.832 15.078 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.587 -3.131 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.916 -3.350 14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.938 -2.100 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.987 -4.288 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.451 -3.492 16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.472 -4.704 15.486 1.00 0.00 H new ATOM 225 N ALA A 15 -4.423 0.411 11.554 1.00 0.00 N ATOM 226 CA ALA A 15 -5.652 1.193 11.666 1.00 0.00 C ATOM 227 C ALA A 15 -6.717 0.852 10.605 1.00 0.00 C ATOM 228 O ALA A 15 -7.517 1.712 10.238 1.00 0.00 O ATOM 229 CB ALA A 15 -5.272 2.680 11.627 1.00 0.00 C ATOM 0 H ALA A 15 -3.640 0.957 11.194 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.129 0.939 12.613 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.173 3.288 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.604 2.907 12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.769 2.902 10.686 1.00 0.00 H new ATOM 235 N LEU A 16 -6.731 -0.364 10.057 1.00 0.00 N ATOM 236 CA LEU A 16 -7.678 -0.750 9.020 1.00 0.00 C ATOM 237 C LEU A 16 -9.098 -0.727 9.572 1.00 0.00 C ATOM 238 O LEU A 16 -9.957 -0.137 8.931 1.00 0.00 O ATOM 239 CB LEU A 16 -7.308 -2.131 8.450 1.00 0.00 C ATOM 240 CG LEU A 16 -8.263 -2.587 7.329 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.021 -1.788 6.047 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.112 -4.084 7.053 1.00 0.00 C ATOM 0 H LEU A 16 -6.084 -1.107 10.323 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.630 -0.032 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.289 -2.099 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.321 -2.867 9.254 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.282 -2.400 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.707 -2.128 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.190 -0.729 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.994 -1.937 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.797 -4.378 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.088 -4.296 6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.343 -4.646 7.958 1.00 0.00 H new ATOM 254 N ASP A 17 -9.363 -1.321 10.741 1.00 0.00 N ATOM 255 CA ASP A 17 -10.706 -1.364 11.328 1.00 0.00 C ATOM 256 C ASP A 17 -11.214 0.049 11.656 1.00 0.00 C ATOM 257 O ASP A 17 -12.414 0.309 11.608 1.00 0.00 O ATOM 258 CB ASP A 17 -10.692 -2.257 12.580 1.00 0.00 C ATOM 259 CG ASP A 17 -11.770 -3.349 12.558 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.807 -3.201 11.884 1.00 0.00 O ATOM 261 OD2 ASP A 17 -11.522 -4.451 13.105 1.00 0.00 O ATOM 0 H ASP A 17 -8.652 -1.785 11.306 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.396 -1.791 10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.712 -2.725 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.833 -1.634 13.464 1.00 0.00 H new ATOM 266 N GLU A 18 -10.301 0.992 11.917 1.00 0.00 N ATOM 267 CA GLU A 18 -10.634 2.404 12.095 1.00 0.00 C ATOM 268 C GLU A 18 -11.147 2.966 10.773 1.00 0.00 C ATOM 269 O GLU A 18 -12.282 3.430 10.701 1.00 0.00 O ATOM 270 CB GLU A 18 -9.437 3.211 12.585 1.00 0.00 C ATOM 271 CG GLU A 18 -9.025 2.744 13.977 1.00 0.00 C ATOM 272 CD GLU A 18 -9.748 3.448 15.121 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.971 3.708 15.071 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.076 3.710 16.143 1.00 0.00 O ATOM 0 H GLU A 18 -9.305 0.792 12.011 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.408 2.482 12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.603 3.096 11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.688 4.271 12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.206 1.672 14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.952 2.896 14.094 1.00 0.00 H new ATOM 281 N CYS A 19 -10.330 2.864 9.716 1.00 0.00 N ATOM 282 CA CYS A 19 -10.686 3.294 8.371 1.00 0.00 C ATOM 283 C CYS A 19 -11.984 2.617 7.902 1.00 0.00 C ATOM 284 O CYS A 19 -12.802 3.269 7.256 1.00 0.00 O ATOM 285 CB CYS A 19 -9.511 3.005 7.417 1.00 0.00 C ATOM 286 SG CYS A 19 -8.010 3.982 7.719 1.00 0.00 S ATOM 0 H CYS A 19 -9.390 2.473 9.780 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.875 4.367 8.372 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.257 1.947 7.489 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.842 3.184 6.394 1.00 0.00 H new ATOM 291 N LYS A 20 -12.206 1.340 8.238 1.00 0.00 N ATOM 292 CA LYS A 20 -13.411 0.594 7.948 1.00 0.00 C ATOM 293 C LYS A 20 -14.625 1.294 8.536 1.00 0.00 C ATOM 294 O LYS A 20 -15.508 1.675 7.773 1.00 0.00 O ATOM 295 CB LYS A 20 -13.258 -0.839 8.466 1.00 0.00 C ATOM 296 CG LYS A 20 -12.429 -1.754 7.545 1.00 0.00 C ATOM 297 CD LYS A 20 -11.933 -3.065 8.175 1.00 0.00 C ATOM 298 CE LYS A 20 -13.105 -3.808 8.803 1.00 0.00 C ATOM 299 NZ LYS A 20 -12.711 -4.856 9.760 1.00 0.00 N ATOM 0 H LYS A 20 -11.513 0.785 8.741 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.567 0.547 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.789 -0.811 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.249 -1.274 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.031 -1.999 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.564 -1.193 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.459 -3.688 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.177 -2.853 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.746 -3.089 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.701 -4.261 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.218 -5.736 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.686 -5.021 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.950 -4.552 10.726 1.00 0.00 H new ATOM 313 N LYS A 21 -14.682 1.509 9.854 1.00 0.00 N ATOM 314 CA LYS A 21 -15.741 2.172 10.532 1.00 0.00 C ATOM 315 C LYS A 21 -15.899 3.588 9.962 1.00 0.00 C ATOM 316 O LYS A 21 -17.026 4.016 9.729 1.00 0.00 O ATOM 317 CB LYS A 21 -15.364 2.036 12.031 1.00 0.00 C ATOM 318 CG LYS A 21 -15.985 3.138 12.860 1.00 0.00 C ATOM 319 CD LYS A 21 -15.035 4.306 13.142 1.00 0.00 C ATOM 320 CE LYS A 21 -14.393 4.137 14.521 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.383 5.178 14.799 1.00 0.00 N ATOM 0 H LYS A 21 -13.943 1.201 10.486 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.740 1.756 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.696 1.067 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.280 2.065 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.868 3.516 12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.324 2.720 13.808 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.262 4.350 12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.581 5.248 13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.168 4.171 15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.926 3.154 14.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.449 4.734 14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.352 5.852 14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.636 5.682 15.673 1.00 0.00 H new ATOM 335 N GLU A 22 -14.807 4.325 9.768 1.00 0.00 N ATOM 336 CA GLU A 22 -14.823 5.724 9.353 1.00 0.00 C ATOM 337 C GLU A 22 -15.498 5.897 7.987 1.00 0.00 C ATOM 338 O GLU A 22 -16.270 6.837 7.782 1.00 0.00 O ATOM 339 CB GLU A 22 -13.368 6.236 9.325 1.00 0.00 C ATOM 340 CG GLU A 22 -12.836 6.650 10.714 1.00 0.00 C ATOM 341 CD GLU A 22 -12.505 8.144 10.804 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.717 8.650 9.971 1.00 0.00 O ATOM 343 OE2 GLU A 22 -13.053 8.819 11.707 1.00 0.00 O ATOM 0 H GLU A 22 -13.865 3.956 9.898 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.408 6.309 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.725 5.457 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.304 7.090 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.579 6.401 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.942 6.070 10.943 1.00 0.00 H new ATOM 350 N MET A 23 -15.194 5.013 7.038 1.00 0.00 N ATOM 351 CA MET A 23 -15.485 5.201 5.623 1.00 0.00 C ATOM 352 C MET A 23 -16.552 4.218 5.127 1.00 0.00 C ATOM 353 O MET A 23 -16.919 4.275 3.949 1.00 0.00 O ATOM 354 CB MET A 23 -14.167 5.027 4.856 1.00 0.00 C ATOM 355 CG MET A 23 -13.054 5.979 5.317 1.00 0.00 C ATOM 356 SD MET A 23 -11.376 5.411 4.969 1.00 0.00 S ATOM 357 CE MET A 23 -11.393 5.327 3.167 1.00 0.00 C ATOM 0 H MET A 23 -14.728 4.128 7.239 1.00 0.00 H new ATOM 0 HA MET A 23 -15.894 6.197 5.456 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.824 3.999 4.970 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.352 5.186 3.794 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.201 6.946 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.153 6.138 6.391 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.399 5.555 2.783 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.682 4.324 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.108 6.051 2.776 1.00 0.00 H new ATOM 367 N THR A 24 -17.031 3.329 5.999 1.00 0.00 N ATOM 368 CA THR A 24 -17.778 2.122 5.687 1.00 0.00 C ATOM 369 C THR A 24 -17.028 1.293 4.642 1.00 0.00 C ATOM 370 O THR A 24 -17.278 1.428 3.438 1.00 0.00 O ATOM 371 CB THR A 24 -19.221 2.458 5.292 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.820 3.273 6.284 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.023 1.165 5.137 1.00 0.00 C ATOM 0 H THR A 24 -16.896 3.446 7.003 1.00 0.00 H new ATOM 0 HA THR A 24 -17.855 1.499 6.578 1.00 0.00 H new ATOM 0 HB THR A 24 -19.214 2.999 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.741 3.484 6.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.049 1.404 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.570 0.546 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.023 0.621 6.082 1.00 0.00 H new ATOM 381 N LEU A 25 -16.101 0.444 5.095 1.00 0.00 N ATOM 382 CA LEU A 25 -15.338 -0.451 4.225 1.00 0.00 C ATOM 383 C LEU A 25 -15.585 -1.892 4.635 1.00 0.00 C ATOM 384 O LEU A 25 -15.697 -2.207 5.821 1.00 0.00 O ATOM 385 CB LEU A 25 -13.829 -0.172 4.260 1.00 0.00 C ATOM 386 CG LEU A 25 -13.405 1.296 4.250 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.883 1.421 4.325 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.912 1.952 2.977 1.00 0.00 C ATOM 0 H LEU A 25 -15.859 0.359 6.082 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.681 -0.273 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.417 -0.640 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.371 -0.665 3.402 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.833 1.794 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.604 2.475 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.525 0.958 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.434 0.920 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.613 3.000 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.488 1.443 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.999 1.885 2.941 1.00 0.00 H new ATOM 400 N THR A 26 -15.643 -2.763 3.643 1.00 0.00 N ATOM 401 CA THR A 26 -16.118 -4.127 3.759 1.00 0.00 C ATOM 402 C THR A 26 -15.049 -5.054 4.308 1.00 0.00 C ATOM 403 O THR A 26 -13.860 -4.760 4.291 1.00 0.00 O ATOM 404 CB THR A 26 -16.595 -4.536 2.361 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.617 -4.187 1.394 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.912 -3.824 2.082 1.00 0.00 C ATOM 0 H THR A 26 -15.348 -2.527 2.696 1.00 0.00 H new ATOM 0 HA THR A 26 -16.937 -4.199 4.475 1.00 0.00 H new ATOM 0 HB THR A 26 -16.744 -5.614 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.061 -3.870 0.580 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.272 -4.100 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.649 -4.116 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.759 -2.746 2.125 1.00 0.00 H new ATOM 414 N ASP A 27 -15.463 -6.219 4.801 1.00 0.00 N ATOM 415 CA ASP A 27 -14.547 -7.297 5.124 1.00 0.00 C ATOM 416 C ASP A 27 -13.936 -7.906 3.870 1.00 0.00 C ATOM 417 O ASP A 27 -12.870 -8.499 3.943 1.00 0.00 O ATOM 418 CB ASP A 27 -15.280 -8.330 5.960 1.00 0.00 C ATOM 419 CG ASP A 27 -16.180 -9.310 5.210 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.819 -8.905 4.210 1.00 0.00 O ATOM 421 OD2 ASP A 27 -16.396 -10.419 5.763 1.00 0.00 O ATOM 0 H ASP A 27 -16.442 -6.437 4.986 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.713 -6.902 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.539 -8.906 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.889 -7.803 6.694 1.00 0.00 H new ATOM 426 N ALA A 28 -14.520 -7.633 2.709 1.00 0.00 N ATOM 427 CA ALA A 28 -13.924 -7.945 1.424 1.00 0.00 C ATOM 428 C ALA A 28 -12.564 -7.257 1.209 1.00 0.00 C ATOM 429 O ALA A 28 -11.822 -7.684 0.323 1.00 0.00 O ATOM 430 CB ALA A 28 -14.901 -7.585 0.304 1.00 0.00 C ATOM 0 H ALA A 28 -15.432 -7.183 2.637 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.726 -9.017 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.451 -7.820 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.820 -8.158 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.129 -6.520 0.348 1.00 0.00 H new ATOM 436 N ILE A 29 -12.203 -6.223 1.987 1.00 0.00 N ATOM 437 CA ILE A 29 -10.834 -5.704 1.992 1.00 0.00 C ATOM 438 C ILE A 29 -9.953 -6.507 2.948 1.00 0.00 C ATOM 439 O ILE A 29 -8.774 -6.690 2.693 1.00 0.00 O ATOM 440 CB ILE A 29 -10.786 -4.190 2.315 1.00 0.00 C ATOM 441 CG1 ILE A 29 -10.838 -3.905 3.832 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.816 -3.406 1.479 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.320 -2.516 4.223 1.00 0.00 C ATOM 0 H ILE A 29 -12.840 -5.735 2.616 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.437 -5.822 0.984 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.811 -3.812 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.491 -4.642 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.841 -4.054 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.757 -2.347 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.602 -3.541 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.818 -3.775 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.318 -2.422 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.656 -1.766 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.332 -2.363 3.848 1.00 0.00 H new ATOM 455 N ASN A 30 -10.516 -6.996 4.047 1.00 0.00 N ATOM 456 CA ASN A 30 -9.841 -7.793 5.061 1.00 0.00 C ATOM 457 C ASN A 30 -9.473 -9.156 4.462 1.00 0.00 C ATOM 458 O ASN A 30 -8.451 -9.736 4.835 1.00 0.00 O ATOM 459 CB ASN A 30 -10.823 -7.913 6.237 1.00 0.00 C ATOM 460 CG ASN A 30 -10.199 -8.233 7.578 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.054 -7.901 7.858 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.988 -8.823 8.453 1.00 0.00 N ATOM 0 H ASN A 30 -11.500 -6.840 4.264 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.912 -7.341 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.372 -6.976 6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.552 -8.688 6.001 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.650 -9.016 9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.937 -9.087 8.188 1.00 0.00 H new ATOM 469 N GLU A 31 -10.265 -9.631 3.494 1.00 0.00 N ATOM 470 CA GLU A 31 -9.936 -10.701 2.566 1.00 0.00 C ATOM 471 C GLU A 31 -8.796 -10.311 1.630 1.00 0.00 C ATOM 472 O GLU A 31 -7.940 -11.150 1.370 1.00 0.00 O ATOM 473 CB GLU A 31 -11.147 -11.021 1.674 1.00 0.00 C ATOM 474 CG GLU A 31 -12.055 -12.105 2.237 1.00 0.00 C ATOM 475 CD GLU A 31 -12.853 -11.680 3.468 1.00 0.00 C ATOM 476 OE1 GLU A 31 -14.017 -11.269 3.291 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.413 -11.959 4.614 1.00 0.00 O ATOM 0 H GLU A 31 -11.200 -9.255 3.335 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.644 -11.558 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.730 -10.111 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.791 -11.332 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.750 -12.420 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.448 -12.973 2.494 1.00 0.00 H new ATOM 484 N ASP A 32 -8.807 -9.099 1.072 1.00 0.00 N ATOM 485 CA ASP A 32 -7.803 -8.644 0.110 1.00 0.00 C ATOM 486 C ASP A 32 -6.444 -8.615 0.784 1.00 0.00 C ATOM 487 O ASP A 32 -5.574 -9.398 0.435 1.00 0.00 O ATOM 488 CB ASP A 32 -8.163 -7.270 -0.468 1.00 0.00 C ATOM 489 CG ASP A 32 -7.290 -6.880 -1.636 1.00 0.00 C ATOM 490 OD1 ASP A 32 -6.177 -6.368 -1.425 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.846 -6.996 -2.760 1.00 0.00 O ATOM 0 H ASP A 32 -9.520 -8.399 1.278 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.774 -9.342 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.206 -7.276 -0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.073 -6.517 0.315 1.00 0.00 H new ATOM 496 N PHE A 33 -6.303 -7.821 1.843 1.00 0.00 N ATOM 497 CA PHE A 33 -5.111 -7.699 2.673 1.00 0.00 C ATOM 498 C PHE A 33 -4.629 -9.039 3.235 1.00 0.00 C ATOM 499 O PHE A 33 -3.432 -9.185 3.515 1.00 0.00 O ATOM 500 CB PHE A 33 -5.469 -6.742 3.828 1.00 0.00 C ATOM 501 CG PHE A 33 -5.596 -5.284 3.428 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.514 -4.608 2.834 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.817 -4.611 3.607 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.672 -3.284 2.387 1.00 0.00 C ATOM 505 CE2 PHE A 33 -6.989 -3.308 3.112 1.00 0.00 C ATOM 506 CZ PHE A 33 -5.912 -2.637 2.521 1.00 0.00 C ATOM 0 H PHE A 33 -7.059 -7.214 2.160 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.291 -7.321 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.410 -7.066 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.706 -6.827 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.562 -5.106 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.628 -5.099 4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.838 -2.763 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.952 -2.824 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.034 -1.623 2.169 1.00 0.00 H new ATOM 516 N TYR A 34 -5.526 -10.016 3.391 1.00 0.00 N ATOM 517 CA TYR A 34 -5.171 -11.374 3.765 1.00 0.00 C ATOM 518 C TYR A 34 -4.603 -12.137 2.563 1.00 0.00 C ATOM 519 O TYR A 34 -3.495 -12.665 2.646 1.00 0.00 O ATOM 520 CB TYR A 34 -6.388 -12.073 4.382 1.00 0.00 C ATOM 521 CG TYR A 34 -6.228 -13.564 4.598 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.568 -14.086 5.725 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.754 -14.441 3.640 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.439 -15.480 5.883 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.629 -15.829 3.783 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.981 -16.360 4.916 1.00 0.00 C ATOM 527 OH TYR A 34 -5.862 -17.708 5.039 1.00 0.00 O ATOM 0 H TYR A 34 -6.528 -9.878 3.258 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.384 -11.352 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.610 -11.604 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.250 -11.905 3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.160 -13.418 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.264 -14.040 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.925 -15.879 6.745 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.028 -16.490 3.028 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.298 -18.146 4.278 1.00 0.00 H new ATOM 537 N ASN A 35 -5.352 -12.251 1.466 1.00 0.00 N ATOM 538 CA ASN A 35 -4.990 -13.042 0.287 1.00 0.00 C ATOM 539 C ASN A 35 -3.997 -12.305 -0.608 1.00 0.00 C ATOM 540 O ASN A 35 -3.642 -12.842 -1.645 1.00 0.00 O ATOM 541 CB ASN A 35 -6.228 -13.361 -0.565 1.00 0.00 C ATOM 542 CG ASN A 35 -7.195 -14.315 0.103 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.913 -15.495 0.272 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.344 -13.815 0.512 1.00 0.00 N ATOM 0 H ASN A 35 -6.253 -11.783 1.369 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.537 -13.959 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.749 -12.432 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.905 -13.790 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.023 -14.414 0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.554 -12.829 0.359 1.00 0.00 H new ATOM 551 N PHE A 36 -3.568 -11.090 -0.274 1.00 0.00 N ATOM 552 CA PHE A 36 -2.837 -10.185 -1.154 1.00 0.00 C ATOM 553 C PHE A 36 -1.658 -10.906 -1.838 1.00 0.00 C ATOM 554 O PHE A 36 -1.503 -10.837 -3.059 1.00 0.00 O ATOM 555 CB PHE A 36 -2.430 -8.966 -0.302 1.00 0.00 C ATOM 556 CG PHE A 36 -1.635 -7.882 -0.993 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.273 -7.004 -1.885 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.289 -7.672 -0.655 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.554 -5.951 -2.483 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.415 -6.603 -1.229 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.200 -5.765 -2.164 1.00 0.00 C ATOM 0 H PHE A 36 -3.727 -10.695 0.653 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.452 -9.838 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.337 -8.516 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.848 -9.325 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.320 -7.137 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.203 -8.331 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.042 -5.290 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.442 -6.426 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.365 -4.977 -2.639 1.00 0.00 H new ATOM 571 N TRP A 37 -0.898 -11.694 -1.071 1.00 0.00 N ATOM 572 CA TRP A 37 0.233 -12.496 -1.533 1.00 0.00 C ATOM 573 C TRP A 37 -0.158 -13.860 -2.138 1.00 0.00 C ATOM 574 O TRP A 37 0.609 -14.823 -2.055 1.00 0.00 O ATOM 575 CB TRP A 37 1.247 -12.620 -0.385 1.00 0.00 C ATOM 576 CG TRP A 37 1.756 -11.313 0.147 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.714 -10.907 1.435 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.356 -10.210 -0.598 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.259 -9.642 1.539 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.710 -9.177 0.319 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.610 -9.972 -1.965 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.308 -7.977 -0.103 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.166 -8.762 -2.401 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.520 -7.773 -1.479 1.00 0.00 C ATOM 0 H TRP A 37 -1.063 -11.793 -0.069 1.00 0.00 H new ATOM 0 HA TRP A 37 0.693 -11.975 -2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.784 -13.173 0.432 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.095 -13.211 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.315 -11.483 2.257 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.321 -9.115 2.410 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.371 -10.737 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.599 -7.225 0.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.322 -8.593 -3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.958 -6.848 -1.824 1.00 0.00 H new ATOM 595 N LYS A 38 -1.338 -13.995 -2.747 1.00 0.00 N ATOM 596 CA LYS A 38 -1.704 -15.075 -3.660 1.00 0.00 C ATOM 597 C LYS A 38 -0.830 -14.962 -4.921 1.00 0.00 C ATOM 598 O LYS A 38 0.131 -14.185 -4.949 1.00 0.00 O ATOM 599 CB LYS A 38 -3.216 -14.927 -3.943 1.00 0.00 C ATOM 600 CG LYS A 38 -4.152 -15.919 -3.227 1.00 0.00 C ATOM 601 CD LYS A 38 -3.932 -16.075 -1.707 1.00 0.00 C ATOM 602 CE LYS A 38 -3.302 -17.431 -1.405 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.947 -17.625 0.019 1.00 0.00 N ATOM 0 H LYS A 38 -2.095 -13.325 -2.610 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.529 -16.068 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.517 -13.916 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.373 -15.025 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.182 -15.603 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.038 -16.898 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.287 -15.276 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.883 -15.982 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.994 -18.217 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.404 -17.546 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.525 -18.567 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.263 -16.897 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.803 -17.547 0.604 1.00 0.00 H new ATOM 617 N GLU A 39 -1.141 -15.691 -5.989 1.00 0.00 N ATOM 618 CA GLU A 39 -0.246 -15.838 -7.142 1.00 0.00 C ATOM 619 C GLU A 39 -0.838 -15.316 -8.448 1.00 0.00 C ATOM 620 O GLU A 39 -0.374 -15.632 -9.546 1.00 0.00 O ATOM 621 CB GLU A 39 0.191 -17.302 -7.228 1.00 0.00 C ATOM 622 CG GLU A 39 -0.986 -18.239 -7.546 1.00 0.00 C ATOM 623 CD GLU A 39 -0.563 -19.702 -7.560 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.224 -20.108 -6.674 1.00 0.00 O ATOM 625 OE2 GLU A 39 -1.132 -20.460 -8.385 1.00 0.00 O ATOM 0 H GLU A 39 -2.021 -16.199 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 39 0.629 -15.206 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.956 -17.407 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.646 -17.600 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.773 -18.096 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.408 -17.974 -8.515 1.00 0.00 H new ATOM 632 N GLY A 40 -1.787 -14.403 -8.322 1.00 0.00 N ATOM 633 CA GLY A 40 -2.548 -13.822 -9.419 1.00 0.00 C ATOM 634 C GLY A 40 -3.906 -13.342 -8.924 1.00 0.00 C ATOM 635 O GLY A 40 -4.887 -13.391 -9.665 1.00 0.00 O ATOM 0 H GLY A 40 -2.061 -14.029 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.996 -12.988 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.682 -14.561 -10.209 1.00 0.00 H new ATOM 639 N TYR A 41 -3.980 -12.928 -7.656 1.00 0.00 N ATOM 640 CA TYR A 41 -5.153 -12.252 -7.132 1.00 0.00 C ATOM 641 C TYR A 41 -5.251 -10.920 -7.876 1.00 0.00 C ATOM 642 O TYR A 41 -4.286 -10.149 -7.866 1.00 0.00 O ATOM 643 CB TYR A 41 -4.972 -12.088 -5.611 1.00 0.00 C ATOM 644 CG TYR A 41 -6.088 -11.402 -4.849 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.429 -10.077 -5.161 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.752 -12.060 -3.791 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.492 -9.455 -4.500 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.793 -11.413 -3.096 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.171 -10.104 -3.460 1.00 0.00 C ATOM 650 OH TYR A 41 -9.132 -9.407 -2.800 1.00 0.00 O ATOM 0 H TYR A 41 -3.231 -13.054 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.081 -12.804 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.828 -13.079 -5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.052 -11.529 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.870 -9.538 -5.912 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.461 -13.062 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.794 -8.461 -4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.300 -11.918 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.891 -8.457 -2.778 1.00 0.00 H new ATOM 660 N GLU A 42 -6.394 -10.602 -8.493 1.00 0.00 N ATOM 661 CA GLU A 42 -6.656 -9.246 -8.953 1.00 0.00 C ATOM 662 C GLU A 42 -7.438 -8.466 -7.913 1.00 0.00 C ATOM 663 O GLU A 42 -8.392 -8.958 -7.303 1.00 0.00 O ATOM 664 CB GLU A 42 -7.405 -9.210 -10.285 1.00 0.00 C ATOM 665 CG GLU A 42 -6.436 -9.248 -11.464 1.00 0.00 C ATOM 666 CD GLU A 42 -5.798 -10.618 -11.710 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.530 -11.608 -11.968 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.550 -10.678 -11.731 1.00 0.00 O ATOM 0 H GLU A 42 -7.145 -11.266 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.682 -8.781 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.088 -10.058 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.013 -8.307 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.966 -8.940 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.645 -8.517 -11.293 1.00 0.00 H new ATOM 675 N ILE A 43 -7.031 -7.216 -7.753 1.00 0.00 N ATOM 676 CA ILE A 43 -7.585 -6.265 -6.809 1.00 0.00 C ATOM 677 C ILE A 43 -8.377 -5.301 -7.672 1.00 0.00 C ATOM 678 O ILE A 43 -7.788 -4.632 -8.524 1.00 0.00 O ATOM 679 CB ILE A 43 -6.453 -5.559 -6.028 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.534 -6.580 -5.328 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.032 -4.569 -5.006 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.461 -5.971 -4.443 1.00 0.00 C ATOM 0 H ILE A 43 -6.270 -6.821 -8.305 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.214 -6.729 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.852 -5.003 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.149 -7.246 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.052 -7.195 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.218 -4.084 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.624 -3.815 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.666 -5.105 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.865 -6.766 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.816 -5.329 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.930 -5.381 -3.656 1.00 0.00 H new ATOM 694 N LYS A 44 -9.699 -5.250 -7.502 1.00 0.00 N ATOM 695 CA LYS A 44 -10.556 -4.329 -8.245 1.00 0.00 C ATOM 696 C LYS A 44 -11.430 -3.494 -7.312 1.00 0.00 C ATOM 697 O LYS A 44 -12.009 -2.503 -7.771 1.00 0.00 O ATOM 698 CB LYS A 44 -11.427 -5.100 -9.258 1.00 0.00 C ATOM 699 CG LYS A 44 -10.692 -6.001 -10.258 1.00 0.00 C ATOM 700 CD LYS A 44 -9.711 -5.230 -11.148 1.00 0.00 C ATOM 701 CE LYS A 44 -9.614 -5.911 -12.508 1.00 0.00 C ATOM 702 NZ LYS A 44 -8.525 -5.359 -13.336 1.00 0.00 N ATOM 0 H LYS A 44 -10.204 -5.846 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.908 -3.642 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.132 -5.716 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.014 -4.375 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.150 -6.773 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.423 -6.509 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.046 -4.200 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.729 -5.193 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.453 -6.980 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.561 -5.799 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.499 -5.854 -14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.690 -4.345 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.617 -5.489 -12.846 1.00 0.00 H new ATOM 716 N ASN A 45 -11.550 -3.857 -6.028 1.00 0.00 N ATOM 717 CA ASN A 45 -12.459 -3.164 -5.122 1.00 0.00 C ATOM 718 C ASN A 45 -11.941 -1.754 -4.864 1.00 0.00 C ATOM 719 O ASN A 45 -10.855 -1.579 -4.312 1.00 0.00 O ATOM 720 CB ASN A 45 -12.660 -3.933 -3.804 1.00 0.00 C ATOM 721 CG ASN A 45 -13.895 -3.428 -3.063 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.413 -2.358 -3.367 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.401 -4.154 -2.086 1.00 0.00 N ATOM 0 H ASN A 45 -11.030 -4.623 -5.600 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.438 -3.106 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.765 -4.998 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.779 -3.817 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.225 -3.827 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.969 -5.043 -1.835 1.00 0.00 H new ATOM 730 N ARG A 46 -12.732 -0.728 -5.193 1.00 0.00 N ATOM 731 CA ARG A 46 -12.451 0.648 -4.840 1.00 0.00 C ATOM 732 C ARG A 46 -12.236 0.764 -3.328 1.00 0.00 C ATOM 733 O ARG A 46 -11.475 1.625 -2.879 1.00 0.00 O ATOM 734 CB ARG A 46 -13.666 1.465 -5.321 1.00 0.00 C ATOM 735 CG ARG A 46 -13.588 2.924 -4.899 1.00 0.00 C ATOM 736 CD ARG A 46 -14.808 3.757 -5.319 1.00 0.00 C ATOM 737 NE ARG A 46 -14.505 5.193 -5.220 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.023 6.132 -4.421 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.076 5.906 -3.646 1.00 0.00 N ATOM 740 NH2 ARG A 46 -14.448 7.321 -4.402 1.00 0.00 N ATOM 0 H ARG A 46 -13.597 -0.843 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.539 1.021 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.732 1.407 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.579 1.023 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.481 2.974 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.691 3.369 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.092 3.508 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.659 3.513 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.786 5.525 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.521 4.988 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.440 6.650 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.632 7.502 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.820 8.058 -3.803 1.00 0.00 H new ATOM 754 N GLU A 47 -12.901 -0.088 -2.544 1.00 0.00 N ATOM 755 CA GLU A 47 -12.821 -0.038 -1.096 1.00 0.00 C ATOM 756 C GLU A 47 -11.406 -0.352 -0.617 1.00 0.00 C ATOM 757 O GLU A 47 -10.952 0.317 0.310 1.00 0.00 O ATOM 758 CB GLU A 47 -13.858 -0.951 -0.424 1.00 0.00 C ATOM 759 CG GLU A 47 -15.304 -0.559 -0.769 1.00 0.00 C ATOM 760 CD GLU A 47 -16.302 -1.545 -0.163 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.407 -2.696 -0.657 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.942 -1.183 0.848 1.00 0.00 O ATOM 0 H GLU A 47 -13.506 -0.827 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.062 0.981 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.682 -1.982 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.723 -0.913 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.510 0.445 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.428 -0.531 -1.852 1.00 0.00 H new ATOM 769 N THR A 48 -10.690 -1.292 -1.249 1.00 0.00 N ATOM 770 CA THR A 48 -9.317 -1.585 -0.856 1.00 0.00 C ATOM 771 C THR A 48 -8.434 -0.386 -1.208 1.00 0.00 C ATOM 772 O THR A 48 -7.678 0.093 -0.367 1.00 0.00 O ATOM 773 CB THR A 48 -8.790 -2.898 -1.445 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.621 -2.827 -2.847 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.636 -4.126 -1.161 1.00 0.00 C ATOM 0 H THR A 48 -11.039 -1.854 -2.025 1.00 0.00 H new ATOM 0 HA THR A 48 -9.292 -1.741 0.222 1.00 0.00 H new ATOM 0 HB THR A 48 -7.836 -3.018 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.414 -2.417 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.175 -5.000 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.706 -4.278 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.635 -3.983 -1.573 1.00 0.00 H new ATOM 783 N GLY A 49 -8.611 0.168 -2.411 1.00 0.00 N ATOM 784 CA GLY A 49 -7.903 1.345 -2.883 1.00 0.00 C ATOM 785 C GLY A 49 -7.991 2.505 -1.895 1.00 0.00 C ATOM 786 O GLY A 49 -6.994 3.169 -1.600 1.00 0.00 O ATOM 0 H GLY A 49 -9.269 -0.205 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.856 1.093 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.316 1.655 -3.843 1.00 0.00 H new ATOM 790 N CYS A 50 -9.199 2.763 -1.387 1.00 0.00 N ATOM 791 CA CYS A 50 -9.403 3.802 -0.397 1.00 0.00 C ATOM 792 C CYS A 50 -8.900 3.397 0.991 1.00 0.00 C ATOM 793 O CYS A 50 -8.413 4.263 1.712 1.00 0.00 O ATOM 794 CB CYS A 50 -10.867 4.246 -0.355 1.00 0.00 C ATOM 795 SG CYS A 50 -11.024 6.005 -0.732 1.00 0.00 S ATOM 0 H CYS A 50 -10.047 2.261 -1.651 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.801 4.656 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.447 3.664 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.283 4.044 0.632 1.00 0.00 H new ATOM 800 N ALA A 51 -8.985 2.123 1.383 1.00 0.00 N ATOM 801 CA ALA A 51 -8.413 1.655 2.641 1.00 0.00 C ATOM 802 C ALA A 51 -6.918 1.956 2.671 1.00 0.00 C ATOM 803 O ALA A 51 -6.431 2.545 3.632 1.00 0.00 O ATOM 804 CB ALA A 51 -8.643 0.153 2.829 1.00 0.00 C ATOM 0 H ALA A 51 -9.449 1.395 0.840 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.910 2.180 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.206 -0.166 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.713 -0.053 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.174 -0.392 2.010 1.00 0.00 H new ATOM 810 N ILE A 52 -6.210 1.592 1.601 1.00 0.00 N ATOM 811 CA ILE A 52 -4.788 1.831 1.408 1.00 0.00 C ATOM 812 C ILE A 52 -4.508 3.327 1.596 1.00 0.00 C ATOM 813 O ILE A 52 -3.675 3.684 2.427 1.00 0.00 O ATOM 814 CB ILE A 52 -4.360 1.237 0.040 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.441 -0.305 0.127 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.934 1.623 -0.370 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.196 -1.064 -1.176 1.00 0.00 C ATOM 0 H ILE A 52 -6.635 1.102 0.814 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.173 1.323 2.151 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.036 1.644 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.715 -0.646 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.428 -0.576 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.699 1.175 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.858 2.708 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.230 1.261 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.278 -2.136 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.937 -0.764 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.198 -0.835 -1.548 1.00 0.00 H new ATOM 829 N MET A 53 -5.248 4.204 0.909 1.00 0.00 N ATOM 830 CA MET A 53 -5.106 5.649 1.048 1.00 0.00 C ATOM 831 C MET A 53 -5.317 6.116 2.493 1.00 0.00 C ATOM 832 O MET A 53 -4.560 6.942 3.001 1.00 0.00 O ATOM 833 CB MET A 53 -6.128 6.324 0.129 1.00 0.00 C ATOM 834 CG MET A 53 -5.913 7.835 -0.015 1.00 0.00 C ATOM 835 SD MET A 53 -7.416 8.838 -0.156 1.00 0.00 S ATOM 836 CE MET A 53 -8.322 7.820 -1.330 1.00 0.00 C ATOM 0 H MET A 53 -5.965 3.925 0.239 1.00 0.00 H new ATOM 0 HA MET A 53 -4.089 5.925 0.770 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.080 5.862 -0.857 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.130 6.142 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.345 8.185 0.847 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.297 8.012 -0.896 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.161 8.388 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.659 7.526 -2.144 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.695 6.928 -0.826 1.00 0.00 H new ATOM 846 N CYS A 54 -6.346 5.603 3.170 1.00 0.00 N ATOM 847 CA CYS A 54 -6.632 5.957 4.550 1.00 0.00 C ATOM 848 C CYS A 54 -5.451 5.582 5.440 1.00 0.00 C ATOM 849 O CYS A 54 -4.985 6.416 6.212 1.00 0.00 O ATOM 850 CB CYS A 54 -7.931 5.299 5.014 1.00 0.00 C ATOM 851 SG CYS A 54 -8.376 5.715 6.717 1.00 0.00 S ATOM 0 H CYS A 54 -7.001 4.931 2.771 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.774 7.035 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.741 5.602 4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.834 4.217 4.925 1.00 0.00 H new ATOM 856 N LEU A 55 -4.932 4.362 5.308 1.00 0.00 N ATOM 857 CA LEU A 55 -3.760 3.910 6.045 1.00 0.00 C ATOM 858 C LEU A 55 -2.562 4.822 5.751 1.00 0.00 C ATOM 859 O LEU A 55 -1.861 5.210 6.685 1.00 0.00 O ATOM 860 CB LEU A 55 -3.457 2.440 5.719 1.00 0.00 C ATOM 861 CG LEU A 55 -4.531 1.432 6.180 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.178 0.038 5.653 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.690 1.393 7.704 1.00 0.00 C ATOM 0 H LEU A 55 -5.318 3.656 4.681 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.964 3.971 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.328 2.342 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.507 2.170 6.179 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.487 1.760 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.935 -0.676 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.142 0.059 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.205 -0.263 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.458 0.667 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.744 1.105 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.982 2.379 8.065 1.00 0.00 H new ATOM 875 N SER A 56 -2.354 5.238 4.495 1.00 0.00 N ATOM 876 CA SER A 56 -1.346 6.235 4.152 1.00 0.00 C ATOM 877 C SER A 56 -1.561 7.547 4.923 1.00 0.00 C ATOM 878 O SER A 56 -0.633 7.984 5.607 1.00 0.00 O ATOM 879 CB SER A 56 -1.259 6.429 2.629 1.00 0.00 C ATOM 880 OG SER A 56 -0.778 5.244 2.005 1.00 0.00 O ATOM 0 H SER A 56 -2.881 4.891 3.694 1.00 0.00 H new ATOM 0 HA SER A 56 -0.373 5.862 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.242 6.684 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.596 7.263 2.399 1.00 0.00 H new ATOM 0 HG SER A 56 -0.729 5.381 1.036 1.00 0.00 H new ATOM 886 N THR A 57 -2.757 8.148 4.919 1.00 0.00 N ATOM 887 CA THR A 57 -3.060 9.295 5.783 1.00 0.00 C ATOM 888 C THR A 57 -2.677 9.010 7.240 1.00 0.00 C ATOM 889 O THR A 57 -2.053 9.836 7.916 1.00 0.00 O ATOM 890 CB THR A 57 -4.554 9.667 5.695 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.792 10.391 4.510 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.041 10.479 6.896 1.00 0.00 C ATOM 0 H THR A 57 -3.533 7.857 4.325 1.00 0.00 H new ATOM 0 HA THR A 57 -2.465 10.137 5.430 1.00 0.00 H new ATOM 0 HB THR A 57 -5.114 8.732 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.742 10.625 4.455 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.099 10.709 6.774 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.898 9.900 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.473 11.407 6.962 1.00 0.00 H new ATOM 900 N LYS A 58 -3.100 7.859 7.759 1.00 0.00 N ATOM 901 CA LYS A 58 -2.927 7.518 9.157 1.00 0.00 C ATOM 902 C LYS A 58 -1.462 7.326 9.535 1.00 0.00 C ATOM 903 O LYS A 58 -1.165 7.267 10.729 1.00 0.00 O ATOM 904 CB LYS A 58 -3.776 6.309 9.503 1.00 0.00 C ATOM 905 CG LYS A 58 -5.279 6.669 9.425 1.00 0.00 C ATOM 906 CD LYS A 58 -6.023 6.175 10.656 1.00 0.00 C ATOM 907 CE LYS A 58 -7.486 6.633 10.682 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.666 7.873 11.467 1.00 0.00 N ATOM 0 H LYS A 58 -3.573 7.138 7.214 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.272 8.361 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.555 5.492 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.530 5.958 10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.394 7.749 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.716 6.227 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.986 5.086 10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.517 6.536 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.832 6.797 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.105 5.843 11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.669 8.147 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.360 7.711 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.096 8.635 11.048 1.00 0.00 H new ATOM 922 N LEU A 59 -0.554 7.262 8.561 1.00 0.00 N ATOM 923 CA LEU A 59 0.883 7.155 8.774 1.00 0.00 C ATOM 924 C LEU A 59 1.593 8.412 8.261 1.00 0.00 C ATOM 925 O LEU A 59 2.794 8.385 7.979 1.00 0.00 O ATOM 926 CB LEU A 59 1.416 5.878 8.110 1.00 0.00 C ATOM 927 CG LEU A 59 0.741 4.619 8.697 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.995 3.420 7.798 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.212 4.339 10.130 1.00 0.00 C ATOM 0 H LEU A 59 -0.809 7.284 7.574 1.00 0.00 H new ATOM 0 HA LEU A 59 1.089 7.083 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.237 5.922 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.495 5.815 8.251 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.332 4.803 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.514 2.539 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.585 3.615 6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.068 3.245 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.715 3.446 10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.291 4.183 10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.965 5.189 10.767 1.00 0.00 H new ATOM 941 N ASN A 60 0.839 9.507 8.104 1.00 0.00 N ATOM 942 CA ASN A 60 1.256 10.800 7.586 1.00 0.00 C ATOM 943 C ASN A 60 2.058 10.609 6.297 1.00 0.00 C ATOM 944 O ASN A 60 3.168 11.115 6.149 1.00 0.00 O ATOM 945 CB ASN A 60 1.929 11.613 8.701 1.00 0.00 C ATOM 946 CG ASN A 60 2.227 13.053 8.312 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.381 13.928 8.492 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.419 13.332 7.823 1.00 0.00 N ATOM 0 H ASN A 60 -0.149 9.504 8.356 1.00 0.00 H new ATOM 0 HA ASN A 60 0.405 11.410 7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.285 11.609 9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.860 11.122 8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.660 14.294 7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.101 12.586 7.684 1.00 0.00 H new ATOM 955 N MET A 61 1.523 9.800 5.378 1.00 0.00 N ATOM 956 CA MET A 61 2.128 9.568 4.069 1.00 0.00 C ATOM 957 C MET A 61 1.481 10.441 2.997 1.00 0.00 C ATOM 958 O MET A 61 1.767 10.229 1.825 1.00 0.00 O ATOM 959 CB MET A 61 2.155 8.076 3.669 1.00 0.00 C ATOM 960 CG MET A 61 3.341 7.341 4.292 1.00 0.00 C ATOM 961 SD MET A 61 3.730 5.745 3.533 1.00 0.00 S ATOM 962 CE MET A 61 2.501 4.703 4.348 1.00 0.00 C ATOM 0 H MET A 61 0.654 9.287 5.525 1.00 0.00 H new ATOM 0 HA MET A 61 3.173 9.867 4.152 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.227 7.599 3.983 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.205 7.992 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.221 7.981 4.229 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.137 7.183 5.351 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.001 4.017 5.032 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.806 5.330 4.907 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.953 4.132 3.598 1.00 0.00 H new ATOM 972 N LEU A 62 0.638 11.420 3.346 1.00 0.00 N ATOM 973 CA LEU A 62 0.153 12.409 2.394 1.00 0.00 C ATOM 974 C LEU A 62 0.687 13.771 2.808 1.00 0.00 C ATOM 975 O LEU A 62 0.273 14.328 3.830 1.00 0.00 O ATOM 976 CB LEU A 62 -1.373 12.372 2.221 1.00 0.00 C ATOM 977 CG LEU A 62 -1.883 11.082 1.545 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.408 11.143 1.437 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.320 10.872 0.134 1.00 0.00 C ATOM 0 H LEU A 62 0.278 11.543 4.292 1.00 0.00 H new ATOM 0 HA LEU A 62 0.531 12.174 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.844 12.472 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.685 13.232 1.628 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.547 10.252 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.776 10.234 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.840 11.230 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.696 12.008 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.719 9.947 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.607 11.710 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.233 10.809 0.182 1.00 0.00 H new ATOM 1053 N LEU A 68 1.991 11.874 -2.248 1.00 0.00 N ATOM 1054 CA LEU A 68 2.644 10.917 -1.351 1.00 0.00 C ATOM 1055 C LEU A 68 3.880 11.541 -0.721 1.00 0.00 C ATOM 1056 O LEU A 68 4.780 11.994 -1.424 1.00 0.00 O ATOM 1057 CB LEU A 68 3.002 9.604 -2.059 1.00 0.00 C ATOM 1058 CG LEU A 68 3.169 8.420 -1.082 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.585 7.149 -1.702 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.611 8.117 -0.695 1.00 0.00 C ATOM 0 HA LEU A 68 1.929 10.670 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.224 9.364 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.927 9.740 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 68 2.642 8.723 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.706 6.317 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.525 7.299 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.107 6.925 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.633 7.272 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.184 7.872 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.049 8.990 -0.211 1.00 0.00 H new ATOM 1072 N HIS A 69 3.933 11.555 0.607 1.00 0.00 N ATOM 1073 CA HIS A 69 5.068 12.039 1.367 1.00 0.00 C ATOM 1074 C HIS A 69 6.176 10.988 1.338 1.00 0.00 C ATOM 1075 O HIS A 69 6.315 10.177 2.253 1.00 0.00 O ATOM 1076 CB HIS A 69 4.631 12.409 2.789 1.00 0.00 C ATOM 1077 CG HIS A 69 5.660 13.181 3.570 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.024 13.096 3.425 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.406 14.123 4.527 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.589 13.904 4.328 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.642 14.534 5.048 1.00 0.00 N ATOM 0 H HIS A 69 3.168 11.221 1.193 1.00 0.00 H new ATOM 0 HA HIS A 69 5.468 12.949 0.919 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.716 12.998 2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.389 11.495 3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.433 14.484 4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.653 14.033 4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.793 15.183 5.820 1.00 0.00 H new ATOM 1089 N HIS A 70 6.984 11.015 0.283 1.00 0.00 N ATOM 1090 CA HIS A 70 8.074 10.080 0.040 1.00 0.00 C ATOM 1091 C HIS A 70 9.080 10.026 1.185 1.00 0.00 C ATOM 1092 O HIS A 70 9.634 8.959 1.464 1.00 0.00 O ATOM 1093 CB HIS A 70 8.761 10.486 -1.261 1.00 0.00 C ATOM 1094 CG HIS A 70 7.841 10.262 -2.434 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.278 11.212 -3.257 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.262 9.062 -2.743 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.388 10.586 -4.051 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.363 9.270 -3.780 1.00 0.00 N ATOM 0 H HIS A 70 6.893 11.715 -0.453 1.00 0.00 H new ATOM 0 HA HIS A 70 7.658 9.075 -0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.052 11.536 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.676 9.908 -1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.468 8.117 -2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.780 11.073 -4.800 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.795 8.562 -4.245 1.00 0.00 H new ATOM 1106 N GLY A 71 9.314 11.153 1.853 1.00 0.00 N ATOM 1107 CA GLY A 71 10.123 11.224 3.054 1.00 0.00 C ATOM 1108 C GLY A 71 9.576 10.281 4.127 1.00 0.00 C ATOM 1109 O GLY A 71 10.231 9.309 4.504 1.00 0.00 O ATOM 0 H GLY A 71 8.937 12.056 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.154 10.959 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.134 12.246 3.432 1.00 0.00 H new ATOM 1113 N ASN A 72 8.342 10.530 4.575 1.00 0.00 N ATOM 1114 CA ASN A 72 7.688 9.777 5.645 1.00 0.00 C ATOM 1115 C ASN A 72 7.402 8.328 5.254 1.00 0.00 C ATOM 1116 O ASN A 72 7.286 7.467 6.126 1.00 0.00 O ATOM 1117 CB ASN A 72 6.390 10.495 6.061 1.00 0.00 C ATOM 1118 CG ASN A 72 6.242 10.579 7.573 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.158 11.015 8.271 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.089 10.248 8.116 1.00 0.00 N ATOM 0 H ASN A 72 7.759 11.276 4.195 1.00 0.00 H new ATOM 0 HA ASN A 72 8.375 9.739 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.381 11.500 5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.534 9.967 5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.950 10.352 9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.335 9.888 7.532 1.00 0.00 H new ATOM 1127 N ALA A 73 7.290 8.055 3.954 1.00 0.00 N ATOM 1128 CA ALA A 73 7.174 6.722 3.392 1.00 0.00 C ATOM 1129 C ALA A 73 8.483 5.948 3.561 1.00 0.00 C ATOM 1130 O ALA A 73 8.474 4.827 4.073 1.00 0.00 O ATOM 1131 CB ALA A 73 6.763 6.842 1.925 1.00 0.00 C ATOM 0 H ALA A 73 7.278 8.787 3.243 1.00 0.00 H new ATOM 0 HA ALA A 73 6.408 6.157 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.672 5.847 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.805 7.357 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.519 7.408 1.381 1.00 0.00 H new ATOM 1137 N MET A 74 9.613 6.537 3.154 1.00 0.00 N ATOM 1138 CA MET A 74 10.925 5.935 3.320 1.00 0.00 C ATOM 1139 C MET A 74 11.263 5.754 4.799 1.00 0.00 C ATOM 1140 O MET A 74 11.848 4.734 5.157 1.00 0.00 O ATOM 1141 CB MET A 74 11.988 6.775 2.600 1.00 0.00 C ATOM 1142 CG MET A 74 13.357 6.100 2.753 1.00 0.00 C ATOM 1143 SD MET A 74 14.581 6.458 1.478 1.00 0.00 S ATOM 1144 CE MET A 74 13.870 5.490 0.127 1.00 0.00 C ATOM 0 H MET A 74 9.635 7.449 2.699 1.00 0.00 H new ATOM 0 HA MET A 74 10.912 4.943 2.868 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.735 6.875 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.017 7.781 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.774 6.391 3.717 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.203 5.021 2.784 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.641 4.858 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.064 4.865 0.512 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.475 6.163 -0.634 1.00 0.00 H new ATOM 1154 N GLU A 75 10.870 6.686 5.668 1.00 0.00 N ATOM 1155 CA GLU A 75 11.082 6.578 7.090 1.00 0.00 C ATOM 1156 C GLU A 75 10.392 5.332 7.625 1.00 0.00 C ATOM 1157 O GLU A 75 11.022 4.540 8.316 1.00 0.00 O ATOM 1158 CB GLU A 75 10.565 7.865 7.757 1.00 0.00 C ATOM 1159 CG GLU A 75 11.537 8.345 8.832 1.00 0.00 C ATOM 1160 CD GLU A 75 10.909 8.362 10.223 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.200 9.349 10.522 1.00 0.00 O ATOM 1162 OE2 GLU A 75 11.131 7.449 11.049 1.00 0.00 O ATOM 0 H GLU A 75 10.391 7.542 5.389 1.00 0.00 H new ATOM 0 HA GLU A 75 12.143 6.474 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.434 8.643 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.586 7.683 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.413 7.697 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.884 9.347 8.582 1.00 0.00 H new ATOM 1169 N PHE A 76 9.138 5.098 7.230 1.00 0.00 N ATOM 1170 CA PHE A 76 8.411 3.891 7.587 1.00 0.00 C ATOM 1171 C PHE A 76 9.173 2.639 7.143 1.00 0.00 C ATOM 1172 O PHE A 76 9.198 1.644 7.864 1.00 0.00 O ATOM 1173 CB PHE A 76 7.035 3.917 6.918 1.00 0.00 C ATOM 1174 CG PHE A 76 6.048 2.939 7.521 1.00 0.00 C ATOM 1175 CD1 PHE A 76 6.003 1.619 7.040 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.189 3.329 8.561 1.00 0.00 C ATOM 1177 CE1 PHE A 76 5.088 0.694 7.574 1.00 0.00 C ATOM 1178 CE2 PHE A 76 4.279 2.400 9.099 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.218 1.089 8.600 1.00 0.00 C ATOM 0 H PHE A 76 8.602 5.746 6.652 1.00 0.00 H new ATOM 0 HA PHE A 76 8.301 3.858 8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.625 4.924 6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.152 3.695 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.677 1.312 6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.226 4.337 8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.056 -0.317 7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.622 2.698 9.903 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.504 0.388 9.005 1.00 0.00 H new ATOM 1189 N ALA A 77 9.775 2.676 5.955 1.00 0.00 N ATOM 1190 CA ALA A 77 10.536 1.573 5.406 1.00 0.00 C ATOM 1191 C ALA A 77 11.769 1.281 6.273 1.00 0.00 C ATOM 1192 O ALA A 77 11.927 0.164 6.772 1.00 0.00 O ATOM 1193 CB ALA A 77 10.860 1.876 3.943 1.00 0.00 C ATOM 0 H ALA A 77 9.742 3.491 5.343 1.00 0.00 H new ATOM 0 HA ALA A 77 9.951 0.653 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.433 1.052 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.933 1.999 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.445 2.794 3.882 1.00 0.00 H new ATOM 1199 N LYS A 78 12.634 2.275 6.499 1.00 0.00 N ATOM 1200 CA LYS A 78 13.845 2.109 7.297 1.00 0.00 C ATOM 1201 C LYS A 78 13.528 1.817 8.765 1.00 0.00 C ATOM 1202 O LYS A 78 14.274 1.077 9.407 1.00 0.00 O ATOM 1203 CB LYS A 78 14.717 3.365 7.162 1.00 0.00 C ATOM 1204 CG LYS A 78 15.787 3.230 6.065 1.00 0.00 C ATOM 1205 CD LYS A 78 15.380 3.788 4.691 1.00 0.00 C ATOM 1206 CE LYS A 78 16.384 4.838 4.186 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.428 6.054 5.027 1.00 0.00 N ATOM 0 H LYS A 78 12.510 3.218 6.131 1.00 0.00 H new ATOM 0 HA LYS A 78 14.391 1.245 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.081 4.222 6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.204 3.568 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.691 3.741 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.040 2.176 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.313 2.972 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.388 4.235 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.378 4.393 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.124 5.119 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.947 6.804 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.459 6.375 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.910 5.839 5.923 1.00 0.00 H new ATOM 1221 N LYS A 79 12.399 2.304 9.279 1.00 0.00 N ATOM 1222 CA LYS A 79 11.849 1.962 10.588 1.00 0.00 C ATOM 1223 C LYS A 79 11.675 0.457 10.742 1.00 0.00 C ATOM 1224 O LYS A 79 12.007 -0.085 11.793 1.00 0.00 O ATOM 1225 CB LYS A 79 10.546 2.743 10.765 1.00 0.00 C ATOM 1226 CG LYS A 79 9.737 2.375 12.008 1.00 0.00 C ATOM 1227 CD LYS A 79 8.681 3.446 12.290 1.00 0.00 C ATOM 1228 CE LYS A 79 7.403 3.173 11.498 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.357 4.164 11.807 1.00 0.00 N ATOM 0 H LYS A 79 11.820 2.975 8.773 1.00 0.00 H new ATOM 0 HA LYS A 79 12.539 2.247 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.780 3.807 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.923 2.586 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.255 1.408 11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.401 2.275 12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.455 3.468 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.074 4.428 12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.623 3.195 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.037 2.172 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.698 4.235 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.837 3.867 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.796 5.091 11.977 1.00 0.00 H new ATOM 1243 N HIS A 80 11.183 -0.222 9.709 1.00 0.00 N ATOM 1244 CA HIS A 80 11.059 -1.677 9.693 1.00 0.00 C ATOM 1245 C HIS A 80 12.399 -2.370 9.402 1.00 0.00 C ATOM 1246 O HIS A 80 12.489 -3.596 9.462 1.00 0.00 O ATOM 1247 CB HIS A 80 9.986 -2.061 8.669 1.00 0.00 C ATOM 1248 CG HIS A 80 8.616 -1.654 9.130 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.178 -0.382 9.409 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.597 -2.508 9.415 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.940 -0.472 9.909 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.553 -1.756 9.947 1.00 0.00 N ATOM 0 H HIS A 80 10.857 0.226 8.853 1.00 0.00 H new ATOM 0 HA HIS A 80 10.759 -2.021 10.683 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.206 -1.585 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.010 -3.138 8.501 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.704 0.479 9.261 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.597 -3.576 9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.341 0.366 10.234 1.00 0.00 H new ATOM 1260 N GLY A 81 13.458 -1.616 9.102 1.00 0.00 N ATOM 1261 CA GLY A 81 14.755 -2.147 8.724 1.00 0.00 C ATOM 1262 C GLY A 81 14.767 -2.633 7.280 1.00 0.00 C ATOM 1263 O GLY A 81 15.530 -3.541 6.953 1.00 0.00 O ATOM 0 H GLY A 81 13.430 -0.597 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.515 -1.377 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.018 -2.971 9.387 1.00 0.00 H new ATOM 1267 N ALA A 82 13.943 -2.052 6.407 1.00 0.00 N ATOM 1268 CA ALA A 82 14.109 -2.228 4.976 1.00 0.00 C ATOM 1269 C ALA A 82 15.422 -1.571 4.547 1.00 0.00 C ATOM 1270 O ALA A 82 15.742 -0.485 5.034 1.00 0.00 O ATOM 1271 CB ALA A 82 12.913 -1.601 4.267 1.00 0.00 C ATOM 0 H ALA A 82 13.157 -1.458 6.672 1.00 0.00 H new ATOM 0 HA ALA A 82 14.153 -3.285 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.023 -1.725 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.997 -2.090 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.864 -0.539 4.507 1.00 0.00 H new ATOM 1277 N ASP A 83 16.157 -2.216 3.635 1.00 0.00 N ATOM 1278 CA ASP A 83 17.436 -1.696 3.151 1.00 0.00 C ATOM 1279 C ASP A 83 17.214 -0.392 2.407 1.00 0.00 C ATOM 1280 O ASP A 83 16.118 -0.138 1.902 1.00 0.00 O ATOM 1281 CB ASP A 83 18.159 -2.640 2.188 1.00 0.00 C ATOM 1282 CG ASP A 83 18.239 -4.073 2.675 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.206 -4.371 3.412 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.361 -4.880 2.299 1.00 0.00 O ATOM 0 H ASP A 83 15.884 -3.105 3.216 1.00 0.00 H new ATOM 0 HA ASP A 83 18.054 -1.568 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.648 -2.622 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.169 -2.267 2.020 1.00 0.00 H new ATOM 1289 N GLU A 84 18.281 0.383 2.223 1.00 0.00 N ATOM 1290 CA GLU A 84 18.201 1.637 1.512 1.00 0.00 C ATOM 1291 C GLU A 84 17.746 1.434 0.077 1.00 0.00 C ATOM 1292 O GLU A 84 16.750 2.028 -0.315 1.00 0.00 O ATOM 1293 CB GLU A 84 19.536 2.382 1.576 1.00 0.00 C ATOM 1294 CG GLU A 84 19.183 3.865 1.641 1.00 0.00 C ATOM 1295 CD GLU A 84 20.386 4.773 1.844 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.153 4.524 2.805 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.470 5.803 1.134 1.00 0.00 O ATOM 0 H GLU A 84 19.215 0.153 2.564 1.00 0.00 H new ATOM 0 HA GLU A 84 17.449 2.254 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.111 2.079 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.148 2.164 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.676 4.149 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.477 4.026 2.455 1.00 0.00 H new ATOM 1304 N THR A 85 18.416 0.572 -0.692 1.00 0.00 N ATOM 1305 CA THR A 85 18.038 0.329 -2.080 1.00 0.00 C ATOM 1306 C THR A 85 16.641 -0.268 -2.163 1.00 0.00 C ATOM 1307 O THR A 85 15.904 0.063 -3.083 1.00 0.00 O ATOM 1308 CB THR A 85 19.075 -0.573 -2.757 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.317 0.099 -2.706 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.725 -0.869 -4.218 1.00 0.00 C ATOM 0 H THR A 85 19.222 0.033 -0.374 1.00 0.00 H new ATOM 0 HA THR A 85 18.017 1.280 -2.611 1.00 0.00 H new ATOM 0 HB THR A 85 19.104 -1.529 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.006 -0.454 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.491 -1.512 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.759 -1.372 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.676 0.066 -4.777 1.00 0.00 H new ATOM 1318 N MET A 86 16.259 -1.099 -1.194 1.00 0.00 N ATOM 1319 CA MET A 86 14.923 -1.649 -1.116 1.00 0.00 C ATOM 1320 C MET A 86 13.918 -0.509 -0.997 1.00 0.00 C ATOM 1321 O MET A 86 13.036 -0.377 -1.835 1.00 0.00 O ATOM 1322 CB MET A 86 14.880 -2.663 0.037 1.00 0.00 C ATOM 1323 CG MET A 86 13.504 -2.857 0.667 1.00 0.00 C ATOM 1324 SD MET A 86 13.403 -4.286 1.787 1.00 0.00 S ATOM 1325 CE MET A 86 11.605 -4.431 1.942 1.00 0.00 C ATOM 0 H MET A 86 16.876 -1.406 -0.442 1.00 0.00 H new ATOM 0 HA MET A 86 14.648 -2.194 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.235 -3.626 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.577 -2.341 0.811 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.237 -1.956 1.219 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.765 -2.976 -0.126 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.352 -4.757 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.144 -3.463 1.747 1.00 0.00 H new ATOM 0 HE3 MET A 86 11.235 -5.161 1.222 1.00 0.00 H new ATOM 1335 N ALA A 87 14.038 0.332 0.024 1.00 0.00 N ATOM 1336 CA ALA A 87 13.134 1.450 0.229 1.00 0.00 C ATOM 1337 C ALA A 87 13.190 2.443 -0.930 1.00 0.00 C ATOM 1338 O ALA A 87 12.156 3.018 -1.270 1.00 0.00 O ATOM 1339 CB ALA A 87 13.434 2.048 1.593 1.00 0.00 C ATOM 0 H ALA A 87 14.768 0.255 0.733 1.00 0.00 H new ATOM 0 HA ALA A 87 12.096 1.118 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.768 2.892 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.280 1.292 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.469 2.389 1.621 1.00 0.00 H new ATOM 1345 N GLN A 88 14.357 2.620 -1.552 1.00 0.00 N ATOM 1346 CA GLN A 88 14.508 3.423 -2.748 1.00 0.00 C ATOM 1347 C GLN A 88 13.655 2.829 -3.859 1.00 0.00 C ATOM 1348 O GLN A 88 12.932 3.585 -4.491 1.00 0.00 O ATOM 1349 CB GLN A 88 15.989 3.547 -3.152 1.00 0.00 C ATOM 1350 CG GLN A 88 16.261 4.819 -3.964 1.00 0.00 C ATOM 1351 CD GLN A 88 16.115 6.064 -3.089 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.977 6.360 -2.261 1.00 0.00 O ATOM 1353 NE2 GLN A 88 15.018 6.793 -3.215 1.00 0.00 N ATOM 0 H GLN A 88 15.229 2.201 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 88 14.160 4.437 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.610 3.550 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.279 2.675 -3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.266 4.780 -4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.567 4.875 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.312 6.537 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.879 7.611 -2.622 1.00 0.00 H new ATOM 1362 N GLN A 89 13.703 1.510 -4.061 1.00 0.00 N ATOM 1363 CA GLN A 89 12.857 0.769 -4.974 1.00 0.00 C ATOM 1364 C GLN A 89 11.387 0.968 -4.649 1.00 0.00 C ATOM 1365 O GLN A 89 10.652 1.358 -5.548 1.00 0.00 O ATOM 1366 CB GLN A 89 13.255 -0.717 -4.990 1.00 0.00 C ATOM 1367 CG GLN A 89 14.092 -0.968 -6.240 1.00 0.00 C ATOM 1368 CD GLN A 89 14.698 -2.346 -6.323 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.231 -2.898 -5.364 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.773 -2.869 -7.525 1.00 0.00 N ATOM 0 H GLN A 89 14.365 0.912 -3.567 1.00 0.00 H new ATOM 0 HA GLN A 89 13.008 1.159 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.823 -0.969 -4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.367 -1.349 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.467 -0.807 -7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.893 -0.230 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.326 -2.401 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.278 -3.743 -7.670 1.00 0.00 H new ATOM 1379 N LEU A 90 10.919 0.728 -3.417 1.00 0.00 N ATOM 1380 CA LEU A 90 9.530 0.945 -3.108 1.00 0.00 C ATOM 1381 C LEU A 90 9.075 2.355 -3.426 1.00 0.00 C ATOM 1382 O LEU A 90 8.023 2.477 -4.046 1.00 0.00 O ATOM 1383 CB LEU A 90 9.246 0.537 -1.665 1.00 0.00 C ATOM 1384 CG LEU A 90 9.322 -0.983 -1.397 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.273 -1.930 -2.604 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.363 -1.402 -0.361 1.00 0.00 C ATOM 0 H LEU A 90 11.485 0.389 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 90 8.933 0.306 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.957 1.043 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.252 0.891 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 90 8.344 -1.133 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.336 -2.962 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.337 -1.784 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.111 -1.717 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.342 -2.485 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.354 -1.093 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.138 -0.927 0.594 1.00 0.00 H new ATOM 1398 N ILE A 91 9.832 3.394 -3.071 1.00 0.00 N ATOM 1399 CA ILE A 91 9.424 4.732 -3.463 1.00 0.00 C ATOM 1400 C ILE A 91 9.526 4.882 -4.981 1.00 0.00 C ATOM 1401 O ILE A 91 8.600 5.418 -5.560 1.00 0.00 O ATOM 1402 CB ILE A 91 10.137 5.829 -2.638 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.403 6.015 -1.291 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.095 7.186 -3.364 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.652 4.928 -0.238 1.00 0.00 C ATOM 0 H ILE A 91 10.697 3.336 -2.534 1.00 0.00 H new ATOM 0 HA ILE A 91 8.373 4.880 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 91 11.171 5.515 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.696 6.976 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.332 6.066 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.604 7.938 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.593 7.098 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.058 7.485 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.088 5.160 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.330 3.963 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.715 4.887 -0.001 1.00 0.00 H new ATOM 1417 N ASP A 92 10.575 4.411 -5.649 1.00 0.00 N ATOM 1418 CA ASP A 92 10.777 4.570 -7.094 1.00 0.00 C ATOM 1419 C ASP A 92 9.590 4.010 -7.882 1.00 0.00 C ATOM 1420 O ASP A 92 9.075 4.666 -8.789 1.00 0.00 O ATOM 1421 CB ASP A 92 12.087 3.865 -7.476 1.00 0.00 C ATOM 1422 CG ASP A 92 12.494 3.996 -8.937 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.980 3.246 -9.794 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.465 4.741 -9.199 1.00 0.00 O ATOM 0 H ASP A 92 11.328 3.895 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 92 10.845 5.629 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.889 4.264 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.994 2.806 -7.235 1.00 0.00 H new ATOM 1429 N ILE A 93 9.114 2.831 -7.478 1.00 0.00 N ATOM 1430 CA ILE A 93 7.985 2.141 -8.078 1.00 0.00 C ATOM 1431 C ILE A 93 6.676 2.833 -7.667 1.00 0.00 C ATOM 1432 O ILE A 93 5.846 3.084 -8.542 1.00 0.00 O ATOM 1433 CB ILE A 93 8.009 0.646 -7.682 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.326 -0.072 -8.070 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.855 -0.103 -8.373 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.594 -1.342 -7.252 1.00 0.00 C ATOM 0 H ILE A 93 9.522 2.318 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 93 8.054 2.189 -9.165 1.00 0.00 H new ATOM 0 HB ILE A 93 7.912 0.627 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.291 -0.331 -9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.159 0.618 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.881 -1.155 -8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.904 0.333 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.962 -0.018 -9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.532 -1.793 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.661 -1.086 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.780 -2.051 -7.403 1.00 0.00 H new ATOM 1448 N VAL A 94 6.455 3.131 -6.377 1.00 0.00 N ATOM 1449 CA VAL A 94 5.235 3.795 -5.906 1.00 0.00 C ATOM 1450 C VAL A 94 5.105 5.142 -6.610 1.00 0.00 C ATOM 1451 O VAL A 94 4.142 5.358 -7.352 1.00 0.00 O ATOM 1452 CB VAL A 94 5.209 3.929 -4.361 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.109 4.898 -3.909 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.880 2.581 -3.718 1.00 0.00 C ATOM 0 H VAL A 94 7.119 2.917 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 94 4.370 3.182 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 94 6.192 4.290 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.114 4.972 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.291 5.882 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.139 4.529 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.865 2.689 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.903 2.242 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.637 1.849 -3.999 1.00 0.00 H new ATOM 1464 N HIS A 95 6.102 6.008 -6.421 1.00 0.00 N ATOM 1465 CA HIS A 95 6.216 7.329 -7.009 1.00 0.00 C ATOM 1466 C HIS A 95 6.086 7.232 -8.539 1.00 0.00 C ATOM 1467 O HIS A 95 5.731 8.212 -9.188 1.00 0.00 O ATOM 1468 CB HIS A 95 7.586 7.940 -6.669 1.00 0.00 C ATOM 1469 CG HIS A 95 7.768 9.398 -7.017 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.987 10.027 -7.093 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.799 10.331 -7.286 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.766 11.307 -7.428 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.450 11.535 -7.605 1.00 0.00 N ATOM 0 H HIS A 95 6.894 5.786 -5.817 1.00 0.00 H new ATOM 0 HA HIS A 95 5.422 7.958 -6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.760 7.818 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.355 7.366 -7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.731 10.170 -7.258 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.538 12.054 -7.541 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.014 12.406 -7.909 1.00 0.00 H new ATOM 1481 N GLY A 96 6.412 6.075 -9.132 1.00 0.00 N ATOM 1482 CA GLY A 96 6.321 5.772 -10.548 1.00 0.00 C ATOM 1483 C GLY A 96 4.877 5.511 -10.975 1.00 0.00 C ATOM 1484 O GLY A 96 4.355 6.237 -11.824 1.00 0.00 O ATOM 0 H GLY A 96 6.767 5.284 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.727 6.602 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.932 4.898 -10.774 1.00 0.00 H new ATOM 1488 N CYS A 97 4.230 4.474 -10.433 1.00 0.00 N ATOM 1489 CA CYS A 97 2.826 4.161 -10.700 1.00 0.00 C ATOM 1490 C CYS A 97 1.940 5.348 -10.333 1.00 0.00 C ATOM 1491 O CYS A 97 0.965 5.540 -11.045 1.00 0.00 O ATOM 1492 CB CYS A 97 2.398 2.878 -9.978 1.00 0.00 C ATOM 1493 SG CYS A 97 2.638 1.339 -10.922 1.00 0.00 S ATOM 0 H CYS A 97 4.675 3.821 -9.788 1.00 0.00 H new ATOM 0 HA CYS A 97 2.707 3.976 -11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.955 2.803 -9.044 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.344 2.963 -9.715 1.00 0.00 H new ATOM 1498 N GLU A 98 2.272 6.205 -9.363 1.00 0.00 N ATOM 1499 CA GLU A 98 1.476 7.391 -9.034 1.00 0.00 C ATOM 1500 C GLU A 98 1.109 8.245 -10.262 1.00 0.00 C ATOM 1501 O GLU A 98 0.057 8.888 -10.262 1.00 0.00 O ATOM 1502 CB GLU A 98 2.218 8.284 -8.026 1.00 0.00 C ATOM 1503 CG GLU A 98 2.039 7.933 -6.540 1.00 0.00 C ATOM 1504 CD GLU A 98 2.380 9.169 -5.699 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.471 9.739 -5.892 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.476 9.630 -4.952 1.00 0.00 O ATOM 0 H GLU A 98 3.103 6.095 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 98 0.551 7.008 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.282 8.251 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.891 9.313 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.014 7.616 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.687 7.100 -6.268 1.00 0.00 H new ATOM 1513 N LYS A 99 1.926 8.225 -11.322 1.00 0.00 N ATOM 1514 CA LYS A 99 1.686 8.969 -12.562 1.00 0.00 C ATOM 1515 C LYS A 99 1.437 8.027 -13.734 1.00 0.00 C ATOM 1516 O LYS A 99 0.579 8.307 -14.569 1.00 0.00 O ATOM 1517 CB LYS A 99 2.800 9.995 -12.853 1.00 0.00 C ATOM 1518 CG LYS A 99 4.215 9.472 -13.175 1.00 0.00 C ATOM 1519 CD LYS A 99 5.105 9.284 -11.944 1.00 0.00 C ATOM 1520 CE LYS A 99 5.698 10.604 -11.423 1.00 0.00 C ATOM 1521 NZ LYS A 99 6.842 10.378 -10.513 1.00 0.00 N ATOM 0 H LYS A 99 2.788 7.681 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 99 0.774 9.550 -12.421 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.474 10.609 -13.693 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.879 10.654 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.129 8.519 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.701 10.167 -13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.523 8.815 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.917 8.600 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.021 11.214 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.925 11.167 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.911 11.168 -9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.700 9.490 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.720 10.317 -11.067 1.00 0.00 H new ATOM 1535 N SER A 100 2.151 6.903 -13.772 1.00 0.00 N ATOM 1536 CA SER A 100 2.056 5.900 -14.818 1.00 0.00 C ATOM 1537 C SER A 100 0.731 5.142 -14.818 1.00 0.00 C ATOM 1538 O SER A 100 0.368 4.559 -15.842 1.00 0.00 O ATOM 1539 CB SER A 100 3.223 4.929 -14.642 1.00 0.00 C ATOM 1540 OG SER A 100 4.323 5.431 -15.369 1.00 0.00 O ATOM 0 H SER A 100 2.831 6.663 -13.051 1.00 0.00 H new ATOM 0 HA SER A 100 2.101 6.409 -15.781 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.478 4.827 -13.587 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.950 3.937 -15.001 1.00 0.00 H new ATOM 0 HG SER A 100 5.086 4.824 -15.269 1.00 0.00 H new ATOM 1546 N THR A 101 0.023 5.096 -13.691 1.00 0.00 N ATOM 1547 CA THR A 101 -1.178 4.296 -13.545 1.00 0.00 C ATOM 1548 C THR A 101 -2.414 5.130 -13.903 1.00 0.00 C ATOM 1549 O THR A 101 -2.710 6.111 -13.213 1.00 0.00 O ATOM 1550 CB THR A 101 -1.205 3.705 -12.138 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.214 2.701 -12.084 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.543 3.047 -11.816 1.00 0.00 C ATOM 0 H THR A 101 0.273 5.618 -12.852 1.00 0.00 H new ATOM 0 HA THR A 101 -1.183 3.457 -14.241 1.00 0.00 H new ATOM 0 HB THR A 101 -1.037 4.509 -11.422 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.312 2.189 -11.254 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.515 2.641 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.339 3.788 -11.887 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.732 2.241 -12.525 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.154 4.754 -14.961 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.403 5.399 -15.312 1.00 0.00 C ATOM 1562 C PRO A 102 -5.472 5.007 -14.290 1.00 0.00 C ATOM 1563 O PRO A 102 -5.617 3.835 -13.915 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.727 4.931 -16.733 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.074 3.554 -16.815 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.897 3.634 -15.853 1.00 0.00 C ATOM 0 HA PRO A 102 -4.351 6.488 -15.292 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.802 4.875 -16.901 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.322 5.612 -17.482 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.770 2.767 -16.526 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.743 3.331 -17.829 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.796 2.707 -15.289 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.964 3.780 -16.397 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.200 6.018 -13.834 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.400 5.987 -13.021 1.00 0.00 C ATOM 1576 C ALA A 103 -8.081 7.348 -13.172 1.00 0.00 C ATOM 1577 O ALA A 103 -7.518 8.249 -13.803 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.007 5.759 -11.566 1.00 0.00 C ATOM 0 H ALA A 103 -5.933 6.978 -14.050 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.072 5.187 -13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.904 5.734 -10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.478 4.810 -11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.358 6.569 -11.233 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.250 7.517 -12.555 1.00 0.00 N ATOM 1585 CA ASN A 104 -9.929 8.812 -12.495 1.00 0.00 C ATOM 1586 C ASN A 104 -9.206 9.730 -11.499 1.00 0.00 C ATOM 1587 O ASN A 104 -8.154 9.380 -10.949 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.416 8.706 -12.136 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.055 7.410 -12.557 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.125 7.055 -13.727 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.457 6.638 -11.577 1.00 0.00 N ATOM 0 H ASN A 104 -9.752 6.764 -12.084 1.00 0.00 H new ATOM 0 HA ASN A 104 -9.887 9.236 -13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.528 8.822 -11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -11.952 9.532 -12.603 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.840 5.715 -11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.386 6.961 -10.612 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.822 10.868 -11.176 1.00 0.00 N ATOM 1599 CA ASP A 105 -9.474 11.678 -9.999 1.00 0.00 C ATOM 1600 C ASP A 105 -9.882 11.017 -8.684 1.00 0.00 C ATOM 1601 O ASP A 105 -9.647 11.551 -7.599 1.00 0.00 O ATOM 1602 CB ASP A 105 -10.126 13.049 -10.077 1.00 0.00 C ATOM 1603 CG ASP A 105 -9.193 14.113 -9.512 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -8.101 14.266 -10.109 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -9.551 14.809 -8.538 1.00 0.00 O ATOM 0 H ASP A 105 -10.585 11.261 -11.727 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.388 11.773 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.371 13.284 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.063 13.045 -9.521 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.543 9.865 -8.781 1.00 0.00 N ATOM 1611 CA ASP A 106 -10.994 9.084 -7.658 1.00 0.00 C ATOM 1612 C ASP A 106 -9.757 8.474 -7.008 1.00 0.00 C ATOM 1613 O ASP A 106 -9.262 7.434 -7.452 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.989 8.054 -8.191 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.679 7.253 -7.097 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.137 7.084 -5.979 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.796 6.764 -7.348 1.00 0.00 O ATOM 0 H ASP A 106 -10.782 9.446 -9.680 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.510 9.664 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.745 8.565 -8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.467 7.368 -8.858 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.214 9.159 -5.996 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.001 8.772 -5.281 1.00 0.00 C ATOM 1624 C LYS A 107 -8.101 7.329 -4.792 1.00 0.00 C ATOM 1625 O LYS A 107 -7.079 6.650 -4.774 1.00 0.00 O ATOM 1626 CB LYS A 107 -7.754 9.732 -4.106 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.223 11.100 -4.560 1.00 0.00 C ATOM 1628 CD LYS A 107 -5.721 11.040 -4.877 1.00 0.00 C ATOM 1629 CE LYS A 107 -5.399 11.436 -6.320 1.00 0.00 C ATOM 1630 NZ LYS A 107 -4.904 12.828 -6.465 1.00 0.00 N ATOM 0 H LYS A 107 -9.622 10.025 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.155 8.836 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.684 9.872 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.040 9.280 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.770 11.430 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.403 11.839 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.185 11.701 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.356 10.029 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.649 10.751 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.295 11.314 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.707 13.024 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.626 13.491 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.031 12.946 -5.912 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.296 6.834 -4.436 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.461 5.435 -4.061 1.00 0.00 C ATOM 1646 C CYS A 108 -9.053 4.538 -5.231 1.00 0.00 C ATOM 1647 O CYS A 108 -8.237 3.641 -5.064 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.913 5.088 -3.706 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.873 6.114 -2.571 1.00 0.00 S ATOM 0 H CYS A 108 -10.154 7.384 -4.402 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.833 5.272 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.468 5.046 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.907 4.079 -3.294 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.654 4.755 -6.403 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.498 3.924 -7.597 1.00 0.00 C ATOM 1656 C ILE A 109 -8.057 4.001 -8.092 1.00 0.00 C ATOM 1657 O ILE A 109 -7.480 2.984 -8.486 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.547 4.353 -8.634 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.906 3.889 -8.045 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.274 3.829 -10.055 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -13.006 3.606 -9.049 1.00 0.00 C ATOM 0 H ILE A 109 -10.285 5.543 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.680 2.871 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.529 5.432 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.736 2.986 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.260 4.655 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.059 4.175 -10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.310 4.201 -10.401 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.260 2.739 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.907 3.290 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -13.218 4.509 -9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.685 2.815 -9.727 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.482 5.200 -8.063 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.109 5.482 -8.342 1.00 0.00 C ATOM 1675 C TRP A 110 -5.166 4.697 -7.426 1.00 0.00 C ATOM 1676 O TRP A 110 -4.425 3.858 -7.938 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.983 7.001 -8.275 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.607 7.480 -8.473 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.872 7.375 -9.596 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.740 8.002 -7.451 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.625 7.932 -9.367 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.474 8.268 -8.037 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.905 8.219 -6.071 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.411 8.749 -7.271 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.821 8.633 -5.289 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.580 8.880 -5.888 1.00 0.00 C ATOM 0 H TRP A 110 -8.009 6.041 -7.828 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.799 5.145 -9.331 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.628 7.446 -9.033 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.345 7.346 -7.306 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.201 6.930 -10.523 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.914 8.075 -10.084 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.871 8.066 -5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.474 9.016 -7.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.942 8.762 -4.224 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.742 9.176 -5.275 1.00 0.00 H new ATOM 1697 N THR A 111 -5.210 4.889 -6.105 1.00 0.00 N ATOM 1698 CA THR A 111 -4.347 4.168 -5.169 1.00 0.00 C ATOM 1699 C THR A 111 -4.558 2.649 -5.258 1.00 0.00 C ATOM 1700 O THR A 111 -3.587 1.903 -5.165 1.00 0.00 O ATOM 1701 CB THR A 111 -4.539 4.749 -3.754 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.119 6.103 -3.766 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.715 4.042 -2.681 1.00 0.00 C ATOM 0 H THR A 111 -5.845 5.549 -5.656 1.00 0.00 H new ATOM 0 HA THR A 111 -3.301 4.314 -5.439 1.00 0.00 H new ATOM 0 HB THR A 111 -5.594 4.623 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.138 6.443 -4.685 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.903 4.506 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.997 2.990 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.655 4.124 -2.923 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.782 2.175 -5.527 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.067 0.776 -5.850 1.00 0.00 C ATOM 1713 C LEU A 112 -5.173 0.309 -7.006 1.00 0.00 C ATOM 1714 O LEU A 112 -4.512 -0.724 -6.891 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.589 0.632 -6.112 1.00 0.00 C ATOM 1716 CG LEU A 112 -8.051 -0.362 -7.162 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.921 -1.783 -6.642 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.517 -0.131 -7.541 1.00 0.00 C ATOM 0 H LEU A 112 -6.614 2.765 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.825 0.114 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.064 0.363 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.972 1.613 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.419 -0.217 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.257 -2.483 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.879 -1.987 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.534 -1.901 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.817 -0.859 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.144 -0.245 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.635 0.876 -7.942 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.133 1.062 -8.107 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.316 0.731 -9.266 1.00 0.00 C ATOM 1732 C GLY A 113 -2.835 0.709 -8.899 1.00 0.00 C ATOM 1733 O GLY A 113 -2.166 -0.302 -9.118 1.00 0.00 O ATOM 0 H GLY A 113 -5.671 1.922 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.612 -0.242 -9.659 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.488 1.460 -10.058 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.338 1.798 -8.300 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.941 1.963 -7.893 1.00 0.00 C ATOM 1739 C VAL A 114 -0.514 0.766 -7.032 1.00 0.00 C ATOM 1740 O VAL A 114 0.510 0.138 -7.298 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.753 3.325 -7.181 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.668 3.534 -6.635 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.056 4.496 -8.134 1.00 0.00 C ATOM 0 H VAL A 114 -2.914 2.610 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.289 1.978 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.453 3.306 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.731 4.507 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.899 2.751 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.383 3.492 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.916 5.440 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.381 4.454 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.086 4.425 -8.482 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.328 0.381 -6.047 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.027 -0.743 -5.177 1.00 0.00 C ATOM 1755 C ALA A 115 -0.930 -2.070 -5.929 1.00 0.00 C ATOM 1756 O ALA A 115 -0.176 -2.945 -5.500 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.112 -0.837 -4.102 1.00 0.00 C ATOM 0 H ALA A 115 -2.212 0.843 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.049 -0.564 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.898 -1.677 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.130 0.085 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.082 -0.986 -4.576 1.00 0.00 H new ATOM 1763 N THR A 116 -1.685 -2.239 -7.015 1.00 0.00 N ATOM 1764 CA THR A 116 -1.773 -3.477 -7.764 1.00 0.00 C ATOM 1765 C THR A 116 -0.557 -3.642 -8.686 1.00 0.00 C ATOM 1766 O THR A 116 0.067 -4.707 -8.654 1.00 0.00 O ATOM 1767 CB THR A 116 -3.105 -3.498 -8.527 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.193 -3.220 -7.660 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.385 -4.879 -9.105 1.00 0.00 C ATOM 0 H THR A 116 -2.265 -1.494 -7.402 1.00 0.00 H new ATOM 0 HA THR A 116 -1.756 -4.331 -7.087 1.00 0.00 H new ATOM 0 HB THR A 116 -3.015 -2.747 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.262 -2.252 -7.522 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.335 -4.864 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.586 -5.154 -9.793 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.435 -5.608 -8.297 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.190 -2.615 -9.470 1.00 0.00 N ATOM 1778 CA CYS A 117 1.010 -2.677 -10.310 1.00 0.00 C ATOM 1779 C CYS A 117 2.244 -2.899 -9.441 1.00 0.00 C ATOM 1780 O CYS A 117 3.083 -3.746 -9.762 1.00 0.00 O ATOM 1781 CB CYS A 117 1.179 -1.414 -11.165 1.00 0.00 C ATOM 1782 SG CYS A 117 1.085 0.172 -10.291 1.00 0.00 S ATOM 0 H CYS A 117 -0.706 -1.738 -9.537 1.00 0.00 H new ATOM 0 HA CYS A 117 0.893 -3.518 -10.994 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.144 -1.469 -11.669 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.413 -1.422 -11.941 1.00 0.00 H new ATOM 1787 N PHE A 118 2.312 -2.179 -8.316 1.00 0.00 N ATOM 1788 CA PHE A 118 3.373 -2.285 -7.336 1.00 0.00 C ATOM 1789 C PHE A 118 3.457 -3.703 -6.779 1.00 0.00 C ATOM 1790 O PHE A 118 4.545 -4.264 -6.749 1.00 0.00 O ATOM 1791 CB PHE A 118 3.102 -1.248 -6.250 1.00 0.00 C ATOM 1792 CG PHE A 118 4.046 -1.260 -5.073 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.305 -0.661 -5.189 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.641 -1.783 -3.834 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.135 -0.555 -4.070 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.459 -1.637 -2.699 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.705 -1.008 -2.814 1.00 0.00 C ATOM 0 H PHE A 118 1.604 -1.489 -8.064 1.00 0.00 H new ATOM 0 HA PHE A 118 4.343 -2.085 -7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.133 -0.258 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.088 -1.397 -5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.636 -0.280 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.696 -2.300 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.118 -0.120 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.127 -2.009 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.329 -0.873 -1.943 1.00 0.00 H new ATOM 1807 N LYS A 119 2.332 -4.322 -6.394 1.00 0.00 N ATOM 1808 CA LYS A 119 2.299 -5.689 -5.863 1.00 0.00 C ATOM 1809 C LYS A 119 3.104 -6.642 -6.747 1.00 0.00 C ATOM 1810 O LYS A 119 3.949 -7.370 -6.237 1.00 0.00 O ATOM 1811 CB LYS A 119 0.845 -6.160 -5.717 1.00 0.00 C ATOM 1812 CG LYS A 119 0.737 -7.527 -5.028 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.643 -8.168 -5.231 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.624 -9.189 -6.380 1.00 0.00 C ATOM 1815 NZ LYS A 119 -0.480 -8.600 -7.726 1.00 0.00 N ATOM 0 H LYS A 119 1.413 -3.883 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 119 2.763 -5.691 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.283 -5.422 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.384 -6.216 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.506 -8.192 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.929 -7.411 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.956 -8.660 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.378 -7.392 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.196 -9.887 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.547 -9.768 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.511 -9.355 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.257 -7.930 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.429 -8.099 -7.790 1.00 0.00 H new ATOM 1829 N ALA A 120 2.844 -6.654 -8.056 1.00 0.00 N ATOM 1830 CA ALA A 120 3.546 -7.529 -8.989 1.00 0.00 C ATOM 1831 C ALA A 120 5.063 -7.280 -8.997 1.00 0.00 C ATOM 1832 O ALA A 120 5.842 -8.215 -9.158 1.00 0.00 O ATOM 1833 CB ALA A 120 2.956 -7.332 -10.384 1.00 0.00 C ATOM 0 H ALA A 120 2.142 -6.058 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 120 3.408 -8.561 -8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.472 -7.981 -11.092 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.895 -7.582 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.079 -6.292 -10.688 1.00 0.00 H new ATOM 1839 N GLU A 121 5.514 -6.043 -8.788 1.00 0.00 N ATOM 1840 CA GLU A 121 6.937 -5.750 -8.653 1.00 0.00 C ATOM 1841 C GLU A 121 7.484 -6.459 -7.411 1.00 0.00 C ATOM 1842 O GLU A 121 8.515 -7.115 -7.509 1.00 0.00 O ATOM 1843 CB GLU A 121 7.205 -4.240 -8.621 1.00 0.00 C ATOM 1844 CG GLU A 121 6.722 -3.518 -9.894 1.00 0.00 C ATOM 1845 CD GLU A 121 7.713 -3.533 -11.069 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.758 -4.227 -11.002 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.416 -2.925 -12.123 1.00 0.00 O ATOM 0 H GLU A 121 4.909 -5.225 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 121 7.462 -6.130 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.709 -3.806 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.274 -4.068 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.788 -3.976 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.497 -2.482 -9.642 1.00 0.00 H new ATOM 1854 N ILE A 122 6.774 -6.423 -6.278 1.00 0.00 N ATOM 1855 CA ILE A 122 7.176 -7.120 -5.045 1.00 0.00 C ATOM 1856 C ILE A 122 7.341 -8.622 -5.311 1.00 0.00 C ATOM 1857 O ILE A 122 8.313 -9.225 -4.853 1.00 0.00 O ATOM 1858 CB ILE A 122 6.183 -6.853 -3.885 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.697 -5.395 -3.792 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.762 -7.245 -2.520 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.804 -4.332 -3.793 1.00 0.00 C ATOM 0 H ILE A 122 5.899 -5.907 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 122 8.141 -6.721 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 122 5.329 -7.484 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.027 -5.199 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.110 -5.283 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 122 6.028 -7.039 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.003 -8.308 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.666 -6.667 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.356 -3.341 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.463 -4.492 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.380 -4.407 -4.716 1.00 0.00 H new ATOM 1873 N HIS A 123 6.418 -9.222 -6.072 1.00 0.00 N ATOM 1874 CA HIS A 123 6.539 -10.613 -6.513 1.00 0.00 C ATOM 1875 C HIS A 123 7.846 -10.814 -7.290 1.00 0.00 C ATOM 1876 O HIS A 123 8.628 -11.697 -6.948 1.00 0.00 O ATOM 1877 CB HIS A 123 5.348 -11.065 -7.372 1.00 0.00 C ATOM 1878 CG HIS A 123 4.015 -11.183 -6.675 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.051 -12.112 -6.988 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.500 -10.377 -5.695 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.977 -11.862 -6.230 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.200 -10.815 -5.418 1.00 0.00 N ATOM 0 H HIS A 123 5.570 -8.758 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 123 6.546 -11.230 -5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.239 -10.363 -8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.591 -12.034 -7.807 1.00 0.00 H new ATOM 0 HD1 HIS A 123 3.139 -12.860 -7.676 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.007 -9.550 -5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.056 -12.425 -6.266 1.00 0.00 H new ATOM 1890 N LYS A 124 8.125 -9.996 -8.308 1.00 0.00 N ATOM 1891 CA LYS A 124 9.339 -10.102 -9.128 1.00 0.00 C ATOM 1892 C LYS A 124 10.608 -9.969 -8.296 1.00 0.00 C ATOM 1893 O LYS A 124 11.546 -10.753 -8.464 1.00 0.00 O ATOM 1894 CB LYS A 124 9.324 -9.009 -10.198 1.00 0.00 C ATOM 1895 CG LYS A 124 8.296 -9.308 -11.288 1.00 0.00 C ATOM 1896 CD LYS A 124 7.871 -8.063 -12.073 1.00 0.00 C ATOM 1897 CE LYS A 124 9.001 -7.369 -12.836 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.856 -6.497 -12.007 1.00 0.00 N ATOM 0 H LYS A 124 7.510 -9.233 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 124 9.343 -11.091 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.097 -8.048 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.315 -8.922 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.711 -10.041 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.415 -9.762 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.093 -8.346 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.427 -7.348 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.626 -8.129 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.567 -6.773 -13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.434 -5.891 -12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.258 -5.902 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.479 -7.083 -11.415 1.00 0.00 H new ATOM 1912 N LEU A 125 10.646 -8.972 -7.413 1.00 0.00 N ATOM 1913 CA LEU A 125 11.743 -8.728 -6.479 1.00 0.00 C ATOM 1914 C LEU A 125 11.909 -9.918 -5.514 1.00 0.00 C ATOM 1915 O LEU A 125 12.953 -10.048 -4.885 1.00 0.00 O ATOM 1916 CB LEU A 125 11.501 -7.412 -5.705 1.00 0.00 C ATOM 1917 CG LEU A 125 11.389 -6.134 -6.576 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.659 -5.007 -5.839 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.751 -5.595 -7.005 1.00 0.00 C ATOM 0 H LEU A 125 9.891 -8.292 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 125 12.669 -8.626 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.584 -7.516 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.315 -7.275 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 125 10.825 -6.440 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.601 -4.129 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.652 -5.334 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.204 -4.755 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.613 -4.700 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.339 -5.347 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.275 -6.352 -7.588 1.00 0.00 H new ATOM 1931 N ASN A 126 10.921 -10.821 -5.456 1.00 0.00 N ATOM 1932 CA ASN A 126 10.790 -11.979 -4.579 1.00 0.00 C ATOM 1933 C ASN A 126 10.761 -11.546 -3.120 1.00 0.00 C ATOM 1934 O ASN A 126 11.527 -12.023 -2.282 1.00 0.00 O ATOM 1935 CB ASN A 126 11.830 -13.064 -4.884 1.00 0.00 C ATOM 1936 CG ASN A 126 11.470 -14.386 -4.214 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.466 -14.529 -3.521 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.287 -15.398 -4.412 1.00 0.00 N ATOM 0 H ASN A 126 10.121 -10.747 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 126 9.830 -12.454 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.901 -13.209 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.811 -12.736 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.088 -16.305 -3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.120 -15.276 -4.988 1.00 0.00 H new ATOM 1945 N TRP A 127 9.893 -10.580 -2.825 1.00 0.00 N ATOM 1946 CA TRP A 127 9.765 -9.932 -1.528 1.00 0.00 C ATOM 1947 C TRP A 127 8.454 -10.327 -0.835 1.00 0.00 C ATOM 1948 O TRP A 127 7.957 -9.584 0.004 1.00 0.00 O ATOM 1949 CB TRP A 127 10.000 -8.424 -1.683 1.00 0.00 C ATOM 1950 CG TRP A 127 11.393 -7.972 -2.003 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.478 -8.753 -2.205 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.868 -6.606 -2.174 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.594 -7.967 -2.370 1.00 0.00 N ATOM 1954 CE2 TRP A 127 13.252 -6.641 -2.517 1.00 0.00 C ATOM 1955 CE3 TRP A 127 11.252 -5.343 -2.099 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.951 -5.491 -2.911 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.956 -4.178 -2.451 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.272 -4.262 -2.936 1.00 0.00 C ATOM 0 H TRP A 127 9.235 -10.215 -3.513 1.00 0.00 H new ATOM 0 HA TRP A 127 10.538 -10.286 -0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.339 -8.059 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.693 -7.938 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.469 -9.833 -2.233 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.551 -8.320 -2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 127 10.227 -5.268 -1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.993 -5.549 -3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 11.482 -3.213 -2.348 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.761 -3.382 -3.328 1.00 0.00 H new ATOM 1969 N ALA A 128 7.884 -11.494 -1.151 1.00 0.00 N ATOM 1970 CA ALA A 128 6.732 -12.053 -0.453 1.00 0.00 C ATOM 1971 C ALA A 128 6.861 -13.564 -0.412 1.00 0.00 C ATOM 1972 O ALA A 128 6.192 -14.203 0.424 1.00 0.00 O ATOM 1973 CB ALA A 128 5.437 -11.626 -1.149 1.00 0.00 C ATOM 0 H ALA A 128 8.219 -12.084 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 128 6.699 -11.676 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.583 -12.049 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.364 -10.538 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.441 -11.986 -2.178 1.00 0.00 H new