USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 987 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 86 THR OG1 : rot 111:sc= 0.217 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.0983 X(o=0.32,f=0.27) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -139:sc= 0.465 (180deg=-1.42!) USER MOD Set 2.2: A 56 TYR OH : rot -93:sc= 0.802 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.05 (180deg=-0.193) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= 1.18 (180deg=0.27) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0.16 USER MOD Single : A 6 TYR OH : rot -177:sc= 0.687 USER MOD Single : A 7 TYR OH : rot 172:sc= 0.689 USER MOD Single : A 16 SER OG : rot 130:sc= -0.965 USER MOD Single : A 19 LYS NZ :NH3+ -108:sc= 0.399 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -23:sc= 0.167 USER MOD Single : A 23 THR OG1 : rot 145:sc= 0.0511 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 5:sc= 0.192 USER MOD Single : A 37 ASN : amide:sc= -1.91! C(o=-1.9!,f=-5.7!) USER MOD Single : A 40 ASN : amide:sc= -0.0634 K(o=-0.063,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 163:sc= 0.0776 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -168:sc= -0.847 (180deg=-1.33!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.355 K(o=0.35,f=-1.4) USER MOD Single : A 71 GLN : amide:sc= -0.0227 K(o=-0.023,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= 0.306 (180deg=0.291) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0.785 (180deg=0.778) USER MOD Single : A 83 GLN : amide:sc= 0.333 K(o=0.33,f=-2.2!) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc=-0.00482 (180deg=-0.0687) USER MOD Single : A 90 TYR OH : rot 36:sc= -0.4 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 0.835 (180deg=0.603) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0416 F(o=-1.2!,f=-0.042) USER MOD Single : A 96 HIS : +bothHN:sc= 0.803 K(o=0.8,f=-2.9!) USER MOD Single : A 97 THR OG1 : rot 64:sc= 0.84 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= -0.0122 (180deg=-0.223) USER MOD Single : A 108 LYS NZ :NH3+ -143:sc= 0.77 (180deg=0.151) USER MOD Single : A 109 LYS NZ :NH3+ 171:sc= 0.573 (180deg=0.31) USER MOD Single : A 116 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0279) USER MOD Single : A 119 LYS NZ :NH3+ 174:sc= 0.352 (180deg=0.317) USER MOD Single : A 123 LYS NZ :NH3+ 154:sc= 0.727 (180deg=0.0757) USER MOD Single : A 126 HIS : no HE2:sc= -0.459 K(o=-0.46,f=-4.1!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.0066) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 129 HIS : no HE2:sc= 0.489 K(o=0.49,f=-1.6!) USER MOD Single : A 130 HIS : no HD1:sc= 0.438 K(o=0.44,f=-1.8!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.119 -8.484 16.583 1.00 60.04 N ATOM 2 CA MET A 1 4.199 -9.446 15.466 1.00 40.34 C ATOM 3 C MET A 1 5.490 -10.235 15.515 1.00 50.34 C ATOM 4 O MET A 1 6.483 -9.798 16.100 1.00 55.10 O ATOM 5 CB MET A 1 4.075 -8.765 14.080 1.00 50.41 C ATOM 6 CG MET A 1 5.009 -7.590 13.835 1.00 55.54 C ATOM 7 SD MET A 1 4.388 -6.040 14.504 1.00 61.52 S ATOM 8 CE MET A 1 5.639 -4.923 13.894 1.00 2.23 C ATOM 0 H1 MET A 1 3.266 -8.676 17.146 1.00 60.04 H new ATOM 0 H2 MET A 1 4.961 -8.582 17.186 1.00 60.04 H new ATOM 0 H3 MET A 1 4.074 -7.516 16.205 1.00 60.04 H new ATOM 0 HA MET A 1 3.351 -10.119 15.591 1.00 40.34 H new ATOM 0 HB2 MET A 1 4.255 -9.515 13.310 1.00 50.41 H new ATOM 0 HB3 MET A 1 3.048 -8.421 13.956 1.00 50.41 H new ATOM 0 HG2 MET A 1 5.980 -7.807 14.280 1.00 55.54 H new ATOM 0 HG3 MET A 1 5.168 -7.478 12.762 1.00 55.54 H new ATOM 0 HE1 MET A 1 5.410 -3.908 14.218 1.00 2.23 H new ATOM 0 HE2 MET A 1 6.612 -5.218 14.286 1.00 2.23 H new ATOM 0 HE3 MET A 1 5.660 -4.960 12.805 1.00 2.23 H new ATOM 20 N LYS A 2 5.456 -11.398 14.880 1.00 23.25 N ATOM 21 CA LYS A 2 6.640 -12.212 14.670 1.00 35.54 C ATOM 22 C LYS A 2 7.294 -11.779 13.370 1.00 23.12 C ATOM 23 O LYS A 2 6.760 -10.910 12.681 1.00 5.42 O ATOM 24 CB LYS A 2 6.262 -13.704 14.612 1.00 35.22 C ATOM 25 CG LYS A 2 5.213 -14.060 13.554 1.00 71.41 C ATOM 26 CD LYS A 2 4.939 -15.557 13.483 1.00 12.24 C ATOM 27 CE LYS A 2 6.036 -16.312 12.743 1.00 35.20 C ATOM 28 NZ LYS A 2 6.049 -16.004 11.290 1.00 50.11 N ATOM 0 H LYS A 2 4.602 -11.803 14.495 1.00 23.25 H new ATOM 0 HA LYS A 2 7.336 -12.076 15.498 1.00 35.54 H new ATOM 0 HB2 LYS A 2 7.164 -14.286 14.420 1.00 35.22 H new ATOM 0 HB3 LYS A 2 5.889 -14.008 15.590 1.00 35.22 H new ATOM 0 HG2 LYS A 2 4.284 -13.534 13.777 1.00 71.41 H new ATOM 0 HG3 LYS A 2 5.552 -13.709 12.579 1.00 71.41 H new ATOM 0 HD2 LYS A 2 4.845 -15.955 14.493 1.00 12.24 H new ATOM 0 HD3 LYS A 2 3.985 -15.726 12.984 1.00 12.24 H new ATOM 0 HE2 LYS A 2 7.004 -16.058 13.175 1.00 35.20 H new ATOM 0 HE3 LYS A 2 5.895 -17.384 12.884 1.00 35.20 H new ATOM 0 HZ1 LYS A 2 6.302 -16.860 10.756 1.00 50.11 H new ATOM 0 HZ2 LYS A 2 5.106 -15.678 10.996 1.00 50.11 H new ATOM 0 HZ3 LYS A 2 6.748 -15.258 11.099 1.00 50.11 H new ATOM 42 N ASP A 3 8.428 -12.366 13.025 1.00 32.54 N ATOM 43 CA ASP A 3 9.022 -12.126 11.722 1.00 43.12 C ATOM 44 C ASP A 3 8.220 -12.872 10.649 1.00 4.44 C ATOM 45 O ASP A 3 8.089 -14.093 10.680 1.00 4.34 O ATOM 46 CB ASP A 3 10.522 -12.498 11.700 1.00 71.12 C ATOM 47 CG ASP A 3 10.824 -13.958 11.999 1.00 3.11 C ATOM 48 OD1 ASP A 3 10.753 -14.362 13.172 1.00 43.45 O ATOM 49 OD2 ASP A 3 11.154 -14.697 11.051 1.00 52.23 O ATOM 0 H ASP A 3 8.951 -13.006 13.623 1.00 32.54 H new ATOM 0 HA ASP A 3 8.976 -11.059 11.503 1.00 43.12 H new ATOM 0 HB2 ASP A 3 10.928 -12.252 10.719 1.00 71.12 H new ATOM 0 HB3 ASP A 3 11.046 -11.877 12.427 1.00 71.12 H new ATOM 54 N GLY A 4 7.644 -12.112 9.731 1.00 52.41 N ATOM 55 CA GLY A 4 6.839 -12.684 8.671 1.00 11.11 C ATOM 56 C GLY A 4 6.524 -11.676 7.598 1.00 0.34 C ATOM 57 O GLY A 4 7.315 -10.782 7.334 1.00 43.11 O ATOM 0 H GLY A 4 7.721 -11.095 9.701 1.00 52.41 H new ATOM 0 HA2 GLY A 4 7.367 -13.530 8.231 1.00 11.11 H new ATOM 0 HA3 GLY A 4 5.910 -13.071 9.089 1.00 11.11 H new ATOM 61 N THR A 5 5.393 -11.842 6.937 1.00 73.03 N ATOM 62 CA THR A 5 4.919 -10.872 5.964 1.00 54.52 C ATOM 63 C THR A 5 3.397 -10.844 6.000 1.00 41.21 C ATOM 64 O THR A 5 2.755 -11.878 6.026 1.00 33.15 O ATOM 65 CB THR A 5 5.395 -11.178 4.528 1.00 42.44 C ATOM 66 OG1 THR A 5 6.719 -11.740 4.524 1.00 24.05 O ATOM 67 CG2 THR A 5 5.408 -9.901 3.723 1.00 21.22 C ATOM 0 H THR A 5 4.779 -12.648 7.058 1.00 73.03 H new ATOM 0 HA THR A 5 5.337 -9.902 6.235 1.00 54.52 H new ATOM 0 HB THR A 5 4.707 -11.902 4.091 1.00 42.44 H new ATOM 0 HG1 THR A 5 7.231 -11.366 3.777 1.00 24.05 H new ATOM 0 HG21 THR A 5 5.744 -10.114 2.708 1.00 21.22 H new ATOM 0 HG22 THR A 5 4.403 -9.480 3.692 1.00 21.22 H new ATOM 0 HG23 THR A 5 6.087 -9.185 4.187 1.00 21.22 H new ATOM 75 N TYR A 6 2.822 -9.659 6.071 1.00 61.40 N ATOM 76 CA TYR A 6 1.398 -9.509 6.350 1.00 2.40 C ATOM 77 C TYR A 6 0.796 -8.572 5.347 1.00 71.54 C ATOM 78 O TYR A 6 1.082 -7.391 5.371 1.00 12.42 O ATOM 79 CB TYR A 6 1.202 -8.962 7.777 1.00 15.52 C ATOM 80 CG TYR A 6 2.037 -9.714 8.785 1.00 24.04 C ATOM 81 CD1 TYR A 6 1.776 -11.043 9.058 1.00 34.30 C ATOM 82 CD2 TYR A 6 3.154 -9.128 9.366 1.00 44.45 C ATOM 83 CE1 TYR A 6 2.597 -11.769 9.882 1.00 61.04 C ATOM 84 CE2 TYR A 6 3.966 -9.846 10.212 1.00 1.03 C ATOM 85 CZ TYR A 6 3.689 -11.167 10.454 1.00 53.12 C ATOM 86 OH TYR A 6 4.523 -11.893 11.257 1.00 4.21 O ATOM 0 H TYR A 6 3.319 -8.778 5.939 1.00 61.40 H new ATOM 0 HA TYR A 6 0.904 -10.478 6.277 1.00 2.40 H new ATOM 0 HB2 TYR A 6 1.468 -7.905 7.801 1.00 15.52 H new ATOM 0 HB3 TYR A 6 0.150 -9.032 8.052 1.00 15.52 H new ATOM 0 HD1 TYR A 6 0.912 -11.517 8.616 1.00 34.30 H new ATOM 0 HD2 TYR A 6 3.388 -8.096 9.151 1.00 44.45 H new ATOM 0 HE1 TYR A 6 2.385 -12.809 10.080 1.00 61.04 H new ATOM 0 HE2 TYR A 6 4.815 -9.373 10.682 1.00 1.03 H new ATOM 0 HH TYR A 6 5.220 -11.307 11.619 1.00 4.21 H new ATOM 96 N TYR A 7 -0.006 -9.090 4.446 1.00 61.24 N ATOM 97 CA TYR A 7 -0.597 -8.253 3.430 1.00 4.03 C ATOM 98 C TYR A 7 -2.071 -8.044 3.736 1.00 25.52 C ATOM 99 O TYR A 7 -2.714 -8.886 4.375 1.00 34.41 O ATOM 100 CB TYR A 7 -0.355 -8.847 2.013 1.00 63.43 C ATOM 101 CG TYR A 7 -1.505 -9.615 1.383 1.00 12.01 C ATOM 102 CD1 TYR A 7 -1.715 -10.959 1.656 1.00 43.20 C ATOM 103 CD2 TYR A 7 -2.380 -8.973 0.514 1.00 75.04 C ATOM 104 CE1 TYR A 7 -2.771 -11.641 1.081 1.00 13.41 C ATOM 105 CE2 TYR A 7 -3.435 -9.641 -0.059 1.00 72.11 C ATOM 106 CZ TYR A 7 -3.630 -10.978 0.225 1.00 64.13 C ATOM 107 OH TYR A 7 -4.689 -11.656 -0.341 1.00 73.25 O ATOM 0 H TYR A 7 -0.262 -10.076 4.396 1.00 61.24 H new ATOM 0 HA TYR A 7 -0.117 -7.275 3.437 1.00 4.03 H new ATOM 0 HB2 TYR A 7 -0.086 -8.029 1.344 1.00 63.43 H new ATOM 0 HB3 TYR A 7 0.507 -9.511 2.067 1.00 63.43 H new ATOM 0 HD1 TYR A 7 -1.046 -11.478 2.326 1.00 43.20 H new ATOM 0 HD2 TYR A 7 -2.227 -7.929 0.285 1.00 75.04 H new ATOM 0 HE1 TYR A 7 -2.924 -12.687 1.300 1.00 13.41 H new ATOM 0 HE2 TYR A 7 -4.107 -9.124 -0.727 1.00 72.11 H new ATOM 0 HH TYR A 7 -5.270 -11.022 -0.810 1.00 73.25 H new ATOM 117 N ALA A 8 -2.586 -6.910 3.304 1.00 1.24 N ATOM 118 CA ALA A 8 -4.008 -6.661 3.324 1.00 41.13 C ATOM 119 C ALA A 8 -4.421 -6.026 2.016 1.00 62.45 C ATOM 120 O ALA A 8 -3.724 -5.152 1.495 1.00 61.04 O ATOM 121 CB ALA A 8 -4.405 -5.787 4.500 1.00 15.21 C ATOM 0 H ALA A 8 -2.031 -6.140 2.931 1.00 1.24 H new ATOM 0 HA ALA A 8 -4.528 -7.612 3.445 1.00 41.13 H new ATOM 0 HB1 ALA A 8 -5.482 -5.621 4.483 1.00 15.21 H new ATOM 0 HB2 ALA A 8 -4.129 -6.282 5.431 1.00 15.21 H new ATOM 0 HB3 ALA A 8 -3.889 -4.829 4.432 1.00 15.21 H new ATOM 127 N GLU A 9 -5.545 -6.470 1.486 1.00 1.21 N ATOM 128 CA GLU A 9 -6.053 -5.934 0.243 1.00 20.13 C ATOM 129 C GLU A 9 -7.337 -5.174 0.503 1.00 44.11 C ATOM 130 O GLU A 9 -8.043 -5.432 1.489 1.00 53.34 O ATOM 131 CB GLU A 9 -6.264 -7.043 -0.801 1.00 70.13 C ATOM 132 CG GLU A 9 -7.359 -8.039 -0.472 1.00 74.31 C ATOM 133 CD GLU A 9 -7.469 -9.143 -1.499 1.00 45.41 C ATOM 134 OE1 GLU A 9 -6.462 -9.822 -1.759 1.00 14.15 O ATOM 135 OE2 GLU A 9 -8.575 -9.342 -2.036 1.00 72.23 O ATOM 0 H GLU A 9 -6.123 -7.202 1.900 1.00 1.21 H new ATOM 0 HA GLU A 9 -5.314 -5.246 -0.168 1.00 20.13 H new ATOM 0 HB2 GLU A 9 -6.494 -6.578 -1.760 1.00 70.13 H new ATOM 0 HB3 GLU A 9 -5.327 -7.586 -0.926 1.00 70.13 H new ATOM 0 HG2 GLU A 9 -7.165 -8.477 0.507 1.00 74.31 H new ATOM 0 HG3 GLU A 9 -8.313 -7.515 -0.403 1.00 74.31 H new ATOM 142 N ALA A 10 -7.593 -4.201 -0.356 1.00 63.52 N ATOM 143 CA ALA A 10 -8.751 -3.337 -0.248 1.00 2.34 C ATOM 144 C ALA A 10 -10.044 -4.114 -0.495 1.00 54.31 C ATOM 145 O ALA A 10 -10.061 -5.090 -1.240 1.00 21.42 O ATOM 146 CB ALA A 10 -8.609 -2.178 -1.221 1.00 22.34 C ATOM 0 H ALA A 10 -6.995 -3.989 -1.155 1.00 63.52 H new ATOM 0 HA ALA A 10 -8.805 -2.941 0.766 1.00 2.34 H new ATOM 0 HB1 ALA A 10 -9.480 -1.527 -1.141 1.00 22.34 H new ATOM 0 HB2 ALA A 10 -7.709 -1.611 -0.983 1.00 22.34 H new ATOM 0 HB3 ALA A 10 -8.537 -2.563 -2.238 1.00 22.34 H new ATOM 152 N ASP A 11 -11.114 -3.677 0.154 1.00 44.10 N ATOM 153 CA ASP A 11 -12.411 -4.354 0.094 1.00 3.04 C ATOM 154 C ASP A 11 -13.068 -4.156 -1.281 1.00 54.44 C ATOM 155 O ASP A 11 -13.746 -5.044 -1.803 1.00 72.32 O ATOM 156 CB ASP A 11 -13.303 -3.828 1.230 1.00 64.33 C ATOM 157 CG ASP A 11 -14.670 -4.476 1.282 1.00 32.24 C ATOM 158 OD1 ASP A 11 -14.755 -5.694 1.543 1.00 5.41 O ATOM 159 OD2 ASP A 11 -15.671 -3.761 1.076 1.00 0.31 O ATOM 0 H ASP A 11 -11.112 -2.842 0.739 1.00 44.10 H new ATOM 0 HA ASP A 11 -12.271 -5.427 0.226 1.00 3.04 H new ATOM 0 HB2 ASP A 11 -12.797 -3.991 2.182 1.00 64.33 H new ATOM 0 HB3 ASP A 11 -13.426 -2.751 1.114 1.00 64.33 H new ATOM 164 N ASP A 12 -12.841 -2.988 -1.864 1.00 30.32 N ATOM 165 CA ASP A 12 -13.252 -2.705 -3.231 1.00 11.51 C ATOM 166 C ASP A 12 -12.017 -2.503 -4.116 1.00 12.52 C ATOM 167 O ASP A 12 -10.879 -2.576 -3.645 1.00 32.15 O ATOM 168 CB ASP A 12 -14.172 -1.463 -3.287 1.00 0.52 C ATOM 169 CG ASP A 12 -13.529 -0.196 -2.742 1.00 31.03 C ATOM 170 OD1 ASP A 12 -13.573 0.017 -1.514 1.00 41.21 O ATOM 171 OD2 ASP A 12 -12.986 0.598 -3.531 1.00 0.33 O ATOM 0 H ASP A 12 -12.367 -2.211 -1.403 1.00 30.32 H new ATOM 0 HA ASP A 12 -13.820 -3.557 -3.606 1.00 11.51 H new ATOM 0 HB2 ASP A 12 -14.472 -1.291 -4.321 1.00 0.52 H new ATOM 0 HB3 ASP A 12 -15.081 -1.670 -2.722 1.00 0.52 H new ATOM 176 N PHE A 13 -12.249 -2.274 -5.397 1.00 64.13 N ATOM 177 CA PHE A 13 -11.192 -1.886 -6.320 1.00 34.11 C ATOM 178 C PHE A 13 -11.218 -0.378 -6.500 1.00 60.24 C ATOM 179 O PHE A 13 -12.285 0.238 -6.416 1.00 51.04 O ATOM 180 CB PHE A 13 -11.370 -2.559 -7.690 1.00 13.22 C ATOM 181 CG PHE A 13 -11.190 -4.055 -7.696 1.00 64.01 C ATOM 182 CD1 PHE A 13 -9.940 -4.611 -7.904 1.00 22.22 C ATOM 183 CD2 PHE A 13 -12.274 -4.904 -7.527 1.00 72.10 C ATOM 184 CE1 PHE A 13 -9.769 -5.984 -7.936 1.00 22.54 C ATOM 185 CE2 PHE A 13 -12.108 -6.276 -7.556 1.00 60.40 C ATOM 186 CZ PHE A 13 -10.855 -6.816 -7.764 1.00 33.43 C ATOM 0 H PHE A 13 -13.171 -2.351 -5.827 1.00 64.13 H new ATOM 0 HA PHE A 13 -10.238 -2.206 -5.902 1.00 34.11 H new ATOM 0 HB2 PHE A 13 -12.367 -2.327 -8.064 1.00 13.22 H new ATOM 0 HB3 PHE A 13 -10.657 -2.120 -8.388 1.00 13.22 H new ATOM 0 HD1 PHE A 13 -9.086 -3.965 -8.043 1.00 22.22 H new ATOM 0 HD2 PHE A 13 -13.259 -4.488 -7.371 1.00 72.10 H new ATOM 0 HE1 PHE A 13 -8.786 -6.403 -8.095 1.00 22.54 H new ATOM 0 HE2 PHE A 13 -12.959 -6.926 -7.416 1.00 60.40 H new ATOM 0 HZ PHE A 13 -10.725 -7.888 -7.792 1.00 33.43 H new ATOM 196 N ASP A 14 -10.056 0.216 -6.765 1.00 51.20 N ATOM 197 CA ASP A 14 -9.975 1.651 -7.029 1.00 60.35 C ATOM 198 C ASP A 14 -10.529 1.954 -8.433 1.00 3.13 C ATOM 199 O ASP A 14 -10.794 1.033 -9.215 1.00 52.14 O ATOM 200 CB ASP A 14 -8.525 2.153 -6.875 1.00 51.25 C ATOM 201 CG ASP A 14 -8.449 3.636 -6.551 1.00 13.31 C ATOM 202 OD1 ASP A 14 -8.643 3.999 -5.367 1.00 52.13 O ATOM 203 OD2 ASP A 14 -8.236 4.442 -7.482 1.00 53.44 O ATOM 0 H ASP A 14 -9.161 -0.272 -6.803 1.00 51.20 H new ATOM 0 HA ASP A 14 -10.583 2.183 -6.298 1.00 60.35 H new ATOM 0 HB2 ASP A 14 -8.031 1.587 -6.085 1.00 51.25 H new ATOM 0 HB3 ASP A 14 -7.978 1.958 -7.797 1.00 51.25 H new ATOM 208 N GLU A 15 -10.678 3.237 -8.751 1.00 31.32 N ATOM 209 CA GLU A 15 -11.389 3.690 -9.951 1.00 12.43 C ATOM 210 C GLU A 15 -10.647 3.371 -11.256 1.00 73.34 C ATOM 211 O GLU A 15 -11.279 3.247 -12.301 1.00 21.34 O ATOM 212 CB GLU A 15 -11.683 5.189 -9.844 1.00 45.41 C ATOM 213 CG GLU A 15 -12.620 5.529 -8.690 1.00 21.44 C ATOM 214 CD GLU A 15 -12.963 7.001 -8.605 1.00 0.01 C ATOM 215 OE1 GLU A 15 -13.919 7.435 -9.282 1.00 24.50 O ATOM 216 OE2 GLU A 15 -12.296 7.727 -7.842 1.00 64.44 O ATOM 0 H GLU A 15 -10.308 3.999 -8.182 1.00 31.32 H new ATOM 0 HA GLU A 15 -12.325 3.133 -9.997 1.00 12.43 H new ATOM 0 HB2 GLU A 15 -10.745 5.730 -9.715 1.00 45.41 H new ATOM 0 HB3 GLU A 15 -12.125 5.535 -10.778 1.00 45.41 H new ATOM 0 HG2 GLU A 15 -13.540 4.955 -8.798 1.00 21.44 H new ATOM 0 HG3 GLU A 15 -12.158 5.217 -7.753 1.00 21.44 H new ATOM 223 N SER A 16 -9.321 3.189 -11.190 1.00 3.15 N ATOM 224 CA SER A 16 -8.542 2.799 -12.370 1.00 3.43 C ATOM 225 C SER A 16 -8.407 1.270 -12.498 1.00 74.34 C ATOM 226 O SER A 16 -7.712 0.769 -13.393 1.00 50.24 O ATOM 227 CB SER A 16 -7.166 3.451 -12.334 1.00 3.43 C ATOM 228 OG SER A 16 -7.289 4.858 -12.201 1.00 12.34 O ATOM 0 H SER A 16 -8.770 3.305 -10.339 1.00 3.15 H new ATOM 0 HA SER A 16 -9.084 3.151 -13.248 1.00 3.43 H new ATOM 0 HB2 SER A 16 -6.588 3.050 -11.501 1.00 3.43 H new ATOM 0 HB3 SER A 16 -6.619 3.212 -13.246 1.00 3.43 H new ATOM 0 HG SER A 16 -6.715 5.169 -11.470 1.00 12.34 H new ATOM 234 N GLY A 17 -9.107 0.542 -11.623 1.00 23.25 N ATOM 235 CA GLY A 17 -9.197 -0.901 -11.726 1.00 53.12 C ATOM 236 C GLY A 17 -8.078 -1.628 -11.015 1.00 61.54 C ATOM 237 O GLY A 17 -7.566 -2.627 -11.531 1.00 43.42 O ATOM 0 H GLY A 17 -9.619 0.939 -10.835 1.00 23.25 H new ATOM 0 HA2 GLY A 17 -10.152 -1.228 -11.313 1.00 53.12 H new ATOM 0 HA3 GLY A 17 -9.191 -1.183 -12.779 1.00 53.12 H new ATOM 241 N TRP A 18 -7.689 -1.132 -9.841 1.00 54.22 N ATOM 242 CA TRP A 18 -6.584 -1.718 -9.085 1.00 64.21 C ATOM 243 C TRP A 18 -6.930 -1.824 -7.601 1.00 24.04 C ATOM 244 O TRP A 18 -7.311 -0.844 -6.977 1.00 23.21 O ATOM 245 CB TRP A 18 -5.298 -0.895 -9.272 1.00 24.02 C ATOM 246 CG TRP A 18 -4.738 -0.933 -10.673 1.00 30.53 C ATOM 247 CD1 TRP A 18 -4.784 0.066 -11.606 1.00 33.13 C ATOM 248 CD2 TRP A 18 -4.067 -2.031 -11.299 1.00 63.03 C ATOM 249 NE1 TRP A 18 -4.173 -0.346 -12.766 1.00 24.44 N ATOM 250 CE2 TRP A 18 -3.726 -1.628 -12.600 1.00 44.14 C ATOM 251 CE3 TRP A 18 -3.718 -3.315 -10.882 1.00 23.32 C ATOM 252 CZ2 TRP A 18 -3.054 -2.466 -13.482 1.00 21.24 C ATOM 253 CZ3 TRP A 18 -3.053 -4.141 -11.760 1.00 13.24 C ATOM 254 CH2 TRP A 18 -2.727 -3.714 -13.045 1.00 34.42 C ATOM 0 H TRP A 18 -8.123 -0.325 -9.393 1.00 54.22 H new ATOM 0 HA TRP A 18 -6.414 -2.723 -9.471 1.00 64.21 H new ATOM 0 HB2 TRP A 18 -5.501 0.141 -9.002 1.00 24.02 H new ATOM 0 HB3 TRP A 18 -4.541 -1.263 -8.580 1.00 24.02 H new ATOM 0 HD1 TRP A 18 -5.234 1.036 -11.454 1.00 33.13 H new ATOM 0 HE1 TRP A 18 -4.070 0.213 -13.613 1.00 24.44 H new ATOM 0 HE3 TRP A 18 -3.965 -3.656 -9.887 1.00 23.32 H new ATOM 0 HZ2 TRP A 18 -2.800 -2.139 -14.479 1.00 21.24 H new ATOM 0 HZ3 TRP A 18 -2.779 -5.138 -11.447 1.00 13.24 H new ATOM 0 HH2 TRP A 18 -2.204 -4.386 -13.709 1.00 34.42 H new ATOM 265 N LYS A 19 -6.822 -3.028 -7.056 1.00 53.12 N ATOM 266 CA LYS A 19 -7.060 -3.256 -5.636 1.00 23.33 C ATOM 267 C LYS A 19 -5.798 -2.959 -4.850 1.00 74.02 C ATOM 268 O LYS A 19 -4.779 -3.606 -5.052 1.00 72.00 O ATOM 269 CB LYS A 19 -7.507 -4.699 -5.381 1.00 23.03 C ATOM 270 CG LYS A 19 -7.895 -4.977 -3.942 1.00 50.10 C ATOM 271 CD LYS A 19 -8.451 -6.376 -3.774 1.00 1.24 C ATOM 272 CE LYS A 19 -9.897 -6.466 -4.215 1.00 45.30 C ATOM 273 NZ LYS A 19 -10.468 -7.800 -3.932 1.00 13.45 N ATOM 0 H LYS A 19 -6.570 -3.867 -7.579 1.00 53.12 H new ATOM 0 HA LYS A 19 -7.857 -2.588 -5.309 1.00 23.33 H new ATOM 0 HB2 LYS A 19 -8.356 -4.925 -6.026 1.00 23.03 H new ATOM 0 HB3 LYS A 19 -6.701 -5.375 -5.667 1.00 23.03 H new ATOM 0 HG2 LYS A 19 -7.024 -4.852 -3.299 1.00 50.10 H new ATOM 0 HG3 LYS A 19 -8.638 -4.248 -3.618 1.00 50.10 H new ATOM 0 HD2 LYS A 19 -7.850 -7.077 -4.353 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -8.371 -6.675 -2.729 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -10.483 -5.702 -3.703 1.00 45.30 H new ATOM 0 HE3 LYS A 19 -9.966 -6.258 -5.283 1.00 45.30 H new ATOM 0 HZ1 LYS A 19 -10.592 -8.321 -4.824 1.00 13.45 H new ATOM 0 HZ2 LYS A 19 -9.824 -8.328 -3.309 1.00 13.45 H new ATOM 0 HZ3 LYS A 19 -11.390 -7.691 -3.464 1.00 13.45 H new ATOM 287 N ASP A 20 -5.890 -1.994 -3.953 1.00 3.40 N ATOM 288 CA ASP A 20 -4.752 -1.545 -3.157 1.00 10.01 C ATOM 289 C ASP A 20 -4.311 -2.629 -2.186 1.00 12.40 C ATOM 290 O ASP A 20 -5.123 -3.156 -1.435 1.00 24.34 O ATOM 291 CB ASP A 20 -5.151 -0.319 -2.334 1.00 52.24 C ATOM 292 CG ASP A 20 -5.788 0.791 -3.141 1.00 20.24 C ATOM 293 OD1 ASP A 20 -6.979 0.656 -3.512 1.00 20.02 O ATOM 294 OD2 ASP A 20 -5.136 1.830 -3.335 1.00 14.45 O ATOM 0 H ASP A 20 -6.757 -1.495 -3.752 1.00 3.40 H new ATOM 0 HA ASP A 20 -3.938 -1.307 -3.842 1.00 10.01 H new ATOM 0 HB2 ASP A 20 -5.846 -0.630 -1.554 1.00 52.24 H new ATOM 0 HB3 ASP A 20 -4.265 0.073 -1.834 1.00 52.24 H new ATOM 299 N THR A 21 -3.028 -2.959 -2.197 1.00 72.00 N ATOM 300 CA THR A 21 -2.509 -3.949 -1.264 1.00 4.44 C ATOM 301 C THR A 21 -1.262 -3.403 -0.598 1.00 3.21 C ATOM 302 O THR A 21 -0.390 -2.819 -1.254 1.00 62.10 O ATOM 303 CB THR A 21 -2.189 -5.342 -1.898 1.00 21.22 C ATOM 304 OG1 THR A 21 -1.119 -5.260 -2.837 1.00 43.13 O ATOM 305 CG2 THR A 21 -3.388 -5.948 -2.600 1.00 41.22 C ATOM 0 H THR A 21 -2.335 -2.562 -2.832 1.00 72.00 H new ATOM 0 HA THR A 21 -3.307 -4.127 -0.543 1.00 4.44 H new ATOM 0 HB THR A 21 -1.903 -5.982 -1.063 1.00 21.22 H new ATOM 0 HG1 THR A 21 -1.043 -4.340 -3.167 1.00 43.13 H new ATOM 0 HG21 THR A 21 -3.112 -6.914 -3.023 1.00 41.22 H new ATOM 0 HG22 THR A 21 -4.199 -6.083 -1.884 1.00 41.22 H new ATOM 0 HG23 THR A 21 -3.716 -5.283 -3.399 1.00 41.22 H new ATOM 313 N VAL A 22 -1.198 -3.583 0.708 1.00 72.13 N ATOM 314 CA VAL A 22 -0.068 -3.125 1.495 1.00 74.31 C ATOM 315 C VAL A 22 0.502 -4.314 2.250 1.00 65.13 C ATOM 316 O VAL A 22 -0.112 -4.831 3.186 1.00 30.34 O ATOM 317 CB VAL A 22 -0.445 -1.966 2.467 1.00 42.44 C ATOM 318 CG1 VAL A 22 0.780 -1.473 3.217 1.00 55.02 C ATOM 319 CG2 VAL A 22 -1.081 -0.800 1.717 1.00 61.03 C ATOM 0 H VAL A 22 -1.925 -4.049 1.252 1.00 72.13 H new ATOM 0 HA VAL A 22 0.683 -2.712 0.822 1.00 74.31 H new ATOM 0 HB VAL A 22 -1.169 -2.362 3.179 1.00 42.44 H new ATOM 0 HG11 VAL A 22 0.494 -0.664 3.890 1.00 55.02 H new ATOM 0 HG12 VAL A 22 1.207 -2.292 3.796 1.00 55.02 H new ATOM 0 HG13 VAL A 22 1.520 -1.108 2.505 1.00 55.02 H new ATOM 0 HG21 VAL A 22 -1.333 -0.008 2.422 1.00 61.03 H new ATOM 0 HG22 VAL A 22 -0.379 -0.417 0.977 1.00 61.03 H new ATOM 0 HG23 VAL A 22 -1.987 -1.141 1.216 1.00 61.03 H new ATOM 329 N THR A 23 1.656 -4.762 1.794 1.00 61.04 N ATOM 330 CA THR A 23 2.287 -5.950 2.317 1.00 32.31 C ATOM 331 C THR A 23 3.419 -5.571 3.276 1.00 41.03 C ATOM 332 O THR A 23 4.446 -5.089 2.856 1.00 44.41 O ATOM 333 CB THR A 23 2.840 -6.783 1.146 1.00 73.55 C ATOM 334 OG1 THR A 23 1.869 -6.866 0.090 1.00 25.33 O ATOM 335 CG2 THR A 23 3.202 -8.178 1.598 1.00 51.32 C ATOM 0 H THR A 23 2.181 -4.307 1.047 1.00 61.04 H new ATOM 0 HA THR A 23 1.553 -6.538 2.868 1.00 32.31 H new ATOM 0 HB THR A 23 3.738 -6.286 0.779 1.00 73.55 H new ATOM 0 HG1 THR A 23 2.327 -6.858 -0.777 1.00 25.33 H new ATOM 0 HG21 THR A 23 3.590 -8.745 0.752 1.00 51.32 H new ATOM 0 HG22 THR A 23 3.962 -8.122 2.377 1.00 51.32 H new ATOM 0 HG23 THR A 23 2.315 -8.675 1.992 1.00 51.32 H new ATOM 343 N ILE A 24 3.227 -5.816 4.553 1.00 43.14 N ATOM 344 CA ILE A 24 4.185 -5.421 5.579 1.00 32.53 C ATOM 345 C ILE A 24 5.156 -6.567 5.848 1.00 55.31 C ATOM 346 O ILE A 24 4.766 -7.601 6.376 1.00 32.41 O ATOM 347 CB ILE A 24 3.454 -5.044 6.898 1.00 2.33 C ATOM 348 CG1 ILE A 24 2.355 -3.999 6.635 1.00 23.15 C ATOM 349 CG2 ILE A 24 4.438 -4.549 7.956 1.00 24.22 C ATOM 350 CD1 ILE A 24 2.860 -2.639 6.179 1.00 55.21 C ATOM 0 H ILE A 24 2.403 -6.295 4.917 1.00 43.14 H new ATOM 0 HA ILE A 24 4.734 -4.550 5.220 1.00 32.53 H new ATOM 0 HB ILE A 24 2.979 -5.946 7.285 1.00 2.33 H new ATOM 0 HG12 ILE A 24 1.676 -4.390 5.878 1.00 23.15 H new ATOM 0 HG13 ILE A 24 1.774 -3.867 7.548 1.00 23.15 H new ATOM 0 HG21 ILE A 24 3.896 -4.293 8.866 1.00 24.22 H new ATOM 0 HG22 ILE A 24 5.163 -5.333 8.174 1.00 24.22 H new ATOM 0 HG23 ILE A 24 4.959 -3.667 7.584 1.00 24.22 H new ATOM 0 HD11 ILE A 24 2.013 -1.971 6.019 1.00 55.21 H new ATOM 0 HD12 ILE A 24 3.514 -2.219 6.943 1.00 55.21 H new ATOM 0 HD13 ILE A 24 3.415 -2.751 5.247 1.00 55.21 H new ATOM 362 N GLU A 25 6.413 -6.367 5.502 1.00 54.11 N ATOM 363 CA GLU A 25 7.424 -7.386 5.706 1.00 24.14 C ATOM 364 C GLU A 25 8.186 -7.123 6.998 1.00 13.44 C ATOM 365 O GLU A 25 8.874 -6.111 7.154 1.00 51.22 O ATOM 366 CB GLU A 25 8.353 -7.481 4.493 1.00 72.23 C ATOM 367 CG GLU A 25 9.435 -8.543 4.632 1.00 11.32 C ATOM 368 CD GLU A 25 9.864 -9.116 3.301 1.00 43.33 C ATOM 369 OE1 GLU A 25 10.489 -8.385 2.513 1.00 42.24 O ATOM 370 OE2 GLU A 25 9.562 -10.301 3.032 1.00 35.03 O ATOM 0 H GLU A 25 6.759 -5.506 5.078 1.00 54.11 H new ATOM 0 HA GLU A 25 6.936 -8.355 5.807 1.00 24.14 H new ATOM 0 HB2 GLU A 25 7.757 -7.696 3.606 1.00 72.23 H new ATOM 0 HB3 GLU A 25 8.826 -6.512 4.332 1.00 72.23 H new ATOM 0 HG2 GLU A 25 10.301 -8.110 5.133 1.00 11.32 H new ATOM 0 HG3 GLU A 25 9.068 -9.348 5.268 1.00 11.32 H new ATOM 377 N VAL A 26 8.023 -8.047 7.922 1.00 50.34 N ATOM 378 CA VAL A 26 8.593 -7.955 9.251 1.00 74.43 C ATOM 379 C VAL A 26 9.733 -8.977 9.404 1.00 70.05 C ATOM 380 O VAL A 26 9.626 -10.111 8.957 1.00 23.44 O ATOM 381 CB VAL A 26 7.479 -8.165 10.332 1.00 11.35 C ATOM 382 CG1 VAL A 26 8.042 -8.166 11.739 1.00 64.34 C ATOM 383 CG2 VAL A 26 6.411 -7.081 10.211 1.00 13.33 C ATOM 0 H VAL A 26 7.482 -8.898 7.768 1.00 50.34 H new ATOM 0 HA VAL A 26 9.013 -6.960 9.398 1.00 74.43 H new ATOM 0 HB VAL A 26 7.035 -9.143 10.148 1.00 11.35 H new ATOM 0 HG11 VAL A 26 7.233 -8.315 12.454 1.00 64.34 H new ATOM 0 HG12 VAL A 26 8.768 -8.972 11.840 1.00 64.34 H new ATOM 0 HG13 VAL A 26 8.530 -7.212 11.936 1.00 64.34 H new ATOM 0 HG21 VAL A 26 5.644 -7.240 10.969 1.00 13.33 H new ATOM 0 HG22 VAL A 26 6.868 -6.102 10.357 1.00 13.33 H new ATOM 0 HG23 VAL A 26 5.958 -7.126 9.221 1.00 13.33 H new ATOM 393 N LYS A 27 10.827 -8.542 10.001 1.00 71.55 N ATOM 394 CA LYS A 27 11.971 -9.388 10.278 1.00 33.14 C ATOM 395 C LYS A 27 12.604 -8.907 11.576 1.00 74.44 C ATOM 396 O LYS A 27 12.754 -7.696 11.770 1.00 12.32 O ATOM 397 CB LYS A 27 12.964 -9.320 9.113 1.00 21.25 C ATOM 398 CG LYS A 27 14.277 -10.041 9.335 1.00 72.45 C ATOM 399 CD LYS A 27 15.270 -9.680 8.254 1.00 33.41 C ATOM 400 CE LYS A 27 16.635 -10.274 8.524 1.00 74.34 C ATOM 401 NZ LYS A 27 17.623 -9.867 7.494 1.00 42.33 N ATOM 0 H LYS A 27 10.947 -7.578 10.311 1.00 71.55 H new ATOM 0 HA LYS A 27 11.668 -10.429 10.387 1.00 33.14 H new ATOM 0 HB2 LYS A 27 12.486 -9.736 8.226 1.00 21.25 H new ATOM 0 HB3 LYS A 27 13.176 -8.272 8.899 1.00 21.25 H new ATOM 0 HG2 LYS A 27 14.682 -9.777 10.312 1.00 72.45 H new ATOM 0 HG3 LYS A 27 14.111 -11.118 9.339 1.00 72.45 H new ATOM 0 HD2 LYS A 27 14.903 -10.034 7.291 1.00 33.41 H new ATOM 0 HD3 LYS A 27 15.353 -8.595 8.184 1.00 33.41 H new ATOM 0 HE2 LYS A 27 16.982 -9.957 9.507 1.00 74.34 H new ATOM 0 HE3 LYS A 27 16.561 -11.361 8.548 1.00 74.34 H new ATOM 0 HZ1 LYS A 27 18.547 -10.293 7.712 1.00 42.33 H new ATOM 0 HZ2 LYS A 27 17.304 -10.192 6.559 1.00 42.33 H new ATOM 0 HZ3 LYS A 27 17.712 -8.831 7.489 1.00 42.33 H new ATOM 415 N ASN A 28 12.923 -9.867 12.465 1.00 2.41 N ATOM 416 CA ASN A 28 13.524 -9.602 13.791 1.00 23.34 C ATOM 417 C ASN A 28 12.546 -8.861 14.720 1.00 70.14 C ATOM 418 O ASN A 28 12.962 -8.119 15.613 1.00 63.21 O ATOM 419 CB ASN A 28 14.857 -8.824 13.667 1.00 44.22 C ATOM 420 CG ASN A 28 15.951 -9.607 12.962 1.00 0.44 C ATOM 421 OD1 ASN A 28 16.026 -10.829 13.066 1.00 71.53 O ATOM 422 ND2 ASN A 28 16.798 -8.903 12.227 1.00 51.51 N ATOM 0 H ASN A 28 12.770 -10.859 12.283 1.00 2.41 H new ATOM 0 HA ASN A 28 13.742 -10.571 14.240 1.00 23.34 H new ATOM 0 HB2 ASN A 28 14.678 -7.896 13.124 1.00 44.22 H new ATOM 0 HB3 ASN A 28 15.202 -8.549 14.664 1.00 44.22 H new ATOM 0 HD21 ASN A 28 17.548 -9.374 11.721 1.00 51.51 H new ATOM 0 HD22 ASN A 28 16.701 -7.889 12.167 1.00 51.51 H new ATOM 429 N GLY A 29 11.240 -9.099 14.521 1.00 61.15 N ATOM 430 CA GLY A 29 10.219 -8.458 15.336 1.00 52.24 C ATOM 431 C GLY A 29 9.664 -7.163 14.752 1.00 21.10 C ATOM 432 O GLY A 29 8.526 -6.796 15.042 1.00 51.43 O ATOM 0 H GLY A 29 10.877 -9.728 13.805 1.00 61.15 H new ATOM 0 HA2 GLY A 29 9.396 -9.158 15.482 1.00 52.24 H new ATOM 0 HA3 GLY A 29 10.637 -8.248 16.321 1.00 52.24 H new ATOM 436 N LYS A 30 10.440 -6.492 13.903 1.00 21.33 N ATOM 437 CA LYS A 30 10.094 -5.153 13.434 1.00 61.11 C ATOM 438 C LYS A 30 9.994 -5.094 11.915 1.00 72.32 C ATOM 439 O LYS A 30 10.475 -5.985 11.231 1.00 44.22 O ATOM 440 CB LYS A 30 11.134 -4.148 13.937 1.00 63.24 C ATOM 441 CG LYS A 30 12.573 -4.466 13.527 1.00 22.31 C ATOM 442 CD LYS A 30 13.550 -3.445 14.088 1.00 33.22 C ATOM 443 CE LYS A 30 13.601 -3.491 15.607 1.00 22.54 C ATOM 444 NZ LYS A 30 14.308 -2.318 16.171 1.00 64.25 N ATOM 0 H LYS A 30 11.315 -6.856 13.525 1.00 21.33 H new ATOM 0 HA LYS A 30 9.113 -4.897 13.835 1.00 61.11 H new ATOM 0 HB2 LYS A 30 10.874 -3.157 13.564 1.00 63.24 H new ATOM 0 HB3 LYS A 30 11.081 -4.103 15.025 1.00 63.24 H new ATOM 0 HG2 LYS A 30 12.842 -5.461 13.881 1.00 22.31 H new ATOM 0 HG3 LYS A 30 12.647 -4.483 12.440 1.00 22.31 H new ATOM 0 HD2 LYS A 30 14.545 -3.633 13.685 1.00 33.22 H new ATOM 0 HD3 LYS A 30 13.259 -2.446 13.764 1.00 33.22 H new ATOM 0 HE2 LYS A 30 12.586 -3.529 16.003 1.00 22.54 H new ATOM 0 HE3 LYS A 30 14.102 -4.405 15.926 1.00 22.54 H new ATOM 0 HZ1 LYS A 30 14.321 -2.387 17.209 1.00 64.25 H new ATOM 0 HZ2 LYS A 30 15.284 -2.296 15.813 1.00 64.25 H new ATOM 0 HZ3 LYS A 30 13.816 -1.447 15.888 1.00 64.25 H new ATOM 458 N ILE A 31 9.371 -4.036 11.394 1.00 65.31 N ATOM 459 CA ILE A 31 9.218 -3.862 9.949 1.00 42.04 C ATOM 460 C ILE A 31 10.573 -3.549 9.314 1.00 70.23 C ATOM 461 O ILE A 31 11.256 -2.612 9.708 1.00 2.32 O ATOM 462 CB ILE A 31 8.214 -2.727 9.602 1.00 72.10 C ATOM 463 CG1 ILE A 31 6.896 -2.912 10.373 1.00 73.23 C ATOM 464 CG2 ILE A 31 7.951 -2.692 8.096 1.00 53.32 C ATOM 465 CD1 ILE A 31 5.926 -1.752 10.228 1.00 40.24 C ATOM 0 H ILE A 31 8.964 -3.286 11.952 1.00 65.31 H new ATOM 0 HA ILE A 31 8.823 -4.796 9.550 1.00 42.04 H new ATOM 0 HB ILE A 31 8.654 -1.776 9.901 1.00 72.10 H new ATOM 0 HG12 ILE A 31 6.410 -3.824 10.027 1.00 73.23 H new ATOM 0 HG13 ILE A 31 7.122 -3.053 11.430 1.00 73.23 H new ATOM 0 HG21 ILE A 31 7.246 -1.892 7.868 1.00 53.32 H new ATOM 0 HG22 ILE A 31 8.887 -2.512 7.567 1.00 53.32 H new ATOM 0 HG23 ILE A 31 7.532 -3.647 7.778 1.00 53.32 H new ATOM 0 HD11 ILE A 31 5.022 -1.960 10.801 1.00 40.24 H new ATOM 0 HD12 ILE A 31 6.391 -0.840 10.602 1.00 40.24 H new ATOM 0 HD13 ILE A 31 5.668 -1.623 9.177 1.00 40.24 H new ATOM 477 N VAL A 32 10.975 -4.354 8.355 1.00 13.44 N ATOM 478 CA VAL A 32 12.214 -4.094 7.648 1.00 51.33 C ATOM 479 C VAL A 32 11.933 -3.560 6.250 1.00 13.23 C ATOM 480 O VAL A 32 12.742 -2.824 5.688 1.00 20.53 O ATOM 481 CB VAL A 32 13.140 -5.335 7.580 1.00 63.05 C ATOM 482 CG1 VAL A 32 13.650 -5.685 8.969 1.00 54.14 C ATOM 483 CG2 VAL A 32 12.445 -6.537 6.944 1.00 52.41 C ATOM 0 H VAL A 32 10.470 -5.185 8.048 1.00 13.44 H new ATOM 0 HA VAL A 32 12.747 -3.335 8.220 1.00 51.33 H new ATOM 0 HB VAL A 32 13.986 -5.080 6.942 1.00 63.05 H new ATOM 0 HG11 VAL A 32 14.299 -6.558 8.909 1.00 54.14 H new ATOM 0 HG12 VAL A 32 14.211 -4.843 9.373 1.00 54.14 H new ATOM 0 HG13 VAL A 32 12.805 -5.905 9.622 1.00 54.14 H new ATOM 0 HG21 VAL A 32 13.132 -7.383 6.918 1.00 52.41 H new ATOM 0 HG22 VAL A 32 11.566 -6.802 7.531 1.00 52.41 H new ATOM 0 HG23 VAL A 32 12.140 -6.286 5.928 1.00 52.41 H new ATOM 493 N SER A 33 10.768 -3.913 5.707 1.00 13.11 N ATOM 494 CA SER A 33 10.401 -3.554 4.347 1.00 51.41 C ATOM 495 C SER A 33 8.893 -3.529 4.197 1.00 45.54 C ATOM 496 O SER A 33 8.167 -4.042 5.040 1.00 13.24 O ATOM 497 CB SER A 33 10.992 -4.546 3.329 1.00 72.01 C ATOM 498 OG SER A 33 12.404 -4.426 3.239 1.00 50.43 O ATOM 0 H SER A 33 10.058 -4.454 6.200 1.00 13.11 H new ATOM 0 HA SER A 33 10.807 -2.562 4.148 1.00 51.41 H new ATOM 0 HB2 SER A 33 10.731 -5.564 3.619 1.00 72.01 H new ATOM 0 HB3 SER A 33 10.548 -4.370 2.349 1.00 72.01 H new ATOM 0 HG SER A 33 12.721 -3.785 3.909 1.00 50.43 H new ATOM 504 N VAL A 34 8.430 -2.923 3.127 1.00 53.34 N ATOM 505 CA VAL A 34 7.031 -2.970 2.766 1.00 12.15 C ATOM 506 C VAL A 34 6.906 -3.076 1.241 1.00 24.21 C ATOM 507 O VAL A 34 7.614 -2.414 0.482 1.00 21.23 O ATOM 508 CB VAL A 34 6.227 -1.768 3.374 1.00 22.04 C ATOM 509 CG1 VAL A 34 6.851 -0.450 3.013 1.00 55.04 C ATOM 510 CG2 VAL A 34 4.757 -1.777 2.966 1.00 3.55 C ATOM 0 H VAL A 34 9.011 -2.385 2.484 1.00 53.34 H new ATOM 0 HA VAL A 34 6.575 -3.859 3.201 1.00 12.15 H new ATOM 0 HB VAL A 34 6.270 -1.895 4.456 1.00 22.04 H new ATOM 0 HG11 VAL A 34 6.268 0.361 3.451 1.00 55.04 H new ATOM 0 HG12 VAL A 34 7.870 -0.413 3.397 1.00 55.04 H new ATOM 0 HG13 VAL A 34 6.868 -0.340 1.929 1.00 55.04 H new ATOM 0 HG21 VAL A 34 4.249 -0.923 3.415 1.00 3.55 H new ATOM 0 HG22 VAL A 34 4.680 -1.715 1.880 1.00 3.55 H new ATOM 0 HG23 VAL A 34 4.289 -2.699 3.310 1.00 3.55 H new ATOM 520 N ASP A 35 6.045 -3.981 0.837 1.00 61.44 N ATOM 521 CA ASP A 35 5.787 -4.290 -0.548 1.00 30.02 C ATOM 522 C ASP A 35 4.518 -3.578 -0.989 1.00 21.01 C ATOM 523 O ASP A 35 3.477 -3.644 -0.327 1.00 44.05 O ATOM 524 CB ASP A 35 5.681 -5.814 -0.727 1.00 74.51 C ATOM 525 CG ASP A 35 5.211 -6.231 -2.107 1.00 3.34 C ATOM 526 OD1 ASP A 35 5.956 -6.025 -3.080 1.00 72.45 O ATOM 527 OD2 ASP A 35 4.097 -6.788 -2.210 1.00 75.22 O ATOM 0 H ASP A 35 5.488 -4.539 1.484 1.00 61.44 H new ATOM 0 HA ASP A 35 6.607 -3.941 -1.175 1.00 30.02 H new ATOM 0 HB2 ASP A 35 6.655 -6.263 -0.533 1.00 74.51 H new ATOM 0 HB3 ASP A 35 4.992 -6.212 0.018 1.00 74.51 H new ATOM 532 N TRP A 36 4.639 -2.872 -2.086 1.00 53.44 N ATOM 533 CA TRP A 36 3.566 -2.069 -2.627 1.00 72.13 C ATOM 534 C TRP A 36 3.116 -2.646 -3.948 1.00 52.12 C ATOM 535 O TRP A 36 3.880 -2.713 -4.915 1.00 41.41 O ATOM 536 CB TRP A 36 3.988 -0.589 -2.761 1.00 23.31 C ATOM 537 CG TRP A 36 5.467 -0.359 -2.977 1.00 72.41 C ATOM 538 CD1 TRP A 36 6.419 -0.310 -2.010 1.00 73.01 C ATOM 539 CD2 TRP A 36 6.155 -0.131 -4.219 1.00 50.01 C ATOM 540 NE1 TRP A 36 7.652 -0.107 -2.563 1.00 44.21 N ATOM 541 CE2 TRP A 36 7.519 0.022 -3.912 1.00 0.30 C ATOM 542 CE3 TRP A 36 5.759 -0.046 -5.552 1.00 65.34 C ATOM 543 CZ2 TRP A 36 8.484 0.249 -4.887 1.00 44.43 C ATOM 544 CZ3 TRP A 36 6.718 0.181 -6.519 1.00 65.53 C ATOM 545 CH2 TRP A 36 8.064 0.328 -6.181 1.00 65.21 C ATOM 0 H TRP A 36 5.497 -2.837 -2.637 1.00 53.44 H new ATOM 0 HA TRP A 36 2.723 -2.093 -1.937 1.00 72.13 H new ATOM 0 HB2 TRP A 36 3.442 -0.146 -3.594 1.00 23.31 H new ATOM 0 HB3 TRP A 36 3.681 -0.057 -1.860 1.00 23.31 H new ATOM 0 HD1 TRP A 36 6.228 -0.417 -0.952 1.00 73.01 H new ATOM 0 HE1 TRP A 36 8.531 -0.060 -2.048 1.00 44.21 H new ATOM 0 HE3 TRP A 36 4.720 -0.156 -5.824 1.00 65.34 H new ATOM 0 HZ2 TRP A 36 9.527 0.359 -4.629 1.00 44.43 H new ATOM 0 HZ3 TRP A 36 6.421 0.246 -7.555 1.00 65.53 H new ATOM 0 HH2 TRP A 36 8.788 0.508 -6.962 1.00 65.21 H new ATOM 556 N ASN A 37 1.865 -3.066 -3.981 1.00 44.54 N ATOM 557 CA ASN A 37 1.331 -3.774 -5.125 1.00 11.20 C ATOM 558 C ASN A 37 -0.167 -3.471 -5.282 1.00 14.14 C ATOM 559 O ASN A 37 -0.778 -2.846 -4.410 1.00 41.44 O ATOM 560 CB ASN A 37 1.606 -5.274 -4.908 1.00 34.41 C ATOM 561 CG ASN A 37 1.420 -6.139 -6.135 1.00 25.21 C ATOM 562 OD1 ASN A 37 1.527 -5.677 -7.272 1.00 40.21 O ATOM 563 ND2 ASN A 37 1.164 -7.411 -5.910 1.00 65.21 N ATOM 0 H ASN A 37 1.197 -2.927 -3.222 1.00 44.54 H new ATOM 0 HA ASN A 37 1.808 -3.453 -6.051 1.00 11.20 H new ATOM 0 HB2 ASN A 37 2.628 -5.393 -4.549 1.00 34.41 H new ATOM 0 HB3 ASN A 37 0.947 -5.639 -4.120 1.00 34.41 H new ATOM 0 HD21 ASN A 37 1.047 -8.054 -6.693 1.00 65.21 H new ATOM 0 HD22 ASN A 37 1.083 -7.753 -4.953 1.00 65.21 H new ATOM 570 N ALA A 38 -0.733 -3.885 -6.409 1.00 13.43 N ATOM 571 CA ALA A 38 -2.163 -3.793 -6.655 1.00 1.11 C ATOM 572 C ALA A 38 -2.641 -5.039 -7.399 1.00 32.31 C ATOM 573 O ALA A 38 -1.826 -5.809 -7.882 1.00 14.11 O ATOM 574 CB ALA A 38 -2.486 -2.535 -7.438 1.00 51.21 C ATOM 0 H ALA A 38 -0.208 -4.296 -7.181 1.00 13.43 H new ATOM 0 HA ALA A 38 -2.687 -3.737 -5.701 1.00 1.11 H new ATOM 0 HB1 ALA A 38 -3.560 -2.482 -7.614 1.00 51.21 H new ATOM 0 HB2 ALA A 38 -2.167 -1.661 -6.870 1.00 51.21 H new ATOM 0 HB3 ALA A 38 -1.963 -2.557 -8.394 1.00 51.21 H new ATOM 580 N ILE A 39 -3.956 -5.255 -7.460 1.00 72.44 N ATOM 581 CA ILE A 39 -4.519 -6.422 -8.162 1.00 75.42 C ATOM 582 C ILE A 39 -5.470 -5.939 -9.261 1.00 63.14 C ATOM 583 O ILE A 39 -6.255 -5.026 -9.029 1.00 1.13 O ATOM 584 CB ILE A 39 -5.294 -7.376 -7.201 1.00 54.42 C ATOM 585 CG1 ILE A 39 -4.519 -7.604 -5.895 1.00 71.14 C ATOM 586 CG2 ILE A 39 -5.551 -8.722 -7.886 1.00 11.11 C ATOM 587 CD1 ILE A 39 -5.328 -8.271 -4.804 1.00 22.02 C ATOM 0 H ILE A 39 -4.653 -4.643 -7.035 1.00 72.44 H new ATOM 0 HA ILE A 39 -3.686 -6.983 -8.586 1.00 75.42 H new ATOM 0 HB ILE A 39 -6.245 -6.902 -6.958 1.00 54.42 H new ATOM 0 HG12 ILE A 39 -3.642 -8.216 -6.108 1.00 71.14 H new ATOM 0 HG13 ILE A 39 -4.156 -6.644 -5.528 1.00 71.14 H new ATOM 0 HG21 ILE A 39 -6.092 -9.379 -7.205 1.00 11.11 H new ATOM 0 HG22 ILE A 39 -6.144 -8.564 -8.787 1.00 11.11 H new ATOM 0 HG23 ILE A 39 -4.600 -9.182 -8.154 1.00 11.11 H new ATOM 0 HD11 ILE A 39 -4.708 -8.396 -3.916 1.00 22.02 H new ATOM 0 HD12 ILE A 39 -6.191 -7.651 -4.560 1.00 22.02 H new ATOM 0 HD13 ILE A 39 -5.669 -9.247 -5.149 1.00 22.02 H new ATOM 599 N ASN A 40 -5.396 -6.545 -10.448 1.00 10.51 N ATOM 600 CA ASN A 40 -6.206 -6.114 -11.593 1.00 10.21 C ATOM 601 C ASN A 40 -7.687 -6.486 -11.413 1.00 42.33 C ATOM 602 O ASN A 40 -8.019 -7.621 -11.057 1.00 21.45 O ATOM 603 CB ASN A 40 -5.640 -6.717 -12.890 1.00 43.30 C ATOM 604 CG ASN A 40 -6.252 -6.130 -14.149 1.00 51.21 C ATOM 605 OD1 ASN A 40 -7.220 -6.660 -14.678 1.00 32.34 O ATOM 606 ND2 ASN A 40 -5.680 -5.035 -14.631 1.00 63.24 N ATOM 0 H ASN A 40 -4.783 -7.337 -10.643 1.00 10.51 H new ATOM 0 HA ASN A 40 -6.155 -5.027 -11.657 1.00 10.21 H new ATOM 0 HB2 ASN A 40 -4.561 -6.561 -12.913 1.00 43.30 H new ATOM 0 HB3 ASN A 40 -5.806 -7.794 -12.883 1.00 43.30 H new ATOM 0 HD21 ASN A 40 -6.046 -4.599 -15.477 1.00 63.24 H new ATOM 0 HD22 ASN A 40 -4.874 -4.629 -14.155 1.00 63.24 H new ATOM 613 N LYS A 41 -8.554 -5.497 -11.668 1.00 43.24 N ATOM 614 CA LYS A 41 -10.008 -5.610 -11.473 1.00 64.42 C ATOM 615 C LYS A 41 -10.666 -6.547 -12.487 1.00 1.24 C ATOM 616 O LYS A 41 -11.564 -7.317 -12.133 1.00 52.15 O ATOM 617 CB LYS A 41 -10.645 -4.218 -11.583 1.00 22.14 C ATOM 618 CG LYS A 41 -12.146 -4.189 -11.356 1.00 55.21 C ATOM 619 CD LYS A 41 -12.735 -2.834 -11.694 1.00 15.32 C ATOM 620 CE LYS A 41 -14.241 -2.839 -11.523 1.00 22.20 C ATOM 621 NZ LYS A 41 -14.849 -1.542 -11.911 1.00 64.34 N ATOM 0 H LYS A 41 -8.263 -4.585 -12.020 1.00 43.24 H new ATOM 0 HA LYS A 41 -10.171 -6.034 -10.482 1.00 64.42 H new ATOM 0 HB2 LYS A 41 -10.169 -3.557 -10.859 1.00 22.14 H new ATOM 0 HB3 LYS A 41 -10.433 -3.813 -12.572 1.00 22.14 H new ATOM 0 HG2 LYS A 41 -12.622 -4.956 -11.967 1.00 55.21 H new ATOM 0 HG3 LYS A 41 -12.362 -4.431 -10.315 1.00 55.21 H new ATOM 0 HD2 LYS A 41 -12.295 -2.072 -11.051 1.00 15.32 H new ATOM 0 HD3 LYS A 41 -12.483 -2.570 -12.721 1.00 15.32 H new ATOM 0 HE2 LYS A 41 -14.672 -3.637 -12.128 1.00 22.20 H new ATOM 0 HE3 LYS A 41 -14.487 -3.058 -10.484 1.00 22.20 H new ATOM 0 HZ1 LYS A 41 -15.880 -1.588 -11.779 1.00 64.34 H new ATOM 0 HZ2 LYS A 41 -14.458 -0.784 -11.317 1.00 64.34 H new ATOM 0 HZ3 LYS A 41 -14.637 -1.344 -12.910 1.00 64.34 H new ATOM 635 N ASP A 42 -10.195 -6.473 -13.735 1.00 43.23 N ATOM 636 CA ASP A 42 -10.797 -7.191 -14.859 1.00 54.52 C ATOM 637 C ASP A 42 -10.604 -8.704 -14.722 1.00 2.24 C ATOM 638 O ASP A 42 -11.523 -9.481 -14.986 1.00 41.40 O ATOM 639 CB ASP A 42 -10.197 -6.679 -16.171 1.00 41.33 C ATOM 640 CG ASP A 42 -10.810 -7.328 -17.392 1.00 61.44 C ATOM 641 OD1 ASP A 42 -11.935 -6.946 -17.766 1.00 63.34 O ATOM 642 OD2 ASP A 42 -10.162 -8.214 -17.993 1.00 2.04 O ATOM 0 H ASP A 42 -9.383 -5.912 -13.994 1.00 43.23 H new ATOM 0 HA ASP A 42 -11.871 -7.003 -14.860 1.00 54.52 H new ATOM 0 HB2 ASP A 42 -10.336 -5.600 -16.231 1.00 41.33 H new ATOM 0 HB3 ASP A 42 -9.123 -6.862 -16.169 1.00 41.33 H new ATOM 647 N GLY A 43 -9.421 -9.106 -14.279 1.00 31.31 N ATOM 648 CA GLY A 43 -9.162 -10.511 -14.031 1.00 60.42 C ATOM 649 C GLY A 43 -7.733 -10.921 -14.318 1.00 44.03 C ATOM 650 O GLY A 43 -7.431 -12.114 -14.342 1.00 1.21 O ATOM 0 H GLY A 43 -8.635 -8.485 -14.087 1.00 31.31 H new ATOM 0 HA2 GLY A 43 -9.395 -10.737 -12.990 1.00 60.42 H new ATOM 0 HA3 GLY A 43 -9.834 -11.110 -14.645 1.00 60.42 H new ATOM 654 N GLY A 44 -6.852 -9.939 -14.533 1.00 21.42 N ATOM 655 CA GLY A 44 -5.443 -10.222 -14.776 1.00 4.12 C ATOM 656 C GLY A 44 -4.647 -10.460 -13.505 1.00 52.30 C ATOM 657 O GLY A 44 -5.202 -10.814 -12.457 1.00 50.14 O ATOM 0 H GLY A 44 -7.092 -8.948 -14.543 1.00 21.42 H new ATOM 0 HA2 GLY A 44 -5.362 -11.100 -15.416 1.00 4.12 H new ATOM 0 HA3 GLY A 44 -5.001 -9.388 -15.321 1.00 4.12 H new ATOM 661 N ASP A 45 -3.343 -10.240 -13.589 1.00 41.21 N ATOM 662 CA ASP A 45 -2.439 -10.549 -12.488 1.00 54.11 C ATOM 663 C ASP A 45 -2.223 -9.306 -11.611 1.00 1.21 C ATOM 664 O ASP A 45 -2.987 -8.338 -11.683 1.00 11.25 O ATOM 665 CB ASP A 45 -1.109 -11.074 -13.048 1.00 31.43 C ATOM 666 CG ASP A 45 -0.548 -12.233 -12.237 1.00 70.20 C ATOM 667 OD1 ASP A 45 0.106 -11.986 -11.204 1.00 72.11 O ATOM 668 OD2 ASP A 45 -0.766 -13.396 -12.630 1.00 50.21 O ATOM 0 H ASP A 45 -2.885 -9.847 -14.411 1.00 41.21 H new ATOM 0 HA ASP A 45 -2.880 -11.324 -11.861 1.00 54.11 H new ATOM 0 HB2 ASP A 45 -1.255 -11.395 -14.080 1.00 31.43 H new ATOM 0 HB3 ASP A 45 -0.381 -10.263 -13.066 1.00 31.43 H new ATOM 673 N ASP A 46 -1.190 -9.340 -10.780 1.00 12.35 N ATOM 674 CA ASP A 46 -0.846 -8.218 -9.914 1.00 40.10 C ATOM 675 C ASP A 46 -0.147 -7.126 -10.712 1.00 51.33 C ATOM 676 O ASP A 46 0.348 -7.378 -11.803 1.00 25.23 O ATOM 677 CB ASP A 46 0.057 -8.684 -8.775 1.00 63.02 C ATOM 678 CG ASP A 46 -0.665 -9.548 -7.762 1.00 54.12 C ATOM 679 OD1 ASP A 46 -1.485 -9.014 -6.992 1.00 24.40 O ATOM 680 OD2 ASP A 46 -0.387 -10.761 -7.712 1.00 44.41 O ATOM 0 H ASP A 46 -0.568 -10.143 -10.686 1.00 12.35 H new ATOM 0 HA ASP A 46 -1.767 -7.814 -9.494 1.00 40.10 H new ATOM 0 HB2 ASP A 46 0.896 -9.244 -9.189 1.00 63.02 H new ATOM 0 HB3 ASP A 46 0.474 -7.813 -8.270 1.00 63.02 H new ATOM 685 N LYS A 47 -0.115 -5.920 -10.161 1.00 62.43 N ATOM 686 CA LYS A 47 0.462 -4.758 -10.823 1.00 54.52 C ATOM 687 C LYS A 47 1.984 -4.863 -10.959 1.00 24.20 C ATOM 688 O LYS A 47 2.554 -4.338 -11.910 1.00 23.35 O ATOM 689 CB LYS A 47 0.065 -3.500 -10.048 1.00 11.54 C ATOM 690 CG LYS A 47 0.423 -2.219 -10.756 1.00 43.44 C ATOM 691 CD LYS A 47 -0.563 -1.118 -10.456 1.00 51.04 C ATOM 692 CE LYS A 47 -0.164 0.133 -11.193 1.00 51.54 C ATOM 693 NZ LYS A 47 -1.295 1.068 -11.416 1.00 22.21 N ATOM 0 H LYS A 47 -0.492 -5.719 -9.235 1.00 62.43 H new ATOM 0 HA LYS A 47 0.069 -4.707 -11.838 1.00 54.52 H new ATOM 0 HB2 LYS A 47 -1.010 -3.518 -9.868 1.00 11.54 H new ATOM 0 HB3 LYS A 47 0.552 -3.515 -9.073 1.00 11.54 H new ATOM 0 HG2 LYS A 47 1.422 -1.904 -10.454 1.00 43.44 H new ATOM 0 HG3 LYS A 47 0.455 -2.395 -11.831 1.00 43.44 H new ATOM 0 HD2 LYS A 47 -1.566 -1.423 -10.754 1.00 51.04 H new ATOM 0 HD3 LYS A 47 -0.594 -0.926 -9.383 1.00 51.04 H new ATOM 0 HE2 LYS A 47 0.616 0.645 -10.630 1.00 51.54 H new ATOM 0 HE3 LYS A 47 0.266 -0.142 -12.156 1.00 51.54 H new ATOM 0 HZ1 LYS A 47 -1.232 1.466 -12.375 1.00 22.21 H new ATOM 0 HZ2 LYS A 47 -2.194 0.556 -11.312 1.00 22.21 H new ATOM 0 HZ3 LYS A 47 -1.252 1.838 -10.718 1.00 22.21 H new ATOM 707 N ASP A 48 2.625 -5.554 -10.018 1.00 43.13 N ATOM 708 CA ASP A 48 4.062 -5.813 -10.080 1.00 30.30 C ATOM 709 C ASP A 48 4.379 -6.839 -11.169 1.00 14.13 C ATOM 710 O ASP A 48 5.346 -6.676 -11.911 1.00 60.31 O ATOM 711 CB ASP A 48 4.570 -6.297 -8.717 1.00 13.31 C ATOM 712 CG ASP A 48 6.083 -6.362 -8.652 1.00 21.11 C ATOM 713 OD1 ASP A 48 6.725 -5.294 -8.680 1.00 5.44 O ATOM 714 OD2 ASP A 48 6.629 -7.477 -8.590 1.00 31.43 O ATOM 0 H ASP A 48 2.166 -5.948 -9.196 1.00 43.13 H new ATOM 0 HA ASP A 48 4.573 -4.884 -10.332 1.00 30.30 H new ATOM 0 HB2 ASP A 48 4.204 -5.628 -7.938 1.00 13.31 H new ATOM 0 HB3 ASP A 48 4.158 -7.284 -8.509 1.00 13.31 H new ATOM 719 N THR A 49 3.535 -7.870 -11.269 1.00 21.24 N ATOM 720 CA THR A 49 3.678 -8.914 -12.285 1.00 22.13 C ATOM 721 C THR A 49 3.405 -8.367 -13.694 1.00 53.03 C ATOM 722 O THR A 49 4.137 -8.663 -14.632 1.00 31.23 O ATOM 723 CB THR A 49 2.721 -10.089 -12.009 1.00 13.11 C ATOM 724 OG1 THR A 49 2.629 -10.336 -10.600 1.00 22.21 O ATOM 725 CG2 THR A 49 3.196 -11.362 -12.706 1.00 33.41 C ATOM 0 H THR A 49 2.736 -8.003 -10.649 1.00 21.24 H new ATOM 0 HA THR A 49 4.708 -9.266 -12.234 1.00 22.13 H new ATOM 0 HB THR A 49 1.742 -9.815 -12.401 1.00 13.11 H new ATOM 0 HG1 THR A 49 1.836 -10.882 -10.415 1.00 22.21 H new ATOM 0 HG21 THR A 49 2.501 -12.174 -12.493 1.00 33.41 H new ATOM 0 HG22 THR A 49 3.239 -11.193 -13.782 1.00 33.41 H new ATOM 0 HG23 THR A 49 4.188 -11.628 -12.341 1.00 33.41 H new ATOM 733 N LEU A 50 2.359 -7.557 -13.826 1.00 1.23 N ATOM 734 CA LEU A 50 2.022 -6.921 -15.098 1.00 64.12 C ATOM 735 C LEU A 50 3.069 -5.887 -15.535 1.00 2.02 C ATOM 736 O LEU A 50 3.303 -5.730 -16.729 1.00 41.05 O ATOM 737 CB LEU A 50 0.617 -6.301 -15.052 1.00 62.32 C ATOM 738 CG LEU A 50 -0.536 -7.319 -15.014 1.00 54.20 C ATOM 739 CD1 LEU A 50 -1.875 -6.614 -14.953 1.00 44.21 C ATOM 740 CD2 LEU A 50 -0.490 -8.238 -16.229 1.00 11.11 C ATOM 0 H LEU A 50 1.725 -7.323 -13.062 1.00 1.23 H new ATOM 0 HA LEU A 50 2.024 -7.708 -15.852 1.00 64.12 H new ATOM 0 HB2 LEU A 50 0.546 -5.660 -14.173 1.00 62.32 H new ATOM 0 HB3 LEU A 50 0.489 -5.660 -15.925 1.00 62.32 H new ATOM 0 HG LEU A 50 -0.416 -7.922 -14.114 1.00 54.20 H new ATOM 0 HD11 LEU A 50 -2.675 -7.354 -14.927 1.00 44.21 H new ATOM 0 HD12 LEU A 50 -1.921 -5.998 -14.055 1.00 44.21 H new ATOM 0 HD13 LEU A 50 -1.994 -5.982 -15.833 1.00 44.21 H new ATOM 0 HD21 LEU A 50 -1.315 -8.949 -16.179 1.00 11.11 H new ATOM 0 HD22 LEU A 50 -0.578 -7.643 -17.138 1.00 11.11 H new ATOM 0 HD23 LEU A 50 0.456 -8.780 -16.240 1.00 11.11 H new ATOM 752 N SER A 51 3.700 -5.196 -14.581 1.00 33.45 N ATOM 753 CA SER A 51 4.762 -4.238 -14.898 1.00 64.11 C ATOM 754 C SER A 51 6.041 -4.953 -15.371 1.00 11.11 C ATOM 755 O SER A 51 6.661 -4.521 -16.342 1.00 45.02 O ATOM 756 CB SER A 51 5.074 -3.352 -13.686 1.00 34.05 C ATOM 757 OG SER A 51 6.013 -2.337 -14.007 1.00 73.43 O ATOM 0 H SER A 51 3.494 -5.282 -13.586 1.00 33.45 H new ATOM 0 HA SER A 51 4.402 -3.609 -15.712 1.00 64.11 H new ATOM 0 HB2 SER A 51 4.154 -2.895 -13.323 1.00 34.05 H new ATOM 0 HB3 SER A 51 5.466 -3.967 -12.876 1.00 34.05 H new ATOM 0 HG SER A 51 6.188 -1.790 -13.213 1.00 73.43 H new ATOM 763 N ARG A 52 6.413 -6.067 -14.708 1.00 1.50 N ATOM 764 CA ARG A 52 7.659 -6.785 -15.036 1.00 43.20 C ATOM 765 C ARG A 52 7.545 -7.576 -16.354 1.00 44.33 C ATOM 766 O ARG A 52 8.545 -7.777 -17.043 1.00 54.25 O ATOM 767 CB ARG A 52 8.092 -7.718 -13.880 1.00 65.03 C ATOM 768 CG ARG A 52 7.132 -8.863 -13.581 1.00 1.24 C ATOM 769 CD ARG A 52 7.691 -9.852 -12.578 1.00 23.15 C ATOM 770 NE ARG A 52 7.901 -9.265 -11.254 1.00 53.20 N ATOM 771 CZ ARG A 52 8.930 -9.566 -10.457 1.00 34.32 C ATOM 772 NH1 ARG A 52 9.898 -10.380 -10.876 1.00 25.11 N ATOM 773 NH2 ARG A 52 9.000 -9.029 -9.250 1.00 23.52 N ATOM 0 H ARG A 52 5.874 -6.485 -13.950 1.00 1.50 H new ATOM 0 HA ARG A 52 8.429 -6.026 -15.174 1.00 43.20 H new ATOM 0 HB2 ARG A 52 9.070 -8.137 -14.118 1.00 65.03 H new ATOM 0 HB3 ARG A 52 8.213 -7.120 -12.977 1.00 65.03 H new ATOM 0 HG2 ARG A 52 6.196 -8.456 -13.199 1.00 1.24 H new ATOM 0 HG3 ARG A 52 6.898 -9.386 -14.508 1.00 1.24 H new ATOM 0 HD2 ARG A 52 7.009 -10.698 -12.491 1.00 23.15 H new ATOM 0 HD3 ARG A 52 8.638 -10.243 -12.950 1.00 23.15 H new ATOM 0 HE ARG A 52 7.220 -8.584 -10.919 1.00 53.20 H new ATOM 0 HH11 ARG A 52 9.858 -10.780 -11.813 1.00 25.11 H new ATOM 0 HH12 ARG A 52 10.679 -10.603 -10.259 1.00 25.11 H new ATOM 0 HH21 ARG A 52 8.271 -8.390 -8.933 1.00 23.52 H new ATOM 0 HH22 ARG A 52 9.783 -9.254 -8.636 1.00 23.52 H new ATOM 787 N ASN A 53 6.326 -8.018 -16.692 1.00 22.55 N ATOM 788 CA ASN A 53 6.077 -8.729 -17.949 1.00 63.13 C ATOM 789 C ASN A 53 5.861 -7.768 -19.116 1.00 64.15 C ATOM 790 O ASN A 53 6.102 -8.123 -20.271 1.00 12.30 O ATOM 791 CB ASN A 53 4.868 -9.667 -17.823 1.00 14.45 C ATOM 792 CG ASN A 53 5.218 -11.008 -17.206 1.00 33.01 C ATOM 793 OD1 ASN A 53 5.603 -11.934 -17.905 1.00 24.33 O ATOM 794 ND2 ASN A 53 5.075 -11.127 -15.898 1.00 22.24 N ATOM 0 H ASN A 53 5.497 -7.894 -16.110 1.00 22.55 H new ATOM 0 HA ASN A 53 6.969 -9.321 -18.155 1.00 63.13 H new ATOM 0 HB2 ASN A 53 4.102 -9.183 -17.217 1.00 14.45 H new ATOM 0 HB3 ASN A 53 4.437 -9.830 -18.811 1.00 14.45 H new ATOM 0 HD21 ASN A 53 5.288 -12.013 -15.440 1.00 22.24 H new ATOM 0 HD22 ASN A 53 4.751 -10.333 -15.346 1.00 22.24 H new ATOM 801 N GLY A 54 5.424 -6.551 -18.803 1.00 0.23 N ATOM 802 CA GLY A 54 5.155 -5.556 -19.830 1.00 10.31 C ATOM 803 C GLY A 54 3.736 -5.622 -20.374 1.00 31.23 C ATOM 804 O GLY A 54 3.476 -5.177 -21.490 1.00 72.14 O ATOM 0 H GLY A 54 5.250 -6.234 -17.849 1.00 0.23 H new ATOM 0 HA2 GLY A 54 5.333 -4.562 -19.419 1.00 10.31 H new ATOM 0 HA3 GLY A 54 5.858 -5.692 -20.651 1.00 10.31 H new ATOM 808 N GLY A 55 2.826 -6.176 -19.574 1.00 14.12 N ATOM 809 CA GLY A 55 1.425 -6.251 -19.945 1.00 72.42 C ATOM 810 C GLY A 55 0.565 -5.409 -19.027 1.00 52.41 C ATOM 811 O GLY A 55 -0.537 -5.811 -18.655 1.00 70.42 O ATOM 0 H GLY A 55 3.041 -6.579 -18.662 1.00 14.12 H new ATOM 0 HA2 GLY A 55 1.301 -5.913 -20.974 1.00 72.42 H new ATOM 0 HA3 GLY A 55 1.092 -7.288 -19.908 1.00 72.42 H new ATOM 815 N TYR A 56 1.091 -4.245 -18.656 1.00 61.44 N ATOM 816 CA TYR A 56 0.436 -3.337 -17.724 1.00 34.04 C ATOM 817 C TYR A 56 -0.705 -2.561 -18.406 1.00 43.30 C ATOM 818 O TYR A 56 -0.479 -1.609 -19.159 1.00 64.02 O ATOM 819 CB TYR A 56 1.510 -2.407 -17.118 1.00 75.41 C ATOM 820 CG TYR A 56 0.992 -1.235 -16.319 1.00 32.14 C ATOM 821 CD1 TYR A 56 0.136 -1.417 -15.249 1.00 22.42 C ATOM 822 CD2 TYR A 56 1.359 0.063 -16.657 1.00 73.33 C ATOM 823 CE1 TYR A 56 -0.340 -0.343 -14.540 1.00 13.14 C ATOM 824 CE2 TYR A 56 0.886 1.145 -15.947 1.00 41.24 C ATOM 825 CZ TYR A 56 0.036 0.936 -14.890 1.00 74.40 C ATOM 826 OH TYR A 56 -0.441 2.004 -14.168 1.00 43.45 O ATOM 0 H TYR A 56 1.990 -3.905 -18.997 1.00 61.44 H new ATOM 0 HA TYR A 56 -0.035 -3.900 -16.918 1.00 34.04 H new ATOM 0 HB2 TYR A 56 2.158 -3.003 -16.475 1.00 75.41 H new ATOM 0 HB3 TYR A 56 2.130 -2.024 -17.928 1.00 75.41 H new ATOM 0 HD1 TYR A 56 -0.162 -2.416 -14.968 1.00 22.42 H new ATOM 0 HD2 TYR A 56 2.026 0.226 -17.490 1.00 73.33 H new ATOM 0 HE1 TYR A 56 -1.010 -0.500 -13.707 1.00 13.14 H new ATOM 0 HE2 TYR A 56 1.181 2.147 -16.220 1.00 41.24 H new ATOM 0 HH TYR A 56 -1.259 2.344 -14.588 1.00 43.45 H new ATOM 836 N LYS A 57 -1.933 -3.022 -18.173 1.00 61.34 N ATOM 837 CA LYS A 57 -3.123 -2.364 -18.699 1.00 73.22 C ATOM 838 C LYS A 57 -3.983 -1.801 -17.569 1.00 43.41 C ATOM 839 O LYS A 57 -4.130 -2.424 -16.516 1.00 42.15 O ATOM 840 CB LYS A 57 -3.957 -3.345 -19.536 1.00 54.52 C ATOM 841 CG LYS A 57 -3.187 -4.018 -20.670 1.00 31.30 C ATOM 842 CD LYS A 57 -4.093 -4.889 -21.533 1.00 32.10 C ATOM 843 CE LYS A 57 -5.028 -4.051 -22.386 1.00 54.32 C ATOM 844 NZ LYS A 57 -5.997 -4.881 -23.143 1.00 32.24 N ATOM 0 H LYS A 57 -2.128 -3.856 -17.619 1.00 61.34 H new ATOM 0 HA LYS A 57 -2.792 -1.541 -19.333 1.00 73.22 H new ATOM 0 HB2 LYS A 57 -4.358 -4.116 -18.878 1.00 54.52 H new ATOM 0 HB3 LYS A 57 -4.809 -2.811 -19.958 1.00 54.52 H new ATOM 0 HG2 LYS A 57 -2.716 -3.256 -21.291 1.00 31.30 H new ATOM 0 HG3 LYS A 57 -2.386 -4.629 -20.253 1.00 31.30 H new ATOM 0 HD2 LYS A 57 -3.483 -5.523 -22.176 1.00 32.10 H new ATOM 0 HD3 LYS A 57 -4.678 -5.551 -20.894 1.00 32.10 H new ATOM 0 HE2 LYS A 57 -5.571 -3.354 -21.748 1.00 54.32 H new ATOM 0 HE3 LYS A 57 -4.442 -3.454 -23.084 1.00 54.32 H new ATOM 0 HZ1 LYS A 57 -6.613 -4.265 -23.710 1.00 32.24 H new ATOM 0 HZ2 LYS A 57 -5.482 -5.529 -23.772 1.00 32.24 H new ATOM 0 HZ3 LYS A 57 -6.576 -5.432 -22.478 1.00 32.24 H new ATOM 858 N MET A 58 -4.535 -0.613 -17.796 1.00 63.21 N ATOM 859 CA MET A 58 -5.440 0.035 -16.841 1.00 65.23 C ATOM 860 C MET A 58 -6.822 0.171 -17.462 1.00 33.20 C ATOM 861 O MET A 58 -6.951 0.110 -18.688 1.00 21.51 O ATOM 862 CB MET A 58 -4.950 1.439 -16.492 1.00 30.13 C ATOM 863 CG MET A 58 -3.539 1.512 -15.953 1.00 51.21 C ATOM 864 SD MET A 58 -2.915 3.201 -15.933 1.00 44.20 S ATOM 865 CE MET A 58 -2.951 3.609 -17.675 1.00 52.31 C ATOM 0 H MET A 58 -4.371 -0.070 -18.644 1.00 63.21 H new ATOM 0 HA MET A 58 -5.472 -0.579 -15.941 1.00 65.23 H new ATOM 0 HB2 MET A 58 -5.014 2.061 -17.385 1.00 30.13 H new ATOM 0 HB3 MET A 58 -5.627 1.870 -15.754 1.00 30.13 H new ATOM 0 HG2 MET A 58 -3.515 1.104 -14.943 1.00 51.21 H new ATOM 0 HG3 MET A 58 -2.884 0.890 -16.564 1.00 51.21 H new ATOM 0 HE1 MET A 58 -2.400 4.534 -17.844 1.00 52.31 H new ATOM 0 HE2 MET A 58 -2.491 2.803 -18.247 1.00 52.31 H new ATOM 0 HE3 MET A 58 -3.984 3.739 -17.997 1.00 52.31 H new ATOM 875 N VAL A 59 -7.854 0.389 -16.642 1.00 52.05 N ATOM 876 CA VAL A 59 -9.182 0.669 -17.191 1.00 54.03 C ATOM 877 C VAL A 59 -9.359 2.186 -17.380 1.00 32.01 C ATOM 878 O VAL A 59 -10.142 2.631 -18.218 1.00 40.32 O ATOM 879 CB VAL A 59 -10.357 0.044 -16.354 1.00 11.51 C ATOM 880 CG1 VAL A 59 -10.045 -1.398 -15.956 1.00 42.23 C ATOM 881 CG2 VAL A 59 -10.730 0.862 -15.123 1.00 51.33 C ATOM 0 H VAL A 59 -7.800 0.378 -15.624 1.00 52.05 H new ATOM 0 HA VAL A 59 -9.237 0.178 -18.162 1.00 54.03 H new ATOM 0 HB VAL A 59 -11.226 0.056 -17.012 1.00 11.51 H new ATOM 0 HG11 VAL A 59 -10.875 -1.804 -15.378 1.00 42.23 H new ATOM 0 HG12 VAL A 59 -9.899 -2.000 -16.853 1.00 42.23 H new ATOM 0 HG13 VAL A 59 -9.138 -1.421 -15.352 1.00 42.23 H new ATOM 0 HG21 VAL A 59 -11.547 0.371 -14.594 1.00 51.33 H new ATOM 0 HG22 VAL A 59 -9.866 0.941 -14.463 1.00 51.33 H new ATOM 0 HG23 VAL A 59 -11.044 1.860 -15.430 1.00 51.33 H new ATOM 891 N GLU A 60 -8.586 2.960 -16.617 1.00 44.42 N ATOM 892 CA GLU A 60 -8.572 4.408 -16.734 1.00 43.52 C ATOM 893 C GLU A 60 -7.222 4.875 -17.228 1.00 52.34 C ATOM 894 O GLU A 60 -6.192 4.614 -16.598 1.00 35.42 O ATOM 895 CB GLU A 60 -8.903 5.075 -15.396 1.00 14.04 C ATOM 896 CG GLU A 60 -10.354 4.917 -14.969 1.00 62.32 C ATOM 897 CD GLU A 60 -11.315 5.587 -15.919 1.00 40.44 C ATOM 898 OE1 GLU A 60 -11.448 6.820 -15.855 1.00 23.22 O ATOM 899 OE2 GLU A 60 -11.940 4.883 -16.739 1.00 71.42 O ATOM 0 H GLU A 60 -7.955 2.596 -15.903 1.00 44.42 H new ATOM 0 HA GLU A 60 -9.338 4.697 -17.454 1.00 43.52 H new ATOM 0 HB2 GLU A 60 -8.260 4.655 -14.623 1.00 14.04 H new ATOM 0 HB3 GLU A 60 -8.668 6.137 -15.463 1.00 14.04 H new ATOM 0 HG2 GLU A 60 -10.596 3.856 -14.902 1.00 62.32 H new ATOM 0 HG3 GLU A 60 -10.483 5.337 -13.971 1.00 62.32 H new ATOM 906 N TYR A 61 -7.240 5.574 -18.354 1.00 51.35 N ATOM 907 CA TYR A 61 -6.023 6.048 -19.000 1.00 33.41 C ATOM 908 C TYR A 61 -5.604 7.394 -18.415 1.00 54.14 C ATOM 909 O TYR A 61 -5.984 8.461 -18.907 1.00 25.24 O ATOM 910 CB TYR A 61 -6.220 6.153 -20.516 1.00 62.30 C ATOM 911 CG TYR A 61 -6.598 4.848 -21.179 1.00 64.23 C ATOM 912 CD1 TYR A 61 -5.629 3.941 -21.586 1.00 13.52 C ATOM 913 CD2 TYR A 61 -7.930 4.525 -21.396 1.00 64.24 C ATOM 914 CE1 TYR A 61 -5.980 2.748 -22.188 1.00 24.05 C ATOM 915 CE2 TYR A 61 -8.287 3.341 -21.993 1.00 25.21 C ATOM 916 CZ TYR A 61 -7.314 2.457 -22.389 1.00 5.15 C ATOM 917 OH TYR A 61 -7.676 1.276 -22.988 1.00 72.11 O ATOM 0 H TYR A 61 -8.097 5.829 -18.845 1.00 51.35 H new ATOM 0 HA TYR A 61 -5.228 5.327 -18.812 1.00 33.41 H new ATOM 0 HB2 TYR A 61 -6.996 6.891 -20.721 1.00 62.30 H new ATOM 0 HB3 TYR A 61 -5.300 6.524 -20.967 1.00 62.30 H new ATOM 0 HD1 TYR A 61 -4.585 4.171 -21.430 1.00 13.52 H new ATOM 0 HD2 TYR A 61 -8.700 5.218 -21.090 1.00 64.24 H new ATOM 0 HE1 TYR A 61 -5.217 2.049 -22.499 1.00 24.05 H new ATOM 0 HE2 TYR A 61 -9.329 3.106 -22.150 1.00 25.21 H new ATOM 0 HH TYR A 61 -8.653 1.228 -23.052 1.00 72.11 H new ATOM 927 N GLY A 62 -4.866 7.313 -17.322 1.00 60.22 N ATOM 928 CA GLY A 62 -4.460 8.495 -16.584 1.00 72.53 C ATOM 929 C GLY A 62 -4.337 8.207 -15.102 1.00 32.30 C ATOM 930 O GLY A 62 -3.777 9.006 -14.349 1.00 50.12 O ATOM 0 H GLY A 62 -4.534 6.434 -16.924 1.00 60.22 H new ATOM 0 HA2 GLY A 62 -3.505 8.854 -16.967 1.00 72.53 H new ATOM 0 HA3 GLY A 62 -5.187 9.292 -16.742 1.00 72.53 H new ATOM 934 N GLY A 63 -4.867 7.055 -14.687 1.00 64.24 N ATOM 935 CA GLY A 63 -4.715 6.603 -13.320 1.00 33.44 C ATOM 936 C GLY A 63 -3.610 5.575 -13.195 1.00 62.13 C ATOM 937 O GLY A 63 -3.850 4.434 -12.797 1.00 2.03 O ATOM 0 H GLY A 63 -5.403 6.425 -15.284 1.00 64.24 H new ATOM 0 HA2 GLY A 63 -4.495 7.455 -12.676 1.00 33.44 H new ATOM 0 HA3 GLY A 63 -5.654 6.174 -12.971 1.00 33.44 H new ATOM 941 N ALA A 64 -2.398 5.986 -13.560 1.00 54.21 N ATOM 942 CA ALA A 64 -1.232 5.116 -13.511 1.00 54.34 C ATOM 943 C ALA A 64 -0.683 5.028 -12.095 1.00 3.13 C ATOM 944 O ALA A 64 -0.345 3.948 -11.606 1.00 50.21 O ATOM 945 CB ALA A 64 -0.169 5.620 -14.480 1.00 64.31 C ATOM 0 H ALA A 64 -2.200 6.928 -13.896 1.00 54.21 H new ATOM 0 HA ALA A 64 -1.529 4.112 -13.813 1.00 54.34 H new ATOM 0 HB1 ALA A 64 0.701 4.965 -14.439 1.00 64.31 H new ATOM 0 HB2 ALA A 64 -0.572 5.624 -15.493 1.00 64.31 H new ATOM 0 HB3 ALA A 64 0.126 6.632 -14.203 1.00 64.31 H new ATOM 951 N GLN A 65 -0.601 6.182 -11.447 1.00 71.41 N ATOM 952 CA GLN A 65 -0.123 6.286 -10.079 1.00 13.35 C ATOM 953 C GLN A 65 -1.311 6.556 -9.138 1.00 1.30 C ATOM 954 O GLN A 65 -1.275 7.465 -8.301 1.00 12.30 O ATOM 955 CB GLN A 65 0.935 7.407 -9.978 1.00 64.10 C ATOM 956 CG GLN A 65 2.374 7.020 -10.366 1.00 73.11 C ATOM 957 CD GLN A 65 2.588 6.655 -11.829 1.00 72.42 C ATOM 958 OE1 GLN A 65 2.808 7.519 -12.669 1.00 21.02 O ATOM 959 NE2 GLN A 65 2.580 5.367 -12.130 1.00 10.44 N ATOM 0 H GLN A 65 -0.866 7.076 -11.860 1.00 71.41 H new ATOM 0 HA GLN A 65 0.347 5.349 -9.780 1.00 13.35 H new ATOM 0 HB2 GLN A 65 0.619 8.234 -10.614 1.00 64.10 H new ATOM 0 HB3 GLN A 65 0.944 7.778 -8.953 1.00 64.10 H new ATOM 0 HG2 GLN A 65 3.034 7.851 -10.118 1.00 73.11 H new ATOM 0 HG3 GLN A 65 2.682 6.174 -9.751 1.00 73.11 H new ATOM 0 HE21 GLN A 65 2.393 4.675 -11.404 1.00 10.44 H new ATOM 0 HE22 GLN A 65 2.761 5.066 -13.088 1.00 10.44 H new ATOM 968 N ALA A 66 -2.361 5.734 -9.278 1.00 35.24 N ATOM 969 CA ALA A 66 -3.630 5.944 -8.573 1.00 41.40 C ATOM 970 C ALA A 66 -3.744 5.099 -7.297 1.00 14.14 C ATOM 971 O ALA A 66 -4.736 5.197 -6.569 1.00 45.43 O ATOM 972 CB ALA A 66 -4.790 5.622 -9.503 1.00 1.41 C ATOM 0 H ALA A 66 -2.353 4.910 -9.880 1.00 35.24 H new ATOM 0 HA ALA A 66 -3.663 6.991 -8.272 1.00 41.40 H new ATOM 0 HB1 ALA A 66 -5.732 5.779 -8.977 1.00 1.41 H new ATOM 0 HB2 ALA A 66 -4.749 6.274 -10.376 1.00 1.41 H new ATOM 0 HB3 ALA A 66 -4.722 4.582 -9.823 1.00 1.41 H new ATOM 978 N GLU A 67 -2.733 4.272 -7.044 1.00 43.34 N ATOM 979 CA GLU A 67 -2.706 3.377 -5.899 1.00 55.21 C ATOM 980 C GLU A 67 -1.237 3.107 -5.511 1.00 3.10 C ATOM 981 O GLU A 67 -0.359 3.937 -5.789 1.00 64.03 O ATOM 982 CB GLU A 67 -3.509 2.080 -6.224 1.00 12.33 C ATOM 983 CG GLU A 67 -2.870 1.080 -7.201 1.00 54.42 C ATOM 984 CD GLU A 67 -2.377 1.675 -8.498 1.00 74.21 C ATOM 985 OE1 GLU A 67 -3.193 1.936 -9.400 1.00 2.10 O ATOM 986 OE2 GLU A 67 -1.152 1.886 -8.619 1.00 1.13 O ATOM 0 H GLU A 67 -1.904 4.206 -7.635 1.00 43.34 H new ATOM 0 HA GLU A 67 -3.192 3.830 -5.035 1.00 55.21 H new ATOM 0 HB2 GLU A 67 -3.702 1.559 -5.286 1.00 12.33 H new ATOM 0 HB3 GLU A 67 -4.477 2.375 -6.629 1.00 12.33 H new ATOM 0 HG2 GLU A 67 -2.032 0.593 -6.702 1.00 54.42 H new ATOM 0 HG3 GLU A 67 -3.600 0.303 -7.430 1.00 54.42 H new ATOM 993 N TRP A 68 -0.955 1.956 -4.894 1.00 44.34 N ATOM 994 CA TRP A 68 0.364 1.687 -4.336 1.00 41.24 C ATOM 995 C TRP A 68 1.217 0.883 -5.289 1.00 64.24 C ATOM 996 O TRP A 68 1.373 -0.321 -5.149 1.00 21.30 O ATOM 997 CB TRP A 68 0.244 1.021 -2.952 1.00 21.01 C ATOM 998 CG TRP A 68 -0.811 1.706 -2.157 1.00 34.51 C ATOM 999 CD1 TRP A 68 -1.952 1.155 -1.676 1.00 24.12 C ATOM 1000 CD2 TRP A 68 -0.865 3.107 -1.852 1.00 34.12 C ATOM 1001 NE1 TRP A 68 -2.725 2.121 -1.098 1.00 20.14 N ATOM 1002 CE2 TRP A 68 -2.070 3.333 -1.191 1.00 22.15 C ATOM 1003 CE3 TRP A 68 0.002 4.193 -2.078 1.00 34.01 C ATOM 1004 CZ2 TRP A 68 -2.447 4.605 -0.769 1.00 25.45 C ATOM 1005 CZ3 TRP A 68 -0.370 5.443 -1.649 1.00 61.34 C ATOM 1006 CH2 TRP A 68 -1.582 5.640 -0.999 1.00 72.01 C ATOM 0 H TRP A 68 -1.626 1.198 -4.771 1.00 44.34 H new ATOM 0 HA TRP A 68 0.875 2.639 -4.195 1.00 41.24 H new ATOM 0 HB2 TRP A 68 -0.001 -0.035 -3.066 1.00 21.01 H new ATOM 0 HB3 TRP A 68 1.199 1.073 -2.429 1.00 21.01 H new ATOM 0 HD1 TRP A 68 -2.211 0.109 -1.740 1.00 24.12 H new ATOM 0 HE1 TRP A 68 -3.638 1.972 -0.668 1.00 20.14 H new ATOM 0 HE3 TRP A 68 0.946 4.045 -2.581 1.00 34.01 H new ATOM 0 HZ2 TRP A 68 -3.393 4.770 -0.275 1.00 25.45 H new ATOM 0 HZ3 TRP A 68 0.287 6.283 -1.819 1.00 61.34 H new ATOM 0 HH2 TRP A 68 -1.848 6.633 -0.668 1.00 72.01 H new ATOM 1017 N HIS A 69 1.698 1.581 -6.305 1.00 54.45 N ATOM 1018 CA HIS A 69 2.757 1.102 -7.172 1.00 32.33 C ATOM 1019 C HIS A 69 3.332 2.310 -7.894 1.00 40.21 C ATOM 1020 O HIS A 69 2.566 3.186 -8.302 1.00 61.14 O ATOM 1021 CB HIS A 69 2.251 0.051 -8.173 1.00 21.33 C ATOM 1022 CG HIS A 69 3.303 -0.927 -8.593 1.00 20.21 C ATOM 1023 ND1 HIS A 69 3.763 -1.928 -7.769 1.00 54.31 N ATOM 1024 CD2 HIS A 69 3.999 -1.044 -9.745 1.00 30.11 C ATOM 1025 CE1 HIS A 69 4.696 -2.618 -8.397 1.00 64.41 C ATOM 1026 NE2 HIS A 69 4.856 -2.104 -9.600 1.00 70.42 N ATOM 0 H HIS A 69 1.357 2.510 -6.552 1.00 54.45 H new ATOM 0 HA HIS A 69 3.524 0.605 -6.577 1.00 32.33 H new ATOM 0 HB2 HIS A 69 1.418 -0.492 -7.727 1.00 21.33 H new ATOM 0 HB3 HIS A 69 1.864 0.559 -9.057 1.00 21.33 H new ATOM 0 HD1 HIS A 69 3.434 -2.109 -6.821 1.00 54.31 H new ATOM 0 HD2 HIS A 69 3.899 -0.418 -10.619 1.00 30.11 H new ATOM 0 HE1 HIS A 69 5.237 -3.461 -7.994 1.00 64.41 H new ATOM 1035 N GLU A 70 4.680 2.363 -7.960 1.00 22.11 N ATOM 1036 CA GLU A 70 5.478 3.436 -8.606 1.00 63.33 C ATOM 1037 C GLU A 70 5.558 4.712 -7.737 1.00 24.13 C ATOM 1038 O GLU A 70 6.649 5.113 -7.335 1.00 75.11 O ATOM 1039 CB GLU A 70 4.971 3.745 -10.033 1.00 53.04 C ATOM 1040 CG GLU A 70 5.874 4.659 -10.842 1.00 2.42 C ATOM 1041 CD GLU A 70 7.179 4.014 -11.278 1.00 70.55 C ATOM 1042 OE1 GLU A 70 7.322 2.772 -11.168 1.00 72.33 O ATOM 1043 OE2 GLU A 70 8.058 4.754 -11.764 1.00 43.15 O ATOM 0 H GLU A 70 5.266 1.635 -7.551 1.00 22.11 H new ATOM 0 HA GLU A 70 6.496 3.057 -8.698 1.00 63.33 H new ATOM 0 HB2 GLU A 70 4.850 2.806 -10.572 1.00 53.04 H new ATOM 0 HB3 GLU A 70 3.984 4.201 -9.962 1.00 53.04 H new ATOM 0 HG2 GLU A 70 5.334 4.995 -11.727 1.00 2.42 H new ATOM 0 HG3 GLU A 70 6.099 5.546 -10.250 1.00 2.42 H new ATOM 1050 N GLN A 71 4.405 5.320 -7.419 1.00 31.02 N ATOM 1051 CA GLN A 71 4.357 6.533 -6.589 1.00 34.42 C ATOM 1052 C GLN A 71 4.449 6.176 -5.103 1.00 72.02 C ATOM 1053 O GLN A 71 4.794 7.014 -4.259 1.00 62.31 O ATOM 1054 CB GLN A 71 3.056 7.299 -6.863 1.00 1.21 C ATOM 1055 CG GLN A 71 3.133 8.781 -6.525 1.00 31.44 C ATOM 1056 CD GLN A 71 4.176 9.518 -7.355 1.00 22.54 C ATOM 1057 OE1 GLN A 71 4.449 9.165 -8.503 1.00 72.22 O ATOM 1058 NE2 GLN A 71 4.786 10.529 -6.773 1.00 53.43 N ATOM 0 H GLN A 71 3.490 4.990 -7.726 1.00 31.02 H new ATOM 0 HA GLN A 71 5.209 7.163 -6.846 1.00 34.42 H new ATOM 0 HB2 GLN A 71 2.795 7.189 -7.916 1.00 1.21 H new ATOM 0 HB3 GLN A 71 2.250 6.846 -6.286 1.00 1.21 H new ATOM 0 HG2 GLN A 71 2.157 9.238 -6.686 1.00 31.44 H new ATOM 0 HG3 GLN A 71 3.368 8.897 -5.467 1.00 31.44 H new ATOM 0 HE21 GLN A 71 4.536 10.796 -5.821 1.00 53.43 H new ATOM 0 HE22 GLN A 71 5.509 11.046 -7.274 1.00 53.43 H new ATOM 1067 N ALA A 72 4.167 4.903 -4.813 1.00 62.43 N ATOM 1068 CA ALA A 72 4.198 4.355 -3.461 1.00 34.11 C ATOM 1069 C ALA A 72 5.604 4.306 -2.868 1.00 74.14 C ATOM 1070 O ALA A 72 5.733 4.216 -1.668 1.00 32.30 O ATOM 1071 CB ALA A 72 3.584 2.978 -3.436 1.00 74.15 C ATOM 0 H ALA A 72 3.908 4.218 -5.523 1.00 62.43 H new ATOM 0 HA ALA A 72 3.612 5.033 -2.840 1.00 34.11 H new ATOM 0 HB1 ALA A 72 3.615 2.584 -2.420 1.00 74.15 H new ATOM 0 HB2 ALA A 72 2.548 3.035 -3.771 1.00 74.15 H new ATOM 0 HB3 ALA A 72 4.144 2.318 -4.099 1.00 74.15 H new ATOM 1077 N GLU A 73 6.630 4.328 -3.733 1.00 23.11 N ATOM 1078 CA GLU A 73 8.054 4.289 -3.343 1.00 73.10 C ATOM 1079 C GLU A 73 8.439 5.416 -2.340 1.00 20.42 C ATOM 1080 O GLU A 73 9.241 5.199 -1.424 1.00 12.54 O ATOM 1081 CB GLU A 73 8.893 4.354 -4.637 1.00 5.55 C ATOM 1082 CG GLU A 73 10.406 4.342 -4.457 1.00 35.43 C ATOM 1083 CD GLU A 73 11.012 5.730 -4.411 1.00 43.13 C ATOM 1084 OE1 GLU A 73 10.762 6.527 -5.340 1.00 64.03 O ATOM 1085 OE2 GLU A 73 11.753 6.023 -3.456 1.00 4.51 O ATOM 0 H GLU A 73 6.494 4.374 -4.743 1.00 23.11 H new ATOM 0 HA GLU A 73 8.257 3.362 -2.807 1.00 73.10 H new ATOM 0 HB2 GLU A 73 8.616 3.510 -5.268 1.00 5.55 H new ATOM 0 HB3 GLU A 73 8.619 5.260 -5.178 1.00 5.55 H new ATOM 0 HG2 GLU A 73 10.652 3.814 -3.535 1.00 35.43 H new ATOM 0 HG3 GLU A 73 10.858 3.782 -5.275 1.00 35.43 H new ATOM 1092 N LYS A 74 7.855 6.601 -2.509 1.00 14.53 N ATOM 1093 CA LYS A 74 8.091 7.725 -1.595 1.00 63.31 C ATOM 1094 C LYS A 74 7.370 7.524 -0.258 1.00 65.21 C ATOM 1095 O LYS A 74 7.884 7.890 0.801 1.00 44.23 O ATOM 1096 CB LYS A 74 7.636 9.030 -2.253 1.00 72.03 C ATOM 1097 CG LYS A 74 8.575 9.514 -3.351 1.00 2.25 C ATOM 1098 CD LYS A 74 9.853 10.085 -2.758 1.00 73.31 C ATOM 1099 CE LYS A 74 10.881 10.416 -3.828 1.00 72.33 C ATOM 1100 NZ LYS A 74 11.595 9.202 -4.299 1.00 14.02 N ATOM 0 H LYS A 74 7.212 6.811 -3.272 1.00 14.53 H new ATOM 0 HA LYS A 74 9.160 7.776 -1.388 1.00 63.31 H new ATOM 0 HB2 LYS A 74 6.640 8.888 -2.673 1.00 72.03 H new ATOM 0 HB3 LYS A 74 7.553 9.803 -1.489 1.00 72.03 H new ATOM 0 HG2 LYS A 74 8.817 8.687 -4.019 1.00 2.25 H new ATOM 0 HG3 LYS A 74 8.077 10.274 -3.952 1.00 2.25 H new ATOM 0 HD2 LYS A 74 9.618 10.985 -2.190 1.00 73.31 H new ATOM 0 HD3 LYS A 74 10.279 9.368 -2.056 1.00 73.31 H new ATOM 0 HE2 LYS A 74 10.386 10.897 -4.672 1.00 72.33 H new ATOM 0 HE3 LYS A 74 11.602 11.131 -3.431 1.00 72.33 H new ATOM 0 HZ1 LYS A 74 12.201 9.447 -5.108 1.00 14.02 H new ATOM 0 HZ2 LYS A 74 12.182 8.824 -3.529 1.00 14.02 H new ATOM 0 HZ3 LYS A 74 10.902 8.483 -4.591 1.00 14.02 H new ATOM 1114 N VAL A 75 6.191 6.922 -0.336 1.00 32.40 N ATOM 1115 CA VAL A 75 5.320 6.677 0.813 1.00 21.11 C ATOM 1116 C VAL A 75 5.858 5.532 1.703 1.00 72.02 C ATOM 1117 O VAL A 75 5.810 5.605 2.935 1.00 3.33 O ATOM 1118 CB VAL A 75 3.888 6.342 0.299 1.00 63.12 C ATOM 1119 CG1 VAL A 75 2.903 6.186 1.432 1.00 4.33 C ATOM 1120 CG2 VAL A 75 3.390 7.401 -0.678 1.00 71.11 C ATOM 0 H VAL A 75 5.803 6.582 -1.216 1.00 32.40 H new ATOM 0 HA VAL A 75 5.292 7.576 1.429 1.00 21.11 H new ATOM 0 HB VAL A 75 3.959 5.387 -0.222 1.00 63.12 H new ATOM 0 HG11 VAL A 75 1.918 5.953 1.028 1.00 4.33 H new ATOM 0 HG12 VAL A 75 3.227 5.377 2.087 1.00 4.33 H new ATOM 0 HG13 VAL A 75 2.852 7.115 2.000 1.00 4.33 H new ATOM 0 HG21 VAL A 75 2.388 7.139 -1.019 1.00 71.11 H new ATOM 0 HG22 VAL A 75 3.362 8.371 -0.181 1.00 71.11 H new ATOM 0 HG23 VAL A 75 4.063 7.452 -1.534 1.00 71.11 H new ATOM 1130 N GLU A 76 6.374 4.491 1.051 1.00 51.32 N ATOM 1131 CA GLU A 76 6.838 3.272 1.718 1.00 74.30 C ATOM 1132 C GLU A 76 8.108 3.491 2.545 1.00 52.44 C ATOM 1133 O GLU A 76 8.295 2.830 3.563 1.00 72.24 O ATOM 1134 CB GLU A 76 7.021 2.134 0.701 1.00 21.12 C ATOM 1135 CG GLU A 76 8.104 2.345 -0.348 1.00 34.23 C ATOM 1136 CD GLU A 76 9.400 1.611 -0.050 1.00 71.32 C ATOM 1137 OE1 GLU A 76 9.450 0.379 -0.230 1.00 53.54 O ATOM 1138 OE2 GLU A 76 10.387 2.266 0.329 1.00 54.22 O ATOM 0 H GLU A 76 6.483 4.468 0.037 1.00 51.32 H new ATOM 0 HA GLU A 76 6.062 2.984 2.427 1.00 74.30 H new ATOM 0 HB2 GLU A 76 7.245 1.218 1.247 1.00 21.12 H new ATOM 0 HB3 GLU A 76 6.072 1.975 0.188 1.00 21.12 H new ATOM 0 HG2 GLU A 76 7.727 2.017 -1.317 1.00 34.23 H new ATOM 0 HG3 GLU A 76 8.313 3.412 -0.431 1.00 34.23 H new ATOM 1145 N ALA A 77 8.979 4.406 2.087 1.00 0.15 N ATOM 1146 CA ALA A 77 10.202 4.776 2.808 1.00 4.01 C ATOM 1147 C ALA A 77 9.886 5.414 4.161 1.00 34.12 C ATOM 1148 O ALA A 77 10.634 5.249 5.131 1.00 2.11 O ATOM 1149 CB ALA A 77 11.022 5.722 1.954 1.00 51.42 C ATOM 0 H ALA A 77 8.853 4.907 1.208 1.00 0.15 H new ATOM 0 HA ALA A 77 10.775 3.870 3.003 1.00 4.01 H new ATOM 0 HB1 ALA A 77 11.931 5.998 2.488 1.00 51.42 H new ATOM 0 HB2 ALA A 77 11.286 5.231 1.018 1.00 51.42 H new ATOM 0 HB3 ALA A 77 10.439 6.618 1.742 1.00 51.42 H new ATOM 1155 N TYR A 78 8.751 6.112 4.211 1.00 12.25 N ATOM 1156 CA TYR A 78 8.255 6.728 5.428 1.00 34.24 C ATOM 1157 C TYR A 78 7.672 5.675 6.391 1.00 32.15 C ATOM 1158 O TYR A 78 7.750 5.838 7.600 1.00 43.42 O ATOM 1159 CB TYR A 78 7.214 7.792 5.082 1.00 10.42 C ATOM 1160 CG TYR A 78 6.938 8.760 6.204 1.00 4.45 C ATOM 1161 CD1 TYR A 78 7.843 9.764 6.503 1.00 25.12 C ATOM 1162 CD2 TYR A 78 5.776 8.673 6.960 1.00 13.00 C ATOM 1163 CE1 TYR A 78 7.605 10.654 7.523 1.00 33.15 C ATOM 1164 CE2 TYR A 78 5.531 9.563 7.982 1.00 32.42 C ATOM 1165 CZ TYR A 78 6.448 10.552 8.258 1.00 52.22 C ATOM 1166 OH TYR A 78 6.207 11.447 9.272 1.00 30.44 O ATOM 0 H TYR A 78 8.151 6.263 3.400 1.00 12.25 H new ATOM 0 HA TYR A 78 9.090 7.206 5.940 1.00 34.24 H new ATOM 0 HB2 TYR A 78 7.554 8.349 4.209 1.00 10.42 H new ATOM 0 HB3 TYR A 78 6.283 7.299 4.803 1.00 10.42 H new ATOM 0 HD1 TYR A 78 8.751 9.849 5.925 1.00 25.12 H new ATOM 0 HD2 TYR A 78 5.056 7.898 6.744 1.00 13.00 H new ATOM 0 HE1 TYR A 78 8.323 11.429 7.746 1.00 33.15 H new ATOM 0 HE2 TYR A 78 4.624 9.485 8.564 1.00 32.42 H new ATOM 0 HH TYR A 78 5.347 11.240 9.693 1.00 30.44 H new ATOM 1176 N LEU A 79 7.085 4.605 5.851 1.00 11.24 N ATOM 1177 CA LEU A 79 6.554 3.503 6.672 1.00 3.40 C ATOM 1178 C LEU A 79 7.700 2.737 7.353 1.00 14.31 C ATOM 1179 O LEU A 79 7.599 2.382 8.533 1.00 32.15 O ATOM 1180 CB LEU A 79 5.692 2.571 5.785 1.00 14.20 C ATOM 1181 CG LEU A 79 4.796 1.496 6.466 1.00 43.55 C ATOM 1182 CD1 LEU A 79 5.555 0.211 6.769 1.00 13.52 C ATOM 1183 CD2 LEU A 79 4.138 2.031 7.733 1.00 33.15 C ATOM 0 H LEU A 79 6.963 4.474 4.847 1.00 11.24 H new ATOM 0 HA LEU A 79 5.922 3.908 7.462 1.00 3.40 H new ATOM 0 HB2 LEU A 79 5.044 3.202 5.177 1.00 14.20 H new ATOM 0 HB3 LEU A 79 6.365 2.053 5.101 1.00 14.20 H new ATOM 0 HG LEU A 79 4.014 1.255 5.745 1.00 43.55 H new ATOM 0 HD11 LEU A 79 4.884 -0.505 7.243 1.00 13.52 H new ATOM 0 HD12 LEU A 79 5.939 -0.212 5.841 1.00 13.52 H new ATOM 0 HD13 LEU A 79 6.386 0.429 7.440 1.00 13.52 H new ATOM 0 HD21 LEU A 79 3.521 1.251 8.179 1.00 33.15 H new ATOM 0 HD22 LEU A 79 4.908 2.335 8.442 1.00 33.15 H new ATOM 0 HD23 LEU A 79 3.514 2.890 7.484 1.00 33.15 H new ATOM 1195 N VAL A 80 8.780 2.495 6.602 1.00 25.43 N ATOM 1196 CA VAL A 80 9.952 1.771 7.114 1.00 1.34 C ATOM 1197 C VAL A 80 10.715 2.602 8.170 1.00 34.05 C ATOM 1198 O VAL A 80 11.265 2.043 9.116 1.00 44.43 O ATOM 1199 CB VAL A 80 10.895 1.326 5.946 1.00 23.32 C ATOM 1200 CG1 VAL A 80 12.110 0.544 6.440 1.00 32.23 C ATOM 1201 CG2 VAL A 80 10.137 0.474 4.937 1.00 73.21 C ATOM 0 H VAL A 80 8.868 2.792 5.630 1.00 25.43 H new ATOM 0 HA VAL A 80 9.591 0.870 7.610 1.00 1.34 H new ATOM 0 HB VAL A 80 11.249 2.242 5.473 1.00 23.32 H new ATOM 0 HG11 VAL A 80 12.730 0.260 5.590 1.00 32.23 H new ATOM 0 HG12 VAL A 80 12.691 1.166 7.121 1.00 32.23 H new ATOM 0 HG13 VAL A 80 11.778 -0.353 6.962 1.00 32.23 H new ATOM 0 HG21 VAL A 80 10.811 0.176 4.134 1.00 73.21 H new ATOM 0 HG22 VAL A 80 9.746 -0.415 5.432 1.00 73.21 H new ATOM 0 HG23 VAL A 80 9.311 1.051 4.522 1.00 73.21 H new ATOM 1211 N GLU A 81 10.731 3.930 8.038 1.00 24.21 N ATOM 1212 CA GLU A 81 11.373 4.769 9.051 1.00 33.35 C ATOM 1213 C GLU A 81 10.492 4.939 10.305 1.00 31.33 C ATOM 1214 O GLU A 81 11.016 5.084 11.409 1.00 62.31 O ATOM 1215 CB GLU A 81 11.790 6.129 8.476 1.00 43.24 C ATOM 1216 CG GLU A 81 10.648 7.072 8.150 1.00 14.10 C ATOM 1217 CD GLU A 81 11.119 8.380 7.583 1.00 40.12 C ATOM 1218 OE1 GLU A 81 11.383 9.315 8.369 1.00 51.33 O ATOM 1219 OE2 GLU A 81 11.232 8.488 6.352 1.00 31.52 O ATOM 0 H GLU A 81 10.316 4.439 7.257 1.00 24.21 H new ATOM 0 HA GLU A 81 12.279 4.249 9.362 1.00 33.35 H new ATOM 0 HB2 GLU A 81 12.452 6.619 9.190 1.00 43.24 H new ATOM 0 HB3 GLU A 81 12.370 5.959 7.569 1.00 43.24 H new ATOM 0 HG2 GLU A 81 9.978 6.592 7.437 1.00 14.10 H new ATOM 0 HG3 GLU A 81 10.069 7.260 9.054 1.00 14.10 H new ATOM 1226 N LYS A 82 9.157 4.907 10.134 1.00 3.22 N ATOM 1227 CA LYS A 82 8.224 5.115 11.242 1.00 71.13 C ATOM 1228 C LYS A 82 8.062 3.889 12.112 1.00 15.11 C ATOM 1229 O LYS A 82 7.851 4.028 13.320 1.00 40.22 O ATOM 1230 CB LYS A 82 6.844 5.538 10.721 1.00 64.22 C ATOM 1231 CG LYS A 82 6.696 7.033 10.544 1.00 62.00 C ATOM 1232 CD LYS A 82 6.684 7.733 11.885 1.00 73.44 C ATOM 1233 CE LYS A 82 6.681 9.238 11.732 1.00 32.22 C ATOM 1234 NZ LYS A 82 6.633 9.936 13.039 1.00 53.30 N ATOM 0 H LYS A 82 8.706 4.738 9.235 1.00 3.22 H new ATOM 0 HA LYS A 82 8.656 5.908 11.852 1.00 71.13 H new ATOM 0 HB2 LYS A 82 6.660 5.047 9.765 1.00 64.22 H new ATOM 0 HB3 LYS A 82 6.080 5.185 11.413 1.00 64.22 H new ATOM 0 HG2 LYS A 82 7.516 7.415 9.936 1.00 62.00 H new ATOM 0 HG3 LYS A 82 5.773 7.251 10.007 1.00 62.00 H new ATOM 0 HD2 LYS A 82 5.804 7.423 12.449 1.00 73.44 H new ATOM 0 HD3 LYS A 82 7.557 7.428 12.462 1.00 73.44 H new ATOM 0 HE2 LYS A 82 7.574 9.548 11.190 1.00 32.22 H new ATOM 0 HE3 LYS A 82 5.823 9.538 11.130 1.00 32.22 H new ATOM 0 HZ1 LYS A 82 6.684 10.963 12.886 1.00 53.30 H new ATOM 0 HZ2 LYS A 82 5.744 9.702 13.525 1.00 53.30 H new ATOM 0 HZ3 LYS A 82 7.438 9.633 13.624 1.00 53.30 H new ATOM 1248 N GLN A 83 8.149 2.696 11.476 1.00 33.13 N ATOM 1249 CA GLN A 83 7.967 1.377 12.128 1.00 30.42 C ATOM 1250 C GLN A 83 6.530 1.176 12.624 1.00 61.13 C ATOM 1251 O GLN A 83 6.251 0.241 13.375 1.00 2.03 O ATOM 1252 CB GLN A 83 8.957 1.175 13.295 1.00 61.24 C ATOM 1253 CG GLN A 83 10.410 1.150 12.871 1.00 55.52 C ATOM 1254 CD GLN A 83 10.774 -0.122 12.155 1.00 61.21 C ATOM 1255 OE1 GLN A 83 11.183 -1.090 12.775 1.00 52.53 O ATOM 1256 NE2 GLN A 83 10.622 -0.131 10.849 1.00 24.43 N ATOM 0 H GLN A 83 8.351 2.622 10.479 1.00 33.13 H new ATOM 0 HA GLN A 83 8.174 0.627 11.364 1.00 30.42 H new ATOM 0 HB2 GLN A 83 8.815 1.975 14.022 1.00 61.24 H new ATOM 0 HB3 GLN A 83 8.720 0.239 13.801 1.00 61.24 H new ATOM 0 HG2 GLN A 83 10.611 2.001 12.220 1.00 55.52 H new ATOM 0 HG3 GLN A 83 11.045 1.264 13.750 1.00 55.52 H new ATOM 0 HE21 GLN A 83 10.277 0.701 10.370 1.00 24.43 H new ATOM 0 HE22 GLN A 83 10.849 -0.970 10.315 1.00 24.43 H new ATOM 1265 N ASP A 84 5.620 2.029 12.163 1.00 30.25 N ATOM 1266 CA ASP A 84 4.271 2.075 12.685 1.00 73.53 C ATOM 1267 C ASP A 84 3.294 2.414 11.563 1.00 60.50 C ATOM 1268 O ASP A 84 3.423 3.454 10.911 1.00 1.45 O ATOM 1269 CB ASP A 84 4.183 3.115 13.807 1.00 65.30 C ATOM 1270 CG ASP A 84 2.934 2.962 14.637 1.00 12.01 C ATOM 1271 OD1 ASP A 84 1.912 3.557 14.285 1.00 43.42 O ATOM 1272 OD2 ASP A 84 2.976 2.234 15.649 1.00 5.04 O ATOM 0 H ASP A 84 5.803 2.703 11.419 1.00 30.25 H new ATOM 0 HA ASP A 84 4.008 1.099 13.093 1.00 73.53 H new ATOM 0 HB2 ASP A 84 5.057 3.025 14.452 1.00 65.30 H new ATOM 0 HB3 ASP A 84 4.208 4.115 13.374 1.00 65.30 H new ATOM 1277 N PRO A 85 2.306 1.526 11.314 1.00 33.12 N ATOM 1278 CA PRO A 85 1.325 1.692 10.228 1.00 60.15 C ATOM 1279 C PRO A 85 0.174 2.674 10.520 1.00 32.41 C ATOM 1280 O PRO A 85 -0.720 2.808 9.695 1.00 71.12 O ATOM 1281 CB PRO A 85 0.763 0.283 10.088 1.00 2.15 C ATOM 1282 CG PRO A 85 0.817 -0.276 11.459 1.00 31.10 C ATOM 1283 CD PRO A 85 2.095 0.246 12.039 1.00 0.40 C ATOM 0 HA PRO A 85 1.801 2.116 9.344 1.00 60.15 H new ATOM 0 HB2 PRO A 85 -0.258 0.299 9.706 1.00 2.15 H new ATOM 0 HB3 PRO A 85 1.354 -0.313 9.393 1.00 2.15 H new ATOM 0 HG2 PRO A 85 -0.043 0.041 12.049 1.00 31.10 H new ATOM 0 HG3 PRO A 85 0.807 -1.366 11.442 1.00 31.10 H new ATOM 0 HD2 PRO A 85 2.014 0.402 13.115 1.00 0.40 H new ATOM 0 HD3 PRO A 85 2.921 -0.447 11.879 1.00 0.40 H new ATOM 1291 N THR A 86 0.174 3.345 11.671 1.00 43.23 N ATOM 1292 CA THR A 86 -0.909 4.271 11.973 1.00 21.25 C ATOM 1293 C THR A 86 -0.394 5.671 12.362 1.00 62.54 C ATOM 1294 O THR A 86 -1.177 6.621 12.430 1.00 62.35 O ATOM 1295 CB THR A 86 -1.891 3.699 13.049 1.00 14.11 C ATOM 1296 OG1 THR A 86 -3.058 4.518 13.140 1.00 73.14 O ATOM 1297 CG2 THR A 86 -1.268 3.571 14.433 1.00 25.24 C ATOM 0 H THR A 86 0.893 3.267 12.391 1.00 43.23 H new ATOM 0 HA THR A 86 -1.476 4.388 11.050 1.00 21.25 H new ATOM 0 HB THR A 86 -2.149 2.694 12.714 1.00 14.11 H new ATOM 0 HG1 THR A 86 -3.831 4.026 12.792 1.00 73.14 H new ATOM 0 HG21 THR A 86 -2.005 3.168 15.128 1.00 25.24 H new ATOM 0 HG22 THR A 86 -0.410 2.900 14.385 1.00 25.24 H new ATOM 0 HG23 THR A 86 -0.942 4.552 14.778 1.00 25.24 H new ATOM 1305 N ASP A 87 0.918 5.816 12.580 1.00 4.54 N ATOM 1306 CA ASP A 87 1.480 7.109 12.975 1.00 23.13 C ATOM 1307 C ASP A 87 1.735 7.984 11.748 1.00 61.22 C ATOM 1308 O ASP A 87 2.752 7.853 11.054 1.00 15.41 O ATOM 1309 CB ASP A 87 2.757 6.940 13.804 1.00 75.13 C ATOM 1310 CG ASP A 87 3.162 8.241 14.473 1.00 52.31 C ATOM 1311 OD1 ASP A 87 2.589 8.576 15.528 1.00 71.45 O ATOM 1312 OD2 ASP A 87 4.036 8.947 13.937 1.00 2.34 O ATOM 0 H ASP A 87 1.601 5.064 12.491 1.00 4.54 H new ATOM 0 HA ASP A 87 0.747 7.610 13.607 1.00 23.13 H new ATOM 0 HB2 ASP A 87 2.601 6.173 14.562 1.00 75.13 H new ATOM 0 HB3 ASP A 87 3.566 6.593 13.161 1.00 75.13 H new ATOM 1317 N ILE A 88 0.773 8.866 11.491 1.00 43.55 N ATOM 1318 CA ILE A 88 0.750 9.702 10.301 1.00 41.42 C ATOM 1319 C ILE A 88 -0.301 10.815 10.493 1.00 71.24 C ATOM 1320 O ILE A 88 -1.274 10.631 11.228 1.00 33.41 O ATOM 1321 CB ILE A 88 0.457 8.829 9.025 1.00 12.02 C ATOM 1322 CG1 ILE A 88 0.551 9.646 7.725 1.00 33.32 C ATOM 1323 CG2 ILE A 88 -0.897 8.120 9.115 1.00 11.52 C ATOM 1324 CD1 ILE A 88 1.945 10.137 7.397 1.00 53.44 C ATOM 0 H ILE A 88 -0.021 9.020 12.113 1.00 43.55 H new ATOM 0 HA ILE A 88 1.724 10.169 10.150 1.00 41.42 H new ATOM 0 HB ILE A 88 1.236 8.067 8.995 1.00 12.02 H new ATOM 0 HG12 ILE A 88 0.190 9.034 6.898 1.00 33.32 H new ATOM 0 HG13 ILE A 88 -0.116 10.505 7.801 1.00 33.32 H new ATOM 0 HG21 ILE A 88 -1.059 7.529 8.214 1.00 11.52 H new ATOM 0 HG22 ILE A 88 -0.907 7.464 9.986 1.00 11.52 H new ATOM 0 HG23 ILE A 88 -1.690 8.861 9.210 1.00 11.52 H new ATOM 0 HD11 ILE A 88 1.922 10.703 6.466 1.00 53.44 H new ATOM 0 HD12 ILE A 88 2.304 10.778 8.202 1.00 53.44 H new ATOM 0 HD13 ILE A 88 2.614 9.284 7.286 1.00 53.44 H new ATOM 1336 N LYS A 89 -0.074 11.974 9.886 1.00 45.10 N ATOM 1337 CA LYS A 89 -1.038 13.064 9.928 1.00 60.11 C ATOM 1338 C LYS A 89 -1.340 13.563 8.516 1.00 23.51 C ATOM 1339 O LYS A 89 -0.424 13.805 7.721 1.00 12.24 O ATOM 1340 CB LYS A 89 -0.517 14.209 10.806 1.00 40.41 C ATOM 1341 CG LYS A 89 -1.445 15.414 10.857 1.00 53.42 C ATOM 1342 CD LYS A 89 -0.882 16.530 11.715 1.00 64.13 C ATOM 1343 CE LYS A 89 -1.698 17.804 11.576 1.00 61.44 C ATOM 1344 NZ LYS A 89 -3.121 17.604 11.951 1.00 15.05 N ATOM 0 H LYS A 89 0.773 12.182 9.357 1.00 45.10 H new ATOM 0 HA LYS A 89 -1.964 12.691 10.366 1.00 60.11 H new ATOM 0 HB2 LYS A 89 -0.364 13.837 11.819 1.00 40.41 H new ATOM 0 HB3 LYS A 89 0.456 14.527 10.432 1.00 40.41 H new ATOM 0 HG2 LYS A 89 -1.614 15.784 9.846 1.00 53.42 H new ATOM 0 HG3 LYS A 89 -2.414 15.108 11.250 1.00 53.42 H new ATOM 0 HD2 LYS A 89 -0.869 16.217 12.759 1.00 64.13 H new ATOM 0 HD3 LYS A 89 0.151 16.725 11.428 1.00 64.13 H new ATOM 0 HE2 LYS A 89 -1.264 18.581 12.205 1.00 61.44 H new ATOM 0 HE3 LYS A 89 -1.642 18.159 10.547 1.00 61.44 H new ATOM 0 HZ1 LYS A 89 -3.611 18.521 11.955 1.00 15.05 H new ATOM 0 HZ2 LYS A 89 -3.576 16.971 11.262 1.00 15.05 H new ATOM 0 HZ3 LYS A 89 -3.174 17.179 12.899 1.00 15.05 H new ATOM 1358 N TYR A 90 -2.628 13.695 8.212 1.00 40.15 N ATOM 1359 CA TYR A 90 -3.070 14.263 6.945 1.00 54.45 C ATOM 1360 C TYR A 90 -3.776 15.590 7.187 1.00 33.33 C ATOM 1361 O TYR A 90 -4.237 15.874 8.296 1.00 10.14 O ATOM 1362 CB TYR A 90 -4.035 13.324 6.195 1.00 42.13 C ATOM 1363 CG TYR A 90 -3.616 11.869 6.171 1.00 74.41 C ATOM 1364 CD1 TYR A 90 -2.550 11.445 5.394 1.00 32.22 C ATOM 1365 CD2 TYR A 90 -4.290 10.929 6.930 1.00 44.44 C ATOM 1366 CE1 TYR A 90 -2.166 10.124 5.373 1.00 42.33 C ATOM 1367 CE2 TYR A 90 -3.911 9.604 6.918 1.00 51.23 C ATOM 1368 CZ TYR A 90 -2.849 9.208 6.137 1.00 24.23 C ATOM 1369 OH TYR A 90 -2.472 7.888 6.119 1.00 14.40 O ATOM 0 H TYR A 90 -3.388 13.414 8.832 1.00 40.15 H new ATOM 0 HA TYR A 90 -2.180 14.407 6.332 1.00 54.45 H new ATOM 0 HB2 TYR A 90 -5.020 13.396 6.655 1.00 42.13 H new ATOM 0 HB3 TYR A 90 -4.136 13.675 5.168 1.00 42.13 H new ATOM 0 HD1 TYR A 90 -2.011 12.164 4.795 1.00 32.22 H new ATOM 0 HD2 TYR A 90 -5.125 11.238 7.541 1.00 44.44 H new ATOM 0 HE1 TYR A 90 -1.334 9.809 4.761 1.00 42.33 H new ATOM 0 HE2 TYR A 90 -4.444 8.881 7.518 1.00 51.23 H new ATOM 0 HH TYR A 90 -1.497 7.827 6.046 1.00 14.40 H new ATOM 1379 N LYS A 91 -3.825 16.402 6.143 1.00 33.11 N ATOM 1380 CA LYS A 91 -4.615 17.633 6.126 1.00 35.41 C ATOM 1381 C LYS A 91 -5.343 17.740 4.788 1.00 4.22 C ATOM 1382 O LYS A 91 -4.864 18.375 3.848 1.00 30.34 O ATOM 1383 CB LYS A 91 -3.751 18.898 6.417 1.00 42.12 C ATOM 1384 CG LYS A 91 -2.228 18.767 6.206 1.00 54.13 C ATOM 1385 CD LYS A 91 -1.802 18.643 4.738 1.00 42.30 C ATOM 1386 CE LYS A 91 -1.989 19.941 3.948 1.00 41.34 C ATOM 1387 NZ LYS A 91 -1.105 21.031 4.420 1.00 11.43 N ATOM 0 H LYS A 91 -3.316 16.229 5.276 1.00 33.11 H new ATOM 0 HA LYS A 91 -5.348 17.586 6.931 1.00 35.41 H new ATOM 0 HB2 LYS A 91 -4.113 19.709 5.784 1.00 42.12 H new ATOM 0 HB3 LYS A 91 -3.926 19.198 7.450 1.00 42.12 H new ATOM 0 HG2 LYS A 91 -1.737 19.637 6.642 1.00 54.13 H new ATOM 0 HG3 LYS A 91 -1.872 17.893 6.751 1.00 54.13 H new ATOM 0 HD2 LYS A 91 -0.754 18.345 4.694 1.00 42.30 H new ATOM 0 HD3 LYS A 91 -2.379 17.849 4.264 1.00 42.30 H new ATOM 0 HE2 LYS A 91 -1.792 19.751 2.893 1.00 41.34 H new ATOM 0 HE3 LYS A 91 -3.028 20.262 4.026 1.00 41.34 H new ATOM 0 HZ1 LYS A 91 -1.095 21.798 3.718 1.00 11.43 H new ATOM 0 HZ2 LYS A 91 -1.459 21.397 5.327 1.00 11.43 H new ATOM 0 HZ3 LYS A 91 -0.140 20.665 4.547 1.00 11.43 H new ATOM 1401 N ASP A 92 -6.506 17.100 4.692 1.00 1.51 N ATOM 1402 CA ASP A 92 -7.150 16.883 3.403 1.00 23.40 C ATOM 1403 C ASP A 92 -8.610 16.492 3.634 1.00 24.31 C ATOM 1404 O ASP A 92 -9.049 16.385 4.786 1.00 12.45 O ATOM 1405 CB ASP A 92 -6.394 15.780 2.662 1.00 52.55 C ATOM 1406 CG ASP A 92 -6.666 15.722 1.170 1.00 54.44 C ATOM 1407 OD1 ASP A 92 -6.367 16.702 0.464 1.00 32.31 O ATOM 1408 OD2 ASP A 92 -7.149 14.677 0.701 1.00 14.34 O ATOM 0 H ASP A 92 -7.019 16.724 5.490 1.00 1.51 H new ATOM 0 HA ASP A 92 -7.130 17.790 2.799 1.00 23.40 H new ATOM 0 HB2 ASP A 92 -5.325 15.922 2.818 1.00 52.55 H new ATOM 0 HB3 ASP A 92 -6.655 14.818 3.104 1.00 52.55 H new ATOM 1413 N ASN A 93 -9.350 16.262 2.553 1.00 13.42 N ATOM 1414 CA ASN A 93 -10.698 15.717 2.630 1.00 71.51 C ATOM 1415 C ASN A 93 -10.650 14.176 2.655 1.00 24.42 C ATOM 1416 O ASN A 93 -11.622 13.523 3.039 1.00 70.40 O ATOM 1417 CB ASN A 93 -11.528 16.204 1.431 1.00 33.41 C ATOM 1418 CG ASN A 93 -13.030 16.056 1.614 1.00 73.03 C ATOM 1419 OD1 ASN A 93 -13.513 16.230 2.834 1.00 1.11 O flip ATOM 1420 ND2 ASN A 93 -13.753 15.798 0.653 1.00 74.33 N flip ATOM 0 H ASN A 93 -9.031 16.448 1.602 1.00 13.42 H new ATOM 0 HA ASN A 93 -11.168 16.064 3.550 1.00 71.51 H new ATOM 0 HB2 ASN A 93 -11.297 17.253 1.245 1.00 33.41 H new ATOM 0 HB3 ASN A 93 -11.225 15.649 0.543 1.00 33.41 H new ATOM 0 HD21 ASN A 93 -13.344 15.671 -0.273 1.00 74.33 H new ATOM 0 HD22 ASN A 93 -14.761 15.712 0.782 1.00 74.33 H new ATOM 1427 N ASP A 94 -9.496 13.596 2.281 1.00 25.12 N ATOM 1428 CA ASP A 94 -9.361 12.152 2.198 1.00 23.24 C ATOM 1429 C ASP A 94 -8.138 11.692 2.973 1.00 61.32 C ATOM 1430 O ASP A 94 -8.260 10.888 3.892 1.00 12.02 O ATOM 1431 CB ASP A 94 -9.242 11.680 0.746 1.00 51.01 C ATOM 1432 CG ASP A 94 -9.718 10.249 0.571 1.00 41.55 C ATOM 1433 OD1 ASP A 94 -8.977 9.315 0.932 1.00 1.30 O ATOM 1434 OD2 ASP A 94 -10.839 10.050 0.056 1.00 42.13 O ATOM 0 H ASP A 94 -8.652 14.113 2.034 1.00 25.12 H new ATOM 0 HA ASP A 94 -10.261 11.716 2.632 1.00 23.24 H new ATOM 0 HB2 ASP A 94 -9.826 12.337 0.102 1.00 51.01 H new ATOM 0 HB3 ASP A 94 -8.204 11.758 0.423 1.00 51.01 H new ATOM 1439 N GLY A 95 -6.965 12.246 2.637 1.00 60.53 N ATOM 1440 CA GLY A 95 -5.735 11.742 3.214 1.00 63.11 C ATOM 1441 C GLY A 95 -4.467 12.154 2.482 1.00 64.44 C ATOM 1442 O GLY A 95 -3.590 11.335 2.277 1.00 61.55 O ATOM 0 H GLY A 95 -6.853 13.022 1.985 1.00 60.53 H new ATOM 0 HA2 GLY A 95 -5.668 12.085 4.247 1.00 63.11 H new ATOM 0 HA3 GLY A 95 -5.783 10.653 3.242 1.00 63.11 H new ATOM 1446 N HIS A 96 -4.344 13.420 2.114 1.00 1.33 N ATOM 1447 CA HIS A 96 -3.072 13.955 1.629 1.00 33.53 C ATOM 1448 C HIS A 96 -2.254 14.439 2.810 1.00 1.55 C ATOM 1449 O HIS A 96 -2.734 15.209 3.640 1.00 63.12 O ATOM 1450 CB HIS A 96 -3.254 15.091 0.617 1.00 12.42 C ATOM 1451 CG HIS A 96 -3.622 14.626 -0.760 1.00 61.31 C ATOM 1452 ND1 HIS A 96 -4.683 15.143 -1.465 1.00 3.05 N ATOM 1453 CD2 HIS A 96 -3.058 13.698 -1.564 1.00 73.45 C ATOM 1454 CE1 HIS A 96 -4.759 14.558 -2.642 1.00 52.11 C ATOM 1455 NE2 HIS A 96 -3.784 13.677 -2.732 1.00 31.23 N ATOM 0 H HIS A 96 -5.105 14.098 2.140 1.00 1.33 H new ATOM 0 HA HIS A 96 -2.553 13.151 1.108 1.00 33.53 H new ATOM 0 HB2 HIS A 96 -4.028 15.767 0.980 1.00 12.42 H new ATOM 0 HB3 HIS A 96 -2.329 15.666 0.561 1.00 12.42 H new ATOM 0 HD1 HIS A 96 -5.315 15.869 -1.128 1.00 3.05 H new ATOM 0 HD2 HIS A 96 -2.198 13.087 -1.333 1.00 73.45 H new ATOM 0 HE1 HIS A 96 -5.496 14.765 -3.404 1.00 52.11 H new ATOM 0 HE2 HIS A 96 -3.598 13.078 -3.536 1.00 31.23 H new ATOM 1464 N THR A 97 -1.020 13.994 2.857 1.00 44.41 N ATOM 1465 CA THR A 97 -0.189 14.176 4.027 1.00 74.25 C ATOM 1466 C THR A 97 0.830 15.296 3.815 1.00 55.44 C ATOM 1467 O THR A 97 1.358 15.486 2.712 1.00 4.23 O ATOM 1468 CB THR A 97 0.498 12.840 4.434 1.00 4.43 C ATOM 1469 OG1 THR A 97 1.367 13.026 5.551 1.00 5.52 O ATOM 1470 CG2 THR A 97 1.272 12.214 3.288 1.00 34.05 C ATOM 0 H THR A 97 -0.565 13.498 2.091 1.00 44.41 H new ATOM 0 HA THR A 97 -0.832 14.479 4.854 1.00 74.25 H new ATOM 0 HB THR A 97 -0.305 12.157 4.711 1.00 4.43 H new ATOM 0 HG1 THR A 97 0.841 13.294 6.333 1.00 5.52 H new ATOM 0 HG21 THR A 97 1.732 11.285 3.624 1.00 34.05 H new ATOM 0 HG22 THR A 97 0.593 12.004 2.462 1.00 34.05 H new ATOM 0 HG23 THR A 97 2.048 12.903 2.954 1.00 34.05 H new ATOM 1478 N ASP A 98 1.075 16.042 4.888 1.00 30.35 N ATOM 1479 CA ASP A 98 2.055 17.129 4.883 1.00 23.41 C ATOM 1480 C ASP A 98 3.450 16.576 5.225 1.00 12.23 C ATOM 1481 O ASP A 98 4.469 17.233 5.019 1.00 71.21 O ATOM 1482 CB ASP A 98 1.629 18.194 5.903 1.00 40.42 C ATOM 1483 CG ASP A 98 2.265 19.557 5.682 1.00 34.44 C ATOM 1484 OD1 ASP A 98 1.695 20.359 4.918 1.00 1.24 O ATOM 1485 OD2 ASP A 98 3.312 19.844 6.299 1.00 33.30 O ATOM 0 H ASP A 98 0.603 15.913 5.783 1.00 30.35 H new ATOM 0 HA ASP A 98 2.100 17.583 3.893 1.00 23.41 H new ATOM 0 HB2 ASP A 98 0.545 18.301 5.868 1.00 40.42 H new ATOM 0 HB3 ASP A 98 1.883 17.845 6.904 1.00 40.42 H new ATOM 1490 N ALA A 99 3.469 15.336 5.717 1.00 0.14 N ATOM 1491 CA ALA A 99 4.689 14.677 6.152 1.00 64.42 C ATOM 1492 C ALA A 99 5.441 14.038 4.977 1.00 71.33 C ATOM 1493 O ALA A 99 6.675 14.072 4.936 1.00 40.13 O ATOM 1494 CB ALA A 99 4.352 13.640 7.209 1.00 42.21 C ATOM 0 H ALA A 99 2.632 14.763 5.823 1.00 0.14 H new ATOM 0 HA ALA A 99 5.353 15.428 6.581 1.00 64.42 H new ATOM 0 HB1 ALA A 99 5.266 13.144 7.537 1.00 42.21 H new ATOM 0 HB2 ALA A 99 3.879 14.129 8.061 1.00 42.21 H new ATOM 0 HB3 ALA A 99 3.669 12.901 6.789 1.00 42.21 H new ATOM 1500 N ILE A 100 4.705 13.446 4.030 1.00 14.32 N ATOM 1501 CA ILE A 100 5.322 12.858 2.840 1.00 53.41 C ATOM 1502 C ILE A 100 5.117 13.790 1.641 1.00 30.13 C ATOM 1503 O ILE A 100 4.053 13.788 1.006 1.00 52.13 O ATOM 1504 CB ILE A 100 4.763 11.442 2.506 1.00 10.22 C ATOM 1505 CG1 ILE A 100 4.707 10.567 3.769 1.00 10.24 C ATOM 1506 CG2 ILE A 100 5.632 10.770 1.437 1.00 23.40 C ATOM 1507 CD1 ILE A 100 3.930 9.277 3.599 1.00 51.21 C ATOM 0 H ILE A 100 3.689 13.362 4.065 1.00 14.32 H new ATOM 0 HA ILE A 100 6.384 12.740 3.054 1.00 53.41 H new ATOM 0 HB ILE A 100 3.750 11.555 2.120 1.00 10.22 H new ATOM 0 HG12 ILE A 100 5.725 10.327 4.076 1.00 10.24 H new ATOM 0 HG13 ILE A 100 4.258 11.144 4.577 1.00 10.24 H new ATOM 0 HG21 ILE A 100 5.232 9.781 1.212 1.00 23.40 H new ATOM 0 HG22 ILE A 100 5.630 11.377 0.532 1.00 23.40 H new ATOM 0 HG23 ILE A 100 6.653 10.673 1.806 1.00 23.40 H new ATOM 0 HD11 ILE A 100 3.940 8.720 4.536 1.00 51.21 H new ATOM 0 HD12 ILE A 100 2.900 9.506 3.324 1.00 51.21 H new ATOM 0 HD13 ILE A 100 4.390 8.676 2.815 1.00 51.21 H new ATOM 1519 N SER A 101 6.124 14.621 1.384 1.00 41.40 N ATOM 1520 CA SER A 101 6.129 15.516 0.231 1.00 2.34 C ATOM 1521 C SER A 101 6.519 14.747 -1.034 1.00 34.42 C ATOM 1522 O SER A 101 7.642 14.249 -1.157 1.00 43.22 O ATOM 1523 CB SER A 101 7.093 16.687 0.479 1.00 71.13 C ATOM 1524 OG SER A 101 7.040 17.637 -0.569 1.00 3.34 O ATOM 0 H SER A 101 6.957 14.693 1.968 1.00 41.40 H new ATOM 0 HA SER A 101 5.127 15.919 0.088 1.00 2.34 H new ATOM 0 HB2 SER A 101 6.843 17.171 1.423 1.00 71.13 H new ATOM 0 HB3 SER A 101 8.110 16.307 0.576 1.00 71.13 H new ATOM 0 HG SER A 101 7.663 18.369 -0.379 1.00 3.34 H new ATOM 1530 N GLY A 102 5.566 14.632 -1.951 1.00 52.42 N ATOM 1531 CA GLY A 102 5.787 13.906 -3.188 1.00 34.43 C ATOM 1532 C GLY A 102 4.630 12.991 -3.538 1.00 54.04 C ATOM 1533 O GLY A 102 4.454 12.633 -4.698 1.00 52.13 O ATOM 0 H GLY A 102 4.633 15.034 -1.858 1.00 52.42 H new ATOM 0 HA2 GLY A 102 5.943 14.617 -4.000 1.00 34.43 H new ATOM 0 HA3 GLY A 102 6.699 13.316 -3.101 1.00 34.43 H new ATOM 1537 N ALA A 103 3.846 12.618 -2.529 1.00 20.35 N ATOM 1538 CA ALA A 103 2.700 11.733 -2.716 1.00 75.05 C ATOM 1539 C ALA A 103 1.491 12.490 -3.270 1.00 21.24 C ATOM 1540 O ALA A 103 0.910 13.345 -2.596 1.00 42.54 O ATOM 1541 CB ALA A 103 2.352 11.056 -1.404 1.00 74.03 C ATOM 0 H ALA A 103 3.986 12.919 -1.565 1.00 20.35 H new ATOM 0 HA ALA A 103 2.972 10.973 -3.449 1.00 75.05 H new ATOM 0 HB1 ALA A 103 1.496 10.397 -1.550 1.00 74.03 H new ATOM 0 HB2 ALA A 103 3.205 10.472 -1.059 1.00 74.03 H new ATOM 0 HB3 ALA A 103 2.105 11.812 -0.659 1.00 74.03 H new ATOM 1547 N THR A 104 1.134 12.166 -4.509 1.00 74.50 N ATOM 1548 CA THR A 104 0.052 12.847 -5.220 1.00 52.24 C ATOM 1549 C THR A 104 -1.297 12.144 -4.996 1.00 35.10 C ATOM 1550 O THR A 104 -2.359 12.768 -5.074 1.00 32.21 O ATOM 1551 CB THR A 104 0.385 12.940 -6.728 1.00 21.34 C ATOM 1552 OG1 THR A 104 1.733 13.400 -6.876 1.00 64.10 O ATOM 1553 CG2 THR A 104 -0.541 13.903 -7.465 1.00 71.24 C ATOM 0 H THR A 104 1.584 11.427 -5.049 1.00 74.50 H new ATOM 0 HA THR A 104 -0.039 13.856 -4.819 1.00 52.24 H new ATOM 0 HB THR A 104 0.252 11.948 -7.160 1.00 21.34 H new ATOM 0 HG1 THR A 104 1.955 13.461 -7.829 1.00 64.10 H new ATOM 0 HG21 THR A 104 -0.268 13.934 -8.520 1.00 71.24 H new ATOM 0 HG22 THR A 104 -1.572 13.563 -7.367 1.00 71.24 H new ATOM 0 HG23 THR A 104 -0.445 14.900 -7.036 1.00 71.24 H new ATOM 1561 N ILE A 105 -1.248 10.852 -4.698 1.00 13.22 N ATOM 1562 CA ILE A 105 -2.443 10.101 -4.345 1.00 3.30 C ATOM 1563 C ILE A 105 -2.569 10.081 -2.808 1.00 14.15 C ATOM 1564 O ILE A 105 -1.555 10.166 -2.105 1.00 42.14 O ATOM 1565 CB ILE A 105 -2.401 8.676 -5.011 1.00 32.42 C ATOM 1566 CG1 ILE A 105 -3.774 7.942 -4.957 1.00 51.30 C ATOM 1567 CG2 ILE A 105 -1.258 7.812 -4.467 1.00 4.24 C ATOM 1568 CD1 ILE A 105 -4.044 7.041 -3.756 1.00 30.24 C ATOM 0 H ILE A 105 -0.389 10.302 -4.694 1.00 13.22 H new ATOM 0 HA ILE A 105 -3.345 10.574 -4.734 1.00 3.30 H new ATOM 0 HB ILE A 105 -2.190 8.844 -6.067 1.00 32.42 H new ATOM 0 HG12 ILE A 105 -4.560 8.696 -4.995 1.00 51.30 H new ATOM 0 HG13 ILE A 105 -3.868 7.337 -5.859 1.00 51.30 H new ATOM 0 HG21 ILE A 105 -1.272 6.839 -4.958 1.00 4.24 H new ATOM 0 HG22 ILE A 105 -0.305 8.304 -4.663 1.00 4.24 H new ATOM 0 HG23 ILE A 105 -1.383 7.678 -3.392 1.00 4.24 H new ATOM 0 HD11 ILE A 105 -5.035 6.596 -3.850 1.00 30.24 H new ATOM 0 HD12 ILE A 105 -3.294 6.251 -3.718 1.00 30.24 H new ATOM 0 HD13 ILE A 105 -3.997 7.631 -2.841 1.00 30.24 H new ATOM 1580 N LYS A 106 -3.814 10.058 -2.307 1.00 1.52 N ATOM 1581 CA LYS A 106 -4.092 10.065 -0.868 1.00 33.24 C ATOM 1582 C LYS A 106 -3.554 8.815 -0.157 1.00 4.14 C ATOM 1583 O LYS A 106 -3.949 7.680 -0.430 1.00 62.14 O ATOM 1584 CB LYS A 106 -5.595 10.278 -0.570 1.00 31.23 C ATOM 1585 CG LYS A 106 -6.565 9.341 -1.285 1.00 61.41 C ATOM 1586 CD LYS A 106 -6.969 9.861 -2.657 1.00 44.33 C ATOM 1587 CE LYS A 106 -8.039 8.997 -3.292 1.00 12.51 C ATOM 1588 NZ LYS A 106 -9.327 9.071 -2.553 1.00 73.11 N ATOM 0 H LYS A 106 -4.652 10.034 -2.888 1.00 1.52 H new ATOM 0 HA LYS A 106 -3.551 10.919 -0.459 1.00 33.24 H new ATOM 0 HB2 LYS A 106 -5.749 10.175 0.504 1.00 31.23 H new ATOM 0 HB3 LYS A 106 -5.854 11.304 -0.832 1.00 31.23 H new ATOM 0 HG2 LYS A 106 -6.104 8.359 -1.393 1.00 61.41 H new ATOM 0 HG3 LYS A 106 -7.457 9.209 -0.672 1.00 61.41 H new ATOM 0 HD2 LYS A 106 -7.334 10.884 -2.565 1.00 44.33 H new ATOM 0 HD3 LYS A 106 -6.094 9.892 -3.306 1.00 44.33 H new ATOM 0 HE2 LYS A 106 -8.195 9.313 -4.324 1.00 12.51 H new ATOM 0 HE3 LYS A 106 -7.698 7.962 -3.323 1.00 12.51 H new ATOM 0 HZ1 LYS A 106 -10.089 8.682 -3.144 1.00 73.11 H new ATOM 0 HZ2 LYS A 106 -9.255 8.520 -1.674 1.00 73.11 H new ATOM 0 HZ3 LYS A 106 -9.539 10.063 -2.323 1.00 73.11 H new ATOM 1602 N VAL A 107 -2.687 9.097 0.807 1.00 63.11 N ATOM 1603 CA VAL A 107 -1.877 8.124 1.550 1.00 13.34 C ATOM 1604 C VAL A 107 -2.696 7.420 2.657 1.00 63.32 C ATOM 1605 O VAL A 107 -2.237 6.451 3.275 1.00 32.21 O ATOM 1606 CB VAL A 107 -0.640 8.889 2.132 1.00 64.12 C ATOM 1607 CG1 VAL A 107 0.286 8.034 2.967 1.00 34.22 C ATOM 1608 CG2 VAL A 107 0.158 9.497 1.005 1.00 22.10 C ATOM 0 H VAL A 107 -2.517 10.056 1.111 1.00 63.11 H new ATOM 0 HA VAL A 107 -1.543 7.328 0.885 1.00 13.34 H new ATOM 0 HB VAL A 107 -1.052 9.651 2.794 1.00 64.12 H new ATOM 0 HG11 VAL A 107 1.114 8.642 3.330 1.00 34.22 H new ATOM 0 HG12 VAL A 107 -0.263 7.625 3.815 1.00 34.22 H new ATOM 0 HG13 VAL A 107 0.675 7.217 2.359 1.00 34.22 H new ATOM 0 HG21 VAL A 107 1.018 10.028 1.413 1.00 22.10 H new ATOM 0 HG22 VAL A 107 0.503 8.708 0.337 1.00 22.10 H new ATOM 0 HG23 VAL A 107 -0.469 10.194 0.450 1.00 22.10 H new ATOM 1618 N LYS A 108 -3.943 7.886 2.850 1.00 5.12 N ATOM 1619 CA LYS A 108 -4.856 7.341 3.855 1.00 5.14 C ATOM 1620 C LYS A 108 -5.110 5.843 3.626 1.00 51.23 C ATOM 1621 O LYS A 108 -5.180 5.087 4.577 1.00 24.33 O ATOM 1622 CB LYS A 108 -6.171 8.142 3.836 1.00 12.12 C ATOM 1623 CG LYS A 108 -6.916 8.219 5.180 1.00 14.23 C ATOM 1624 CD LYS A 108 -7.725 6.969 5.510 1.00 23.01 C ATOM 1625 CE LYS A 108 -8.812 6.696 4.475 1.00 2.33 C ATOM 1626 NZ LYS A 108 -9.591 5.491 4.816 1.00 71.34 N ATOM 0 H LYS A 108 -4.341 8.653 2.309 1.00 5.12 H new ATOM 0 HA LYS A 108 -4.397 7.436 4.839 1.00 5.14 H new ATOM 0 HB2 LYS A 108 -5.954 9.156 3.502 1.00 12.12 H new ATOM 0 HB3 LYS A 108 -6.837 7.698 3.096 1.00 12.12 H new ATOM 0 HG2 LYS A 108 -6.192 8.392 5.976 1.00 14.23 H new ATOM 0 HG3 LYS A 108 -7.585 9.079 5.165 1.00 14.23 H new ATOM 0 HD2 LYS A 108 -7.056 6.110 5.567 1.00 23.01 H new ATOM 0 HD3 LYS A 108 -8.182 7.083 6.493 1.00 23.01 H new ATOM 0 HE2 LYS A 108 -9.479 7.556 4.411 1.00 2.33 H new ATOM 0 HE3 LYS A 108 -8.357 6.571 3.492 1.00 2.33 H new ATOM 0 HZ1 LYS A 108 -9.834 4.977 3.945 1.00 71.34 H new ATOM 0 HZ2 LYS A 108 -9.026 4.876 5.435 1.00 71.34 H new ATOM 0 HZ3 LYS A 108 -10.464 5.770 5.308 1.00 71.34 H new ATOM 1640 N LYS A 109 -5.185 5.428 2.357 1.00 4.25 N ATOM 1641 CA LYS A 109 -5.405 4.026 1.988 1.00 75.33 C ATOM 1642 C LYS A 109 -4.195 3.136 2.340 1.00 2.12 C ATOM 1643 O LYS A 109 -4.367 1.983 2.724 1.00 55.42 O ATOM 1644 CB LYS A 109 -5.684 3.954 0.482 1.00 71.11 C ATOM 1645 CG LYS A 109 -6.157 2.595 -0.024 1.00 74.20 C ATOM 1646 CD LYS A 109 -7.677 2.497 -0.111 1.00 63.55 C ATOM 1647 CE LYS A 109 -8.269 3.485 -1.119 1.00 24.53 C ATOM 1648 NZ LYS A 109 -7.723 3.313 -2.495 1.00 65.14 N ATOM 0 H LYS A 109 -5.095 6.055 1.557 1.00 4.25 H new ATOM 0 HA LYS A 109 -6.256 3.650 2.556 1.00 75.33 H new ATOM 0 HB2 LYS A 109 -6.438 4.700 0.232 1.00 71.11 H new ATOM 0 HB3 LYS A 109 -4.775 4.228 -0.054 1.00 71.11 H new ATOM 0 HG2 LYS A 109 -5.728 2.409 -1.008 1.00 74.20 H new ATOM 0 HG3 LYS A 109 -5.784 1.815 0.639 1.00 74.20 H new ATOM 0 HD2 LYS A 109 -7.957 1.482 -0.394 1.00 63.55 H new ATOM 0 HD3 LYS A 109 -8.107 2.684 0.873 1.00 63.55 H new ATOM 0 HE2 LYS A 109 -9.352 3.362 -1.146 1.00 24.53 H new ATOM 0 HE3 LYS A 109 -8.072 4.502 -0.781 1.00 24.53 H new ATOM 0 HZ1 LYS A 109 -8.266 3.900 -3.160 1.00 65.14 H new ATOM 0 HZ2 LYS A 109 -6.725 3.604 -2.511 1.00 65.14 H new ATOM 0 HZ3 LYS A 109 -7.797 2.314 -2.775 1.00 65.14 H new ATOM 1662 N PHE A 110 -2.983 3.696 2.220 1.00 3.32 N ATOM 1663 CA PHE A 110 -1.735 2.967 2.480 1.00 44.23 C ATOM 1664 C PHE A 110 -1.621 2.604 3.949 1.00 34.34 C ATOM 1665 O PHE A 110 -1.436 1.439 4.278 1.00 24.15 O ATOM 1666 CB PHE A 110 -0.513 3.803 2.034 1.00 71.05 C ATOM 1667 CG PHE A 110 0.821 3.207 2.393 1.00 75.02 C ATOM 1668 CD1 PHE A 110 1.368 2.163 1.664 1.00 21.22 C ATOM 1669 CD2 PHE A 110 1.518 3.691 3.484 1.00 21.13 C ATOM 1670 CE1 PHE A 110 2.582 1.613 2.029 1.00 62.43 C ATOM 1671 CE2 PHE A 110 2.726 3.152 3.847 1.00 33.40 C ATOM 1672 CZ PHE A 110 3.259 2.111 3.125 1.00 41.10 C ATOM 0 H PHE A 110 -2.841 4.667 1.940 1.00 3.32 H new ATOM 0 HA PHE A 110 -1.753 2.045 1.899 1.00 44.23 H new ATOM 0 HB2 PHE A 110 -0.557 3.937 0.953 1.00 71.05 H new ATOM 0 HB3 PHE A 110 -0.585 4.794 2.482 1.00 71.05 H new ATOM 0 HD1 PHE A 110 0.841 1.776 0.804 1.00 21.22 H new ATOM 0 HD2 PHE A 110 1.105 4.506 4.060 1.00 21.13 H new ATOM 0 HE1 PHE A 110 3.000 0.796 1.459 1.00 62.43 H new ATOM 0 HE2 PHE A 110 3.258 3.546 4.700 1.00 33.40 H new ATOM 0 HZ PHE A 110 4.207 1.682 3.415 1.00 41.10 H new ATOM 1682 N PHE A 111 -1.742 3.610 4.811 1.00 51.33 N ATOM 1683 CA PHE A 111 -1.621 3.399 6.244 1.00 61.22 C ATOM 1684 C PHE A 111 -2.836 2.649 6.805 1.00 65.20 C ATOM 1685 O PHE A 111 -2.693 1.919 7.773 1.00 22.10 O ATOM 1686 CB PHE A 111 -1.392 4.724 6.975 1.00 21.24 C ATOM 1687 CG PHE A 111 0.035 5.220 6.912 1.00 71.42 C ATOM 1688 CD1 PHE A 111 0.959 4.825 7.862 1.00 31.12 C ATOM 1689 CD2 PHE A 111 0.448 6.081 5.915 1.00 2.32 C ATOM 1690 CE1 PHE A 111 2.262 5.273 7.824 1.00 74.44 C ATOM 1691 CE2 PHE A 111 1.756 6.535 5.867 1.00 0.31 C ATOM 1692 CZ PHE A 111 2.662 6.130 6.823 1.00 44.24 C ATOM 0 H PHE A 111 -1.923 4.576 4.539 1.00 51.33 H new ATOM 0 HA PHE A 111 -0.747 2.770 6.416 1.00 61.22 H new ATOM 0 HB2 PHE A 111 -2.049 5.482 6.548 1.00 21.24 H new ATOM 0 HB3 PHE A 111 -1.679 4.606 8.020 1.00 21.24 H new ATOM 0 HD1 PHE A 111 0.654 4.152 8.650 1.00 31.12 H new ATOM 0 HD2 PHE A 111 -0.257 6.404 5.164 1.00 2.32 H new ATOM 0 HE1 PHE A 111 2.967 4.953 8.577 1.00 74.44 H new ATOM 0 HE2 PHE A 111 2.066 7.207 5.080 1.00 0.31 H new ATOM 0 HZ PHE A 111 3.682 6.483 6.787 1.00 44.24 H new ATOM 1702 N ASP A 112 -4.010 2.798 6.158 1.00 22.51 N ATOM 1703 CA ASP A 112 -5.239 2.064 6.534 1.00 71.44 C ATOM 1704 C ASP A 112 -5.038 0.571 6.392 1.00 4.44 C ATOM 1705 O ASP A 112 -5.227 -0.179 7.338 1.00 23.43 O ATOM 1706 CB ASP A 112 -6.411 2.445 5.638 1.00 24.01 C ATOM 1707 CG ASP A 112 -7.734 2.467 6.379 1.00 63.25 C ATOM 1708 OD1 ASP A 112 -8.259 1.388 6.717 1.00 50.10 O ATOM 1709 OD2 ASP A 112 -8.271 3.569 6.611 1.00 2.00 O ATOM 0 H ASP A 112 -4.134 3.427 5.364 1.00 22.51 H new ATOM 0 HA ASP A 112 -5.454 2.330 7.569 1.00 71.44 H new ATOM 0 HB2 ASP A 112 -6.226 3.428 5.204 1.00 24.01 H new ATOM 0 HB3 ASP A 112 -6.475 1.738 4.811 1.00 24.01 H new ATOM 1714 N LEU A 113 -4.608 0.171 5.195 1.00 24.33 N ATOM 1715 CA LEU A 113 -4.424 -1.235 4.848 1.00 53.22 C ATOM 1716 C LEU A 113 -3.186 -1.833 5.524 1.00 13.45 C ATOM 1717 O LEU A 113 -3.117 -3.038 5.727 1.00 71.12 O ATOM 1718 CB LEU A 113 -4.350 -1.398 3.321 1.00 34.30 C ATOM 1719 CG LEU A 113 -5.678 -1.683 2.578 1.00 32.12 C ATOM 1720 CD1 LEU A 113 -6.368 -2.902 3.155 1.00 40.44 C ATOM 1721 CD2 LEU A 113 -6.625 -0.488 2.602 1.00 22.54 C ATOM 0 H LEU A 113 -4.378 0.815 4.439 1.00 24.33 H new ATOM 0 HA LEU A 113 -5.287 -1.787 5.220 1.00 53.22 H new ATOM 0 HB2 LEU A 113 -3.917 -0.489 2.904 1.00 34.30 H new ATOM 0 HB3 LEU A 113 -3.658 -2.210 3.100 1.00 34.30 H new ATOM 0 HG LEU A 113 -5.418 -1.877 1.537 1.00 32.12 H new ATOM 0 HD11 LEU A 113 -7.299 -3.082 2.617 1.00 40.44 H new ATOM 0 HD12 LEU A 113 -5.717 -3.770 3.055 1.00 40.44 H new ATOM 0 HD13 LEU A 113 -6.586 -2.732 4.209 1.00 40.44 H new ATOM 0 HD21 LEU A 113 -7.541 -0.739 2.068 1.00 22.54 H new ATOM 0 HD22 LEU A 113 -6.865 -0.235 3.635 1.00 22.54 H new ATOM 0 HD23 LEU A 113 -6.147 0.365 2.121 1.00 22.54 H new ATOM 1733 N ALA A 114 -2.215 -0.980 5.868 1.00 71.40 N ATOM 1734 CA ALA A 114 -1.055 -1.384 6.665 1.00 43.33 C ATOM 1735 C ALA A 114 -1.453 -1.763 8.099 1.00 64.34 C ATOM 1736 O ALA A 114 -0.907 -2.709 8.661 1.00 21.03 O ATOM 1737 CB ALA A 114 -0.022 -0.272 6.678 1.00 50.30 C ATOM 0 H ALA A 114 -2.212 0.005 5.603 1.00 71.40 H new ATOM 0 HA ALA A 114 -0.623 -2.271 6.202 1.00 43.33 H new ATOM 0 HB1 ALA A 114 0.837 -0.581 7.273 1.00 50.30 H new ATOM 0 HB2 ALA A 114 0.299 -0.062 5.658 1.00 50.30 H new ATOM 0 HB3 ALA A 114 -0.460 0.627 7.112 1.00 50.30 H new ATOM 1743 N GLN A 115 -2.420 -1.019 8.666 1.00 51.41 N ATOM 1744 CA GLN A 115 -2.999 -1.316 9.990 1.00 21.31 C ATOM 1745 C GLN A 115 -3.733 -2.655 9.981 1.00 72.53 C ATOM 1746 O GLN A 115 -3.629 -3.449 10.922 1.00 64.44 O ATOM 1747 CB GLN A 115 -3.999 -0.222 10.393 1.00 50.20 C ATOM 1748 CG GLN A 115 -3.370 1.102 10.779 1.00 11.40 C ATOM 1749 CD GLN A 115 -4.387 2.226 10.892 1.00 50.42 C ATOM 1750 OE1 GLN A 115 -4.985 2.428 11.937 1.00 43.12 O ATOM 1751 NE2 GLN A 115 -4.548 2.999 9.835 1.00 52.31 N ATOM 0 H GLN A 115 -2.822 -0.195 8.220 1.00 51.41 H new ATOM 0 HA GLN A 115 -2.176 -1.357 10.704 1.00 21.31 H new ATOM 0 HB2 GLN A 115 -4.686 -0.054 9.564 1.00 50.20 H new ATOM 0 HB3 GLN A 115 -4.594 -0.584 11.232 1.00 50.20 H new ATOM 0 HG2 GLN A 115 -2.852 0.989 11.732 1.00 11.40 H new ATOM 0 HG3 GLN A 115 -2.618 1.372 10.038 1.00 11.40 H new ATOM 0 HE21 GLN A 115 -4.033 2.803 8.977 1.00 52.31 H new ATOM 0 HE22 GLN A 115 -5.187 3.793 9.876 1.00 52.31 H new ATOM 1760 N LYS A 116 -4.453 -2.894 8.882 1.00 34.42 N ATOM 1761 CA LYS A 116 -5.295 -4.076 8.707 1.00 1.01 C ATOM 1762 C LYS A 116 -4.458 -5.335 8.469 1.00 72.35 C ATOM 1763 O LYS A 116 -4.901 -6.437 8.773 1.00 30.33 O ATOM 1764 CB LYS A 116 -6.274 -3.842 7.550 1.00 72.44 C ATOM 1765 CG LYS A 116 -7.185 -2.641 7.783 1.00 72.03 C ATOM 1766 CD LYS A 116 -7.920 -2.215 6.522 1.00 4.40 C ATOM 1767 CE LYS A 116 -9.072 -3.143 6.173 1.00 64.51 C ATOM 1768 NZ LYS A 116 -10.233 -2.974 7.085 1.00 70.33 N ATOM 0 H LYS A 116 -4.467 -2.264 8.080 1.00 34.42 H new ATOM 0 HA LYS A 116 -5.859 -4.237 9.626 1.00 1.01 H new ATOM 0 HB2 LYS A 116 -5.712 -3.693 6.628 1.00 72.44 H new ATOM 0 HB3 LYS A 116 -6.884 -4.734 7.410 1.00 72.44 H new ATOM 0 HG2 LYS A 116 -7.911 -2.885 8.558 1.00 72.03 H new ATOM 0 HG3 LYS A 116 -6.592 -1.805 8.154 1.00 72.03 H new ATOM 0 HD2 LYS A 116 -8.301 -1.202 6.653 1.00 4.40 H new ATOM 0 HD3 LYS A 116 -7.217 -2.186 5.689 1.00 4.40 H new ATOM 0 HE2 LYS A 116 -9.389 -2.954 5.147 1.00 64.51 H new ATOM 0 HE3 LYS A 116 -8.728 -4.176 6.215 1.00 64.51 H new ATOM 0 HZ1 LYS A 116 -11.038 -3.526 6.728 1.00 70.33 H new ATOM 0 HZ2 LYS A 116 -9.979 -3.309 8.036 1.00 70.33 H new ATOM 0 HZ3 LYS A 116 -10.495 -1.969 7.130 1.00 70.33 H new ATOM 1782 N ALA A 117 -3.258 -5.150 7.920 1.00 32.31 N ATOM 1783 CA ALA A 117 -2.322 -6.234 7.649 1.00 23.32 C ATOM 1784 C ALA A 117 -1.789 -6.878 8.932 1.00 44.42 C ATOM 1785 O ALA A 117 -1.672 -8.099 9.017 1.00 53.34 O ATOM 1786 CB ALA A 117 -1.174 -5.694 6.820 1.00 14.44 C ATOM 0 H ALA A 117 -2.907 -4.232 7.649 1.00 32.31 H new ATOM 0 HA ALA A 117 -2.853 -7.013 7.102 1.00 23.32 H new ATOM 0 HB1 ALA A 117 -0.467 -6.497 6.611 1.00 14.44 H new ATOM 0 HB2 ALA A 117 -1.559 -5.296 5.881 1.00 14.44 H new ATOM 0 HB3 ALA A 117 -0.669 -4.900 7.371 1.00 14.44 H new ATOM 1792 N LEU A 118 -1.512 -6.061 9.939 1.00 44.53 N ATOM 1793 CA LEU A 118 -0.868 -6.534 11.161 1.00 73.42 C ATOM 1794 C LEU A 118 -1.871 -6.822 12.279 1.00 52.31 C ATOM 1795 O LEU A 118 -1.467 -7.014 13.427 1.00 52.32 O ATOM 1796 CB LEU A 118 0.144 -5.493 11.622 1.00 41.42 C ATOM 1797 CG LEU A 118 1.292 -5.256 10.655 1.00 30.22 C ATOM 1798 CD1 LEU A 118 1.571 -3.780 10.551 1.00 5.44 C ATOM 1799 CD2 LEU A 118 2.533 -6.002 11.103 1.00 70.43 C ATOM 0 H LEU A 118 -1.723 -5.063 9.935 1.00 44.53 H new ATOM 0 HA LEU A 118 -0.370 -7.477 10.935 1.00 73.42 H new ATOM 0 HB2 LEU A 118 -0.375 -4.549 11.788 1.00 41.42 H new ATOM 0 HB3 LEU A 118 0.554 -5.804 12.583 1.00 41.42 H new ATOM 0 HG LEU A 118 1.009 -5.634 9.673 1.00 30.22 H new ATOM 0 HD11 LEU A 118 2.395 -3.613 9.857 1.00 5.44 H new ATOM 0 HD12 LEU A 118 0.681 -3.266 10.188 1.00 5.44 H new ATOM 0 HD13 LEU A 118 1.840 -3.390 11.533 1.00 5.44 H new ATOM 0 HD21 LEU A 118 3.343 -5.819 10.397 1.00 70.43 H new ATOM 0 HD22 LEU A 118 2.829 -5.654 12.093 1.00 70.43 H new ATOM 0 HD23 LEU A 118 2.321 -7.070 11.142 1.00 70.43 H new ATOM 1811 N LYS A 119 -3.172 -6.882 11.940 1.00 21.51 N ATOM 1812 CA LYS A 119 -4.236 -7.129 12.933 1.00 20.12 C ATOM 1813 C LYS A 119 -4.145 -8.522 13.583 1.00 65.04 C ATOM 1814 O LYS A 119 -4.550 -8.698 14.734 1.00 2.31 O ATOM 1815 CB LYS A 119 -5.632 -6.942 12.312 1.00 73.24 C ATOM 1816 CG LYS A 119 -6.033 -8.011 11.291 1.00 5.11 C ATOM 1817 CD LYS A 119 -7.541 -8.194 11.205 1.00 25.23 C ATOM 1818 CE LYS A 119 -8.243 -6.977 10.617 1.00 44.25 C ATOM 1819 NZ LYS A 119 -7.963 -6.814 9.170 1.00 20.55 N ATOM 0 H LYS A 119 -3.513 -6.763 10.986 1.00 21.51 H new ATOM 0 HA LYS A 119 -4.083 -6.389 13.719 1.00 20.12 H new ATOM 0 HB2 LYS A 119 -6.371 -6.930 13.113 1.00 73.24 H new ATOM 0 HB3 LYS A 119 -5.671 -5.966 11.828 1.00 73.24 H new ATOM 0 HG2 LYS A 119 -5.647 -7.735 10.310 1.00 5.11 H new ATOM 0 HG3 LYS A 119 -5.569 -8.960 11.561 1.00 5.11 H new ATOM 0 HD2 LYS A 119 -7.763 -9.069 10.594 1.00 25.23 H new ATOM 0 HD3 LYS A 119 -7.937 -8.392 12.201 1.00 25.23 H new ATOM 0 HE2 LYS A 119 -9.318 -7.071 10.769 1.00 44.25 H new ATOM 0 HE3 LYS A 119 -7.923 -6.082 11.150 1.00 44.25 H new ATOM 0 HZ1 LYS A 119 -8.539 -6.036 8.790 1.00 20.55 H new ATOM 0 HZ2 LYS A 119 -6.955 -6.597 9.034 1.00 20.55 H new ATOM 0 HZ3 LYS A 119 -8.198 -7.695 8.670 1.00 20.55 H new ATOM 1833 N ASP A 120 -3.616 -9.498 12.845 1.00 72.32 N ATOM 1834 CA ASP A 120 -3.457 -10.856 13.356 1.00 64.22 C ATOM 1835 C ASP A 120 -2.028 -11.121 13.778 1.00 22.44 C ATOM 1836 O ASP A 120 -1.787 -11.936 14.671 1.00 72.21 O ATOM 1837 CB ASP A 120 -3.866 -11.885 12.300 1.00 41.14 C ATOM 1838 CG ASP A 120 -5.355 -11.946 12.077 1.00 5.45 C ATOM 1839 OD1 ASP A 120 -6.062 -12.511 12.932 1.00 61.42 O ATOM 1840 OD2 ASP A 120 -5.820 -11.433 11.043 1.00 74.24 O ATOM 0 H ASP A 120 -3.290 -9.371 11.887 1.00 72.32 H new ATOM 0 HA ASP A 120 -4.106 -10.951 14.226 1.00 64.22 H new ATOM 0 HB2 ASP A 120 -3.373 -11.645 11.358 1.00 41.14 H new ATOM 0 HB3 ASP A 120 -3.510 -12.869 12.604 1.00 41.14 H new ATOM 1845 N ALA A 121 -1.096 -10.417 13.103 1.00 13.15 N ATOM 1846 CA ALA A 121 0.364 -10.593 13.232 1.00 62.44 C ATOM 1847 C ALA A 121 0.869 -11.990 12.829 1.00 14.33 C ATOM 1848 O ALA A 121 2.042 -12.303 13.042 1.00 11.22 O ATOM 1849 CB ALA A 121 0.857 -10.214 14.622 1.00 40.24 C ATOM 0 H ALA A 121 -1.347 -9.689 12.434 1.00 13.15 H new ATOM 0 HA ALA A 121 0.796 -9.901 12.509 1.00 62.44 H new ATOM 0 HB1 ALA A 121 1.936 -10.357 14.677 1.00 40.24 H new ATOM 0 HB2 ALA A 121 0.619 -9.169 14.820 1.00 40.24 H new ATOM 0 HB3 ALA A 121 0.369 -10.844 15.366 1.00 40.24 H new ATOM 1855 N GLU A 122 -0.018 -12.809 12.248 1.00 12.52 N ATOM 1856 CA GLU A 122 0.327 -14.070 11.595 1.00 54.24 C ATOM 1857 C GLU A 122 -0.642 -14.281 10.429 1.00 30.31 C ATOM 1858 O GLU A 122 -1.693 -14.904 10.587 1.00 62.45 O ATOM 1859 CB GLU A 122 0.242 -15.284 12.549 1.00 61.22 C ATOM 1860 CG GLU A 122 1.333 -15.359 13.606 1.00 32.44 C ATOM 1861 CD GLU A 122 1.282 -16.631 14.422 1.00 12.02 C ATOM 1862 OE1 GLU A 122 1.622 -17.703 13.884 1.00 2.44 O ATOM 1863 OE2 GLU A 122 0.913 -16.566 15.611 1.00 61.52 O ATOM 0 H GLU A 122 -1.017 -12.605 12.221 1.00 12.52 H new ATOM 0 HA GLU A 122 1.361 -14.003 11.257 1.00 54.24 H new ATOM 0 HB2 GLU A 122 -0.726 -15.264 13.050 1.00 61.22 H new ATOM 0 HB3 GLU A 122 0.273 -16.196 11.953 1.00 61.22 H new ATOM 0 HG2 GLU A 122 2.306 -15.284 13.121 1.00 32.44 H new ATOM 0 HG3 GLU A 122 1.243 -14.502 14.274 1.00 32.44 H new ATOM 1870 N LYS A 123 -0.334 -13.680 9.287 1.00 14.20 N ATOM 1871 CA LYS A 123 -1.194 -13.784 8.110 1.00 23.14 C ATOM 1872 C LYS A 123 -0.430 -14.469 6.972 1.00 10.43 C ATOM 1873 O LYS A 123 0.508 -15.223 7.241 1.00 51.31 O ATOM 1874 CB LYS A 123 -1.722 -12.396 7.696 1.00 3.31 C ATOM 1875 CG LYS A 123 -2.578 -11.723 8.769 1.00 13.42 C ATOM 1876 CD LYS A 123 -3.527 -10.669 8.201 1.00 23.14 C ATOM 1877 CE LYS A 123 -4.673 -11.283 7.398 1.00 2.31 C ATOM 1878 NZ LYS A 123 -5.510 -12.189 8.228 1.00 15.42 N ATOM 0 H LYS A 123 0.504 -13.115 9.148 1.00 14.20 H new ATOM 0 HA LYS A 123 -2.063 -14.396 8.350 1.00 23.14 H new ATOM 0 HB2 LYS A 123 -0.876 -11.750 7.460 1.00 3.31 H new ATOM 0 HB3 LYS A 123 -2.310 -12.497 6.784 1.00 3.31 H new ATOM 0 HG2 LYS A 123 -3.159 -12.483 9.292 1.00 13.42 H new ATOM 0 HG3 LYS A 123 -1.925 -11.256 9.507 1.00 13.42 H new ATOM 0 HD2 LYS A 123 -3.938 -10.077 9.019 1.00 23.14 H new ATOM 0 HD3 LYS A 123 -2.966 -9.986 7.563 1.00 23.14 H new ATOM 0 HE2 LYS A 123 -5.296 -10.488 6.988 1.00 2.31 H new ATOM 0 HE3 LYS A 123 -4.267 -11.838 6.552 1.00 2.31 H new ATOM 0 HZ1 LYS A 123 -6.470 -12.235 7.831 1.00 15.42 H new ATOM 0 HZ2 LYS A 123 -5.091 -13.141 8.233 1.00 15.42 H new ATOM 0 HZ3 LYS A 123 -5.555 -11.826 9.201 1.00 15.42 H new ATOM 1892 N LEU A 124 -0.849 -14.245 5.720 1.00 74.42 N ATOM 1893 CA LEU A 124 -0.188 -14.852 4.559 1.00 64.31 C ATOM 1894 C LEU A 124 1.161 -14.197 4.285 1.00 3.12 C ATOM 1895 O LEU A 124 1.235 -13.056 3.811 1.00 44.23 O ATOM 1896 CB LEU A 124 -1.070 -14.769 3.309 1.00 74.54 C ATOM 1897 CG LEU A 124 -2.354 -15.602 3.345 1.00 34.14 C ATOM 1898 CD1 LEU A 124 -3.141 -15.391 2.069 1.00 61.34 C ATOM 1899 CD2 LEU A 124 -2.043 -17.082 3.533 1.00 4.11 C ATOM 0 H LEU A 124 -1.642 -13.648 5.486 1.00 74.42 H new ATOM 0 HA LEU A 124 -0.023 -15.902 4.798 1.00 64.31 H new ATOM 0 HB2 LEU A 124 -1.340 -13.726 3.146 1.00 74.54 H new ATOM 0 HB3 LEU A 124 -0.479 -15.083 2.449 1.00 74.54 H new ATOM 0 HG LEU A 124 -2.952 -15.273 4.195 1.00 34.14 H new ATOM 0 HD11 LEU A 124 -4.053 -15.987 2.101 1.00 61.34 H new ATOM 0 HD12 LEU A 124 -3.399 -14.337 1.971 1.00 61.34 H new ATOM 0 HD13 LEU A 124 -2.538 -15.698 1.215 1.00 61.34 H new ATOM 0 HD21 LEU A 124 -2.973 -17.649 3.555 1.00 4.11 H new ATOM 0 HD22 LEU A 124 -1.424 -17.432 2.707 1.00 4.11 H new ATOM 0 HD23 LEU A 124 -1.509 -17.225 4.472 1.00 4.11 H new ATOM 1911 N GLU A 125 2.216 -14.948 4.594 1.00 13.33 N ATOM 1912 CA GLU A 125 3.591 -14.464 4.537 1.00 3.53 C ATOM 1913 C GLU A 125 4.214 -14.744 3.175 1.00 0.00 C ATOM 1914 O GLU A 125 3.668 -15.537 2.404 1.00 43.44 O ATOM 1915 CB GLU A 125 4.407 -15.135 5.654 1.00 63.44 C ATOM 1916 CG GLU A 125 3.866 -14.836 7.046 1.00 21.41 C ATOM 1917 CD GLU A 125 4.593 -15.559 8.156 1.00 61.50 C ATOM 1918 OE1 GLU A 125 5.827 -15.723 8.070 1.00 32.04 O ATOM 1919 OE2 GLU A 125 3.931 -15.944 9.141 1.00 42.25 O ATOM 0 H GLU A 125 2.138 -15.920 4.894 1.00 13.33 H new ATOM 0 HA GLU A 125 3.594 -13.384 4.683 1.00 3.53 H new ATOM 0 HB2 GLU A 125 4.412 -16.213 5.496 1.00 63.44 H new ATOM 0 HB3 GLU A 125 5.442 -14.799 5.592 1.00 63.44 H new ATOM 0 HG2 GLU A 125 3.926 -13.763 7.225 1.00 21.41 H new ATOM 0 HG3 GLU A 125 2.811 -15.106 7.080 1.00 21.41 H new ATOM 1926 N HIS A 126 5.335 -14.063 2.875 1.00 74.32 N ATOM 1927 CA HIS A 126 6.107 -14.320 1.654 1.00 34.10 C ATOM 1928 C HIS A 126 6.686 -15.723 1.714 1.00 64.01 C ATOM 1929 O HIS A 126 7.554 -16.004 2.531 1.00 73.43 O ATOM 1930 CB HIS A 126 7.236 -13.285 1.452 1.00 32.12 C ATOM 1931 CG HIS A 126 6.804 -11.982 0.834 1.00 75.21 C ATOM 1932 ND1 HIS A 126 7.441 -10.779 1.072 1.00 75.33 N ATOM 1933 CD2 HIS A 126 5.819 -11.707 -0.048 1.00 24.22 C ATOM 1934 CE1 HIS A 126 6.864 -9.826 0.363 1.00 23.35 C ATOM 1935 NE2 HIS A 126 5.877 -10.363 -0.325 1.00 4.04 N ATOM 0 H HIS A 126 5.724 -13.329 3.466 1.00 74.32 H new ATOM 0 HA HIS A 126 5.433 -14.230 0.802 1.00 34.10 H new ATOM 0 HB2 HIS A 126 7.694 -13.077 2.419 1.00 32.12 H new ATOM 0 HB3 HIS A 126 8.007 -13.730 0.823 1.00 32.12 H new ATOM 0 HD1 HIS A 126 8.235 -10.647 1.699 1.00 75.33 H new ATOM 0 HD2 HIS A 126 5.115 -12.414 -0.460 1.00 24.22 H new ATOM 0 HE1 HIS A 126 7.152 -8.785 0.349 1.00 23.35 H new ATOM 1944 N HIS A 127 6.179 -16.587 0.841 1.00 63.13 N ATOM 1945 CA HIS A 127 6.430 -18.030 0.915 1.00 13.02 C ATOM 1946 C HIS A 127 7.876 -18.399 0.546 1.00 12.44 C ATOM 1947 O HIS A 127 8.442 -19.329 1.112 1.00 22.12 O ATOM 1948 CB HIS A 127 5.404 -18.812 0.045 1.00 51.31 C ATOM 1949 CG HIS A 127 5.503 -18.620 -1.453 1.00 31.50 C ATOM 1950 ND1 HIS A 127 5.958 -19.606 -2.302 1.00 2.31 N ATOM 1951 CD2 HIS A 127 5.234 -17.549 -2.239 1.00 61.22 C ATOM 1952 CE1 HIS A 127 5.965 -19.153 -3.538 1.00 32.13 C ATOM 1953 NE2 HIS A 127 5.533 -17.909 -3.526 1.00 72.11 N ATOM 0 H HIS A 127 5.582 -16.311 0.061 1.00 63.13 H new ATOM 0 HA HIS A 127 6.295 -18.326 1.955 1.00 13.02 H new ATOM 0 HB2 HIS A 127 5.514 -19.875 0.261 1.00 51.31 H new ATOM 0 HB3 HIS A 127 4.401 -18.525 0.360 1.00 51.31 H new ATOM 0 HD2 HIS A 127 4.855 -16.592 -1.912 1.00 61.22 H new ATOM 0 HE1 HIS A 127 6.273 -19.707 -4.413 1.00 32.13 H new ATOM 0 HE2 HIS A 127 5.436 -17.309 -4.345 1.00 72.11 H new ATOM 1962 N HIS A 128 8.471 -17.640 -0.364 1.00 52.11 N ATOM 1963 CA HIS A 128 9.791 -17.960 -0.889 1.00 63.21 C ATOM 1964 C HIS A 128 10.855 -17.023 -0.305 1.00 53.31 C ATOM 1965 O HIS A 128 12.012 -17.406 -0.150 1.00 11.21 O ATOM 1966 CB HIS A 128 9.751 -17.869 -2.424 1.00 1.31 C ATOM 1967 CG HIS A 128 10.952 -18.427 -3.128 1.00 73.51 C ATOM 1968 ND1 HIS A 128 11.795 -17.658 -3.896 1.00 4.24 N ATOM 1969 CD2 HIS A 128 11.437 -19.690 -3.191 1.00 33.14 C ATOM 1970 CE1 HIS A 128 12.743 -18.418 -4.404 1.00 43.03 C ATOM 1971 NE2 HIS A 128 12.551 -19.656 -3.995 1.00 32.32 N ATOM 0 H HIS A 128 8.058 -16.794 -0.756 1.00 52.11 H new ATOM 0 HA HIS A 128 10.063 -18.974 -0.597 1.00 63.21 H new ATOM 0 HB2 HIS A 128 8.865 -18.394 -2.780 1.00 1.31 H new ATOM 0 HB3 HIS A 128 9.637 -16.823 -2.707 1.00 1.31 H new ATOM 0 HD2 HIS A 128 11.026 -20.560 -2.701 1.00 33.14 H new ATOM 0 HE1 HIS A 128 13.543 -18.083 -5.047 1.00 43.03 H new ATOM 0 HE2 HIS A 128 13.134 -20.458 -4.236 1.00 32.32 H new ATOM 1980 N HIS A 129 10.443 -15.801 0.033 1.00 74.33 N ATOM 1981 CA HIS A 129 11.362 -14.780 0.530 1.00 53.15 C ATOM 1982 C HIS A 129 11.528 -14.876 2.055 1.00 73.25 C ATOM 1983 O HIS A 129 12.472 -14.325 2.617 1.00 11.43 O ATOM 1984 CB HIS A 129 10.850 -13.387 0.123 1.00 3.12 C ATOM 1985 CG HIS A 129 11.857 -12.280 0.276 1.00 35.11 C ATOM 1986 ND1 HIS A 129 11.731 -11.265 1.200 1.00 34.42 N ATOM 1987 CD2 HIS A 129 13.009 -12.036 -0.389 1.00 34.32 C ATOM 1988 CE1 HIS A 129 12.760 -10.450 1.094 1.00 43.23 C ATOM 1989 NE2 HIS A 129 13.552 -10.894 0.139 1.00 74.33 N ATOM 0 H HIS A 129 9.472 -15.494 -0.029 1.00 74.33 H new ATOM 0 HA HIS A 129 12.343 -14.945 0.085 1.00 53.15 H new ATOM 0 HB2 HIS A 129 10.525 -13.423 -0.917 1.00 3.12 H new ATOM 0 HB3 HIS A 129 9.972 -13.147 0.723 1.00 3.12 H new ATOM 0 HD1 HIS A 129 10.962 -11.161 1.862 1.00 34.42 H new ATOM 0 HD2 HIS A 129 13.424 -12.631 -1.189 1.00 34.32 H new ATOM 0 HE1 HIS A 129 12.927 -9.565 1.690 1.00 43.23 H new ATOM 1998 N HIS A 130 10.618 -15.576 2.714 1.00 65.31 N ATOM 1999 CA HIS A 130 10.666 -15.704 4.157 1.00 74.34 C ATOM 2000 C HIS A 130 10.426 -17.167 4.540 1.00 11.14 C ATOM 2001 O HIS A 130 9.569 -17.833 3.956 1.00 53.43 O ATOM 2002 CB HIS A 130 9.619 -14.776 4.793 1.00 51.15 C ATOM 2003 CG HIS A 130 9.916 -14.413 6.210 1.00 54.54 C ATOM 2004 ND1 HIS A 130 10.670 -13.314 6.549 1.00 53.54 N ATOM 2005 CD2 HIS A 130 9.581 -15.013 7.369 1.00 12.23 C ATOM 2006 CE1 HIS A 130 10.786 -13.254 7.854 1.00 35.32 C ATOM 2007 NE2 HIS A 130 10.138 -14.275 8.376 1.00 64.10 N ATOM 0 H HIS A 130 9.839 -16.063 2.271 1.00 65.31 H new ATOM 0 HA HIS A 130 11.646 -15.408 4.530 1.00 74.34 H new ATOM 0 HB2 HIS A 130 9.549 -13.863 4.201 1.00 51.15 H new ATOM 0 HB3 HIS A 130 8.643 -15.260 4.749 1.00 51.15 H new ATOM 0 HD2 HIS A 130 8.986 -15.907 7.481 1.00 12.23 H new ATOM 0 HE1 HIS A 130 11.322 -12.496 8.407 1.00 35.32 H new ATOM 0 HE2 HIS A 130 10.064 -14.482 9.372 1.00 64.10 H new ATOM 2016 N HIS A 131 11.205 -17.665 5.500 1.00 70.44 N ATOM 2017 CA HIS A 131 11.071 -19.045 5.965 1.00 41.33 C ATOM 2018 C HIS A 131 10.416 -19.066 7.348 1.00 24.40 C ATOM 2019 O HIS A 131 10.771 -18.277 8.226 1.00 35.31 O ATOM 2020 CB HIS A 131 12.453 -19.728 6.000 1.00 13.11 C ATOM 2021 CG HIS A 131 12.425 -21.234 6.100 1.00 2.10 C ATOM 2022 ND1 HIS A 131 12.719 -22.059 5.035 1.00 34.21 N ATOM 2023 CD2 HIS A 131 12.178 -22.058 7.148 1.00 61.24 C ATOM 2024 CE1 HIS A 131 12.655 -23.317 5.423 1.00 51.43 C ATOM 2025 NE2 HIS A 131 12.327 -23.344 6.697 1.00 53.24 N ATOM 0 H HIS A 131 11.936 -17.132 5.971 1.00 70.44 H new ATOM 0 HA HIS A 131 10.435 -19.598 5.274 1.00 41.33 H new ATOM 0 HB2 HIS A 131 13.000 -19.450 5.099 1.00 13.11 H new ATOM 0 HB3 HIS A 131 13.013 -19.334 6.848 1.00 13.11 H new ATOM 0 HD2 HIS A 131 11.913 -21.757 8.151 1.00 61.24 H new ATOM 0 HE1 HIS A 131 12.840 -24.180 4.800 1.00 51.43 H new ATOM 0 HE2 HIS A 131 12.203 -24.186 7.259 1.00 53.24 H new TER 2034 HIS A 131