USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 40 LYS NZ :NH3+ -160:sc= -0.0108 (180deg=0) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 23 MET CE :methyl -164:sc= -0.0297 (180deg=-0.102) USER MOD Single : A 26 TYR OH : rot -162:sc= 0.374 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -0.0495 (180deg=-0.401) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.39 (180deg=-1.73) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= -1.92! (180deg=-5.01!) USER MOD Single : A 79 ASN : amide:sc= -2.29! C(o=-2.3!,f=-3.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0662 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.000114 USER MOD Single : A 96 TYR OH : rot -165:sc= -1.9 USER MOD Single : A 97 ASN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -97:sc= 1.12 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.534 9.139 -4.915 1.00 0.00 N ATOM 2 CA MET A 23 6.010 7.793 -4.765 1.00 0.00 C ATOM 3 C MET A 23 6.390 7.203 -3.405 1.00 0.00 C ATOM 4 O MET A 23 7.420 7.561 -2.837 1.00 0.00 O ATOM 5 CB MET A 23 6.562 6.902 -5.880 1.00 0.00 C ATOM 6 CG MET A 23 5.429 6.294 -6.708 1.00 0.00 C ATOM 7 SD MET A 23 5.588 6.787 -8.415 1.00 0.00 S ATOM 8 CE MET A 23 5.725 5.184 -9.191 1.00 0.00 C ATOM 0 HA MET A 23 4.923 7.839 -4.829 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.217 7.486 -6.527 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.169 6.106 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.454 5.207 -6.631 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.466 6.619 -6.315 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.111 5.302 -10.204 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.405 4.558 -8.614 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.743 4.713 -9.229 1.00 0.00 H new ATOM 18 N ARG A 24 5.538 6.311 -2.923 1.00 0.00 N ATOM 19 CA ARG A 24 5.773 5.669 -1.641 1.00 0.00 C ATOM 20 C ARG A 24 6.207 4.217 -1.845 1.00 0.00 C ATOM 21 O ARG A 24 5.585 3.481 -2.607 1.00 0.00 O ATOM 22 CB ARG A 24 4.513 5.700 -0.772 1.00 0.00 C ATOM 23 CG ARG A 24 4.491 6.944 0.119 1.00 0.00 C ATOM 24 CD ARG A 24 3.265 7.809 -0.180 1.00 0.00 C ATOM 25 NE ARG A 24 2.741 8.395 1.075 1.00 0.00 N ATOM 26 CZ ARG A 24 3.252 9.483 1.666 1.00 0.00 C ATOM 27 NH1 ARG A 24 4.302 10.110 1.123 1.00 0.00 N ATOM 28 NH2 ARG A 24 2.712 9.943 2.804 1.00 0.00 N ATOM 0 H ARG A 24 4.684 6.017 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 24 6.565 6.220 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.628 5.688 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.472 4.804 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.483 6.645 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.399 7.526 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.531 8.603 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.493 7.207 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 24 1.941 7.942 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.714 9.760 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.690 10.938 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.913 9.464 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.101 10.771 3.255 1.00 0.00 H new ATOM 42 N GLU A 25 7.275 3.850 -1.150 1.00 0.00 N ATOM 43 CA GLU A 25 7.801 2.499 -1.245 1.00 0.00 C ATOM 44 C GLU A 25 7.716 1.798 0.112 1.00 0.00 C ATOM 45 O GLU A 25 8.291 2.269 1.093 1.00 0.00 O ATOM 46 CB GLU A 25 9.239 2.506 -1.771 1.00 0.00 C ATOM 47 CG GLU A 25 9.312 3.141 -3.161 1.00 0.00 C ATOM 48 CD GLU A 25 9.474 4.659 -3.061 1.00 0.00 C ATOM 49 OE1 GLU A 25 10.581 5.087 -2.672 1.00 0.00 O ATOM 50 OE2 GLU A 25 8.487 5.359 -3.378 1.00 0.00 O ATOM 0 H GLU A 25 7.789 4.465 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 25 7.191 1.942 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.879 3.057 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.619 1.485 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.150 2.718 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.407 2.904 -3.721 1.00 0.00 H new ATOM 57 N TYR A 26 6.997 0.686 0.124 1.00 0.00 N ATOM 58 CA TYR A 26 6.830 -0.083 1.347 1.00 0.00 C ATOM 59 C TYR A 26 7.493 -1.457 1.223 1.00 0.00 C ATOM 60 O TYR A 26 7.586 -2.010 0.129 1.00 0.00 O ATOM 61 CB TYR A 26 5.322 -0.272 1.522 1.00 0.00 C ATOM 62 CG TYR A 26 4.534 1.036 1.597 1.00 0.00 C ATOM 63 CD1 TYR A 26 4.757 1.917 2.638 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.603 1.338 0.626 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.017 3.149 2.709 1.00 0.00 C ATOM 66 CE2 TYR A 26 2.861 2.572 0.698 1.00 0.00 C ATOM 67 CZ TYR A 26 3.105 3.416 1.735 1.00 0.00 C ATOM 68 OH TYR A 26 2.406 4.580 1.804 1.00 0.00 O ATOM 0 H TYR A 26 6.523 0.299 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 26 7.288 0.432 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.942 -0.865 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.142 -0.845 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.487 1.681 3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.430 0.650 -0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.182 3.846 3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.128 2.820 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 26 1.610 4.518 1.236 1.00 0.00 H new ATOM 78 N PRO A 27 7.950 -1.980 2.392 1.00 0.00 N ATOM 79 CA PRO A 27 8.603 -3.278 2.427 1.00 0.00 C ATOM 80 C PRO A 27 7.582 -4.409 2.279 1.00 0.00 C ATOM 81 O PRO A 27 6.378 -4.163 2.255 1.00 0.00 O ATOM 82 CB PRO A 27 9.340 -3.313 3.756 1.00 0.00 C ATOM 83 CG PRO A 27 8.699 -2.235 4.616 1.00 0.00 C ATOM 84 CD PRO A 27 7.859 -1.353 3.707 1.00 0.00 C ATOM 0 HA PRO A 27 9.297 -3.422 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.251 -4.292 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.404 -3.121 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.079 -2.684 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.464 -1.645 5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.826 -1.302 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.239 -0.332 3.685 1.00 0.00 H new ATOM 92 N VAL A 28 8.102 -5.623 2.183 1.00 0.00 N ATOM 93 CA VAL A 28 7.252 -6.792 2.036 1.00 0.00 C ATOM 94 C VAL A 28 7.599 -7.807 3.128 1.00 0.00 C ATOM 95 O VAL A 28 8.772 -8.080 3.378 1.00 0.00 O ATOM 96 CB VAL A 28 7.386 -7.364 0.624 1.00 0.00 C ATOM 97 CG1 VAL A 28 7.008 -8.846 0.595 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.544 -6.565 -0.372 1.00 0.00 C ATOM 0 H VAL A 28 9.102 -5.823 2.204 1.00 0.00 H new ATOM 0 HA VAL A 28 6.204 -6.521 2.163 1.00 0.00 H new ATOM 0 HB VAL A 28 8.431 -7.279 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.112 -9.228 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.667 -9.403 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.975 -8.965 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.657 -6.992 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.496 -6.605 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.879 -5.528 -0.382 1.00 0.00 H new ATOM 108 N LYS A 29 6.555 -8.340 3.748 1.00 0.00 N ATOM 109 CA LYS A 29 6.734 -9.319 4.807 1.00 0.00 C ATOM 110 C LYS A 29 6.981 -10.696 4.185 1.00 0.00 C ATOM 111 O LYS A 29 6.430 -11.013 3.132 1.00 0.00 O ATOM 112 CB LYS A 29 5.549 -9.285 5.773 1.00 0.00 C ATOM 113 CG LYS A 29 5.766 -10.249 6.942 1.00 0.00 C ATOM 114 CD LYS A 29 6.276 -9.507 8.179 1.00 0.00 C ATOM 115 CE LYS A 29 7.779 -9.243 8.080 1.00 0.00 C ATOM 116 NZ LYS A 29 8.299 -8.722 9.365 1.00 0.00 N ATOM 0 H LYS A 29 5.583 -8.112 3.537 1.00 0.00 H new ATOM 0 HA LYS A 29 7.612 -9.077 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.414 -8.272 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.635 -9.551 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.830 -10.756 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.482 -11.019 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.744 -8.562 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.065 -10.094 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.300 -10.164 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.977 -8.526 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.321 -8.548 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.814 -7.832 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.127 -9.419 10.117 1.00 0.00 H new ATOM 130 N LYS A 30 7.809 -11.475 4.864 1.00 0.00 N ATOM 131 CA LYS A 30 8.136 -12.811 4.392 1.00 0.00 C ATOM 132 C LYS A 30 6.907 -13.711 4.533 1.00 0.00 C ATOM 133 O LYS A 30 6.568 -14.138 5.637 1.00 0.00 O ATOM 134 CB LYS A 30 9.376 -13.346 5.113 1.00 0.00 C ATOM 135 CG LYS A 30 10.250 -14.167 4.163 1.00 0.00 C ATOM 136 CD LYS A 30 10.011 -15.665 4.356 1.00 0.00 C ATOM 137 CE LYS A 30 10.958 -16.239 5.415 1.00 0.00 C ATOM 138 NZ LYS A 30 12.348 -16.258 4.910 1.00 0.00 N ATOM 0 H LYS A 30 8.264 -11.208 5.737 1.00 0.00 H new ATOM 0 HA LYS A 30 8.396 -12.788 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.953 -12.514 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.072 -13.963 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.032 -13.890 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.301 -13.937 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.977 -15.836 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.159 -16.186 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.903 -15.640 6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.647 -17.250 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.893 -16.983 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.345 -16.478 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.785 -15.326 5.061 1.00 0.00 H new ATOM 152 N GLY A 31 6.274 -13.975 3.400 1.00 0.00 N ATOM 153 CA GLY A 31 5.090 -14.819 3.382 1.00 0.00 C ATOM 154 C GLY A 31 3.892 -14.068 2.796 1.00 0.00 C ATOM 155 O GLY A 31 3.164 -14.608 1.965 1.00 0.00 O ATOM 0 H GLY A 31 6.558 -13.620 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.286 -15.715 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.858 -15.148 4.395 1.00 0.00 H new ATOM 159 N PHE A 32 3.724 -12.836 3.253 1.00 0.00 N ATOM 160 CA PHE A 32 2.627 -12.007 2.784 1.00 0.00 C ATOM 161 C PHE A 32 2.451 -12.135 1.270 1.00 0.00 C ATOM 162 O PHE A 32 3.374 -12.542 0.567 1.00 0.00 O ATOM 163 CB PHE A 32 2.984 -10.558 3.122 1.00 0.00 C ATOM 164 CG PHE A 32 2.430 -10.078 4.466 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.658 -10.803 5.595 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.711 -8.927 4.532 1.00 0.00 C ATOM 167 CE1 PHE A 32 2.145 -10.359 6.840 1.00 0.00 C ATOM 168 CE2 PHE A 32 1.198 -8.481 5.779 1.00 0.00 C ATOM 169 CZ PHE A 32 1.425 -9.207 6.906 1.00 0.00 C ATOM 0 H PHE A 32 4.329 -12.392 3.943 1.00 0.00 H new ATOM 0 HA PHE A 32 1.697 -12.319 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.069 -10.454 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.607 -9.908 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.230 -11.717 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.530 -8.351 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.326 -10.935 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.628 -7.565 5.832 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.033 -8.869 7.854 1.00 0.00 H new ATOM 179 N PRO A 33 1.227 -11.772 0.800 1.00 0.00 N ATOM 180 CA PRO A 33 0.918 -11.843 -0.617 1.00 0.00 C ATOM 181 C PRO A 33 1.589 -10.701 -1.383 1.00 0.00 C ATOM 182 O PRO A 33 1.641 -9.571 -0.898 1.00 0.00 O ATOM 183 CB PRO A 33 -0.599 -11.798 -0.692 1.00 0.00 C ATOM 184 CG PRO A 33 -1.066 -11.237 0.642 1.00 0.00 C ATOM 185 CD PRO A 33 0.109 -11.286 1.605 1.00 0.00 C ATOM 0 HA PRO A 33 1.300 -12.750 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.931 -11.169 -1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.011 -12.792 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.419 -10.213 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.902 -11.820 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.320 -10.302 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.094 -11.952 2.444 1.00 0.00 H new ATOM 193 N THR A 34 2.086 -11.035 -2.564 1.00 0.00 N ATOM 194 CA THR A 34 2.751 -10.050 -3.401 1.00 0.00 C ATOM 195 C THR A 34 2.380 -10.262 -4.870 1.00 0.00 C ATOM 196 O THR A 34 3.187 -10.000 -5.762 1.00 0.00 O ATOM 197 CB THR A 34 4.255 -10.142 -3.134 1.00 0.00 C ATOM 198 OG1 THR A 34 4.619 -11.423 -3.642 1.00 0.00 O ATOM 199 CG2 THR A 34 4.581 -10.227 -1.642 1.00 0.00 C ATOM 0 H THR A 34 2.042 -11.973 -2.962 1.00 0.00 H new ATOM 0 HA THR A 34 2.425 -9.039 -3.159 1.00 0.00 H new ATOM 0 HB THR A 34 4.754 -9.274 -3.565 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.580 -11.566 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.661 -10.290 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.204 -9.338 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.110 -11.113 -1.217 1.00 0.00 H new ATOM 207 N ASP A 35 1.159 -10.734 -5.077 1.00 0.00 N ATOM 208 CA ASP A 35 0.673 -10.983 -6.424 1.00 0.00 C ATOM 209 C ASP A 35 -0.563 -10.118 -6.682 1.00 0.00 C ATOM 210 O ASP A 35 -1.341 -9.853 -5.768 1.00 0.00 O ATOM 211 CB ASP A 35 0.270 -12.448 -6.601 1.00 0.00 C ATOM 212 CG ASP A 35 0.811 -13.119 -7.865 1.00 0.00 C ATOM 213 OD1 ASP A 35 0.513 -12.593 -8.959 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.511 -14.142 -7.709 1.00 0.00 O ATOM 0 H ASP A 35 0.493 -10.950 -4.336 1.00 0.00 H new ATOM 0 HA ASP A 35 1.474 -10.742 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.614 -13.011 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.818 -12.511 -6.611 1.00 0.00 H new ATOM 219 N TYR A 36 -0.704 -9.704 -7.933 1.00 0.00 N ATOM 220 CA TYR A 36 -1.831 -8.874 -8.323 1.00 0.00 C ATOM 221 C TYR A 36 -3.153 -9.494 -7.863 1.00 0.00 C ATOM 222 O TYR A 36 -3.960 -8.831 -7.213 1.00 0.00 O ATOM 223 CB TYR A 36 -1.810 -8.826 -9.853 1.00 0.00 C ATOM 224 CG TYR A 36 -0.936 -7.710 -10.428 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.410 -7.659 -10.120 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.492 -6.754 -11.253 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.233 -6.610 -10.661 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.668 -5.704 -11.794 1.00 0.00 C ATOM 229 CZ TYR A 36 0.653 -5.683 -11.471 1.00 0.00 C ATOM 230 OH TYR A 36 1.430 -4.691 -11.982 1.00 0.00 O ATOM 0 H TYR A 36 -0.057 -9.928 -8.689 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.753 -7.885 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.454 -9.784 -10.232 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.830 -8.699 -10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.844 -8.407 -9.473 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.544 -6.793 -11.493 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.287 -6.560 -10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.090 -4.950 -12.442 1.00 0.00 H new ATOM 0 HH TYR A 36 0.883 -4.103 -12.543 1.00 0.00 H new ATOM 240 N ASP A 37 -3.332 -10.758 -8.219 1.00 0.00 N ATOM 241 CA ASP A 37 -4.542 -11.474 -7.851 1.00 0.00 C ATOM 242 C ASP A 37 -4.653 -11.529 -6.326 1.00 0.00 C ATOM 243 O ASP A 37 -5.694 -11.192 -5.763 1.00 0.00 O ATOM 244 CB ASP A 37 -4.512 -12.911 -8.375 1.00 0.00 C ATOM 245 CG ASP A 37 -5.500 -13.207 -9.506 1.00 0.00 C ATOM 246 OD1 ASP A 37 -5.758 -12.272 -10.293 1.00 0.00 O ATOM 247 OD2 ASP A 37 -5.973 -14.363 -9.557 1.00 0.00 O ATOM 0 H ASP A 37 -2.660 -11.304 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.391 -10.948 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.504 -13.133 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.718 -13.589 -7.546 1.00 0.00 H new ATOM 252 N SER A 38 -3.565 -11.955 -5.700 1.00 0.00 N ATOM 253 CA SER A 38 -3.528 -12.060 -4.252 1.00 0.00 C ATOM 254 C SER A 38 -4.017 -10.754 -3.621 1.00 0.00 C ATOM 255 O SER A 38 -4.917 -10.765 -2.781 1.00 0.00 O ATOM 256 CB SER A 38 -2.117 -12.390 -3.760 1.00 0.00 C ATOM 257 OG SER A 38 -1.706 -13.695 -4.158 1.00 0.00 O ATOM 0 H SER A 38 -2.703 -12.231 -6.170 1.00 0.00 H new ATOM 0 HA SER A 38 -4.189 -12.873 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.415 -11.654 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.085 -12.315 -2.673 1.00 0.00 H new ATOM 0 HG SER A 38 -0.800 -13.868 -3.827 1.00 0.00 H new ATOM 263 N ILE A 39 -3.404 -9.660 -4.050 1.00 0.00 N ATOM 264 CA ILE A 39 -3.766 -8.350 -3.537 1.00 0.00 C ATOM 265 C ILE A 39 -5.205 -8.028 -3.946 1.00 0.00 C ATOM 266 O ILE A 39 -5.972 -7.482 -3.152 1.00 0.00 O ATOM 267 CB ILE A 39 -2.750 -7.299 -3.987 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.363 -7.596 -3.414 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.225 -5.889 -3.633 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.306 -6.676 -4.026 1.00 0.00 C ATOM 0 H ILE A 39 -2.659 -9.654 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.734 -8.345 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.668 -7.348 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.378 -7.468 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.101 -8.636 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.484 -5.162 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.175 -5.690 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.355 -5.809 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.670 -6.909 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.276 -6.824 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.558 -5.638 -3.809 1.00 0.00 H new ATOM 282 N LYS A 40 -5.529 -8.378 -5.182 1.00 0.00 N ATOM 283 CA LYS A 40 -6.863 -8.133 -5.704 1.00 0.00 C ATOM 284 C LYS A 40 -7.899 -8.696 -4.730 1.00 0.00 C ATOM 285 O LYS A 40 -8.934 -8.075 -4.490 1.00 0.00 O ATOM 286 CB LYS A 40 -6.991 -8.684 -7.126 1.00 0.00 C ATOM 287 CG LYS A 40 -6.659 -7.610 -8.162 1.00 0.00 C ATOM 288 CD LYS A 40 -6.493 -8.223 -9.554 1.00 0.00 C ATOM 289 CE LYS A 40 -7.789 -8.110 -10.361 1.00 0.00 C ATOM 290 NZ LYS A 40 -7.680 -7.029 -11.367 1.00 0.00 N ATOM 0 H LYS A 40 -4.891 -8.829 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.050 -7.062 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.321 -9.535 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.005 -9.050 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.452 -6.862 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.742 -7.095 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.685 -7.718 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.208 -9.271 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.999 -9.057 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.625 -7.909 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.632 -6.734 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.180 -6.217 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.151 -7.375 -12.193 1.00 0.00 H new ATOM 304 N ARG A 41 -7.587 -9.868 -4.194 1.00 0.00 N ATOM 305 CA ARG A 41 -8.478 -10.522 -3.252 1.00 0.00 C ATOM 306 C ARG A 41 -8.409 -9.830 -1.889 1.00 0.00 C ATOM 307 O ARG A 41 -9.430 -9.661 -1.224 1.00 0.00 O ATOM 308 CB ARG A 41 -8.114 -11.999 -3.085 1.00 0.00 C ATOM 309 CG ARG A 41 -8.780 -12.852 -4.167 1.00 0.00 C ATOM 310 CD ARG A 41 -7.961 -12.836 -5.459 1.00 0.00 C ATOM 311 NE ARG A 41 -8.400 -13.931 -6.352 1.00 0.00 N ATOM 312 CZ ARG A 41 -8.028 -15.210 -6.209 1.00 0.00 C ATOM 313 NH1 ARG A 41 -7.207 -15.563 -5.210 1.00 0.00 N ATOM 314 NH2 ARG A 41 -8.476 -16.139 -7.066 1.00 0.00 N ATOM 0 H ARG A 41 -6.729 -10.381 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.491 -10.451 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.032 -12.119 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.426 -12.345 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.887 -13.877 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.784 -12.477 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.079 -11.876 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.901 -12.947 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.024 -13.698 -7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.865 -14.857 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.924 -16.537 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.100 -15.872 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.192 -17.113 -6.957 1.00 0.00 H new ATOM 328 N LYS A 42 -7.197 -9.449 -1.515 1.00 0.00 N ATOM 329 CA LYS A 42 -6.982 -8.779 -0.243 1.00 0.00 C ATOM 330 C LYS A 42 -7.710 -7.433 -0.252 1.00 0.00 C ATOM 331 O LYS A 42 -8.196 -6.979 0.783 1.00 0.00 O ATOM 332 CB LYS A 42 -5.486 -8.668 0.058 1.00 0.00 C ATOM 333 CG LYS A 42 -5.009 -9.850 0.905 1.00 0.00 C ATOM 334 CD LYS A 42 -4.879 -11.115 0.054 1.00 0.00 C ATOM 335 CE LYS A 42 -4.758 -12.359 0.938 1.00 0.00 C ATOM 336 NZ LYS A 42 -6.072 -13.029 1.071 1.00 0.00 N ATOM 0 H LYS A 42 -6.353 -9.591 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.404 -9.365 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.925 -8.635 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.285 -7.735 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.047 -9.612 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.712 -10.026 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.747 -11.210 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.004 -11.036 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.033 -13.049 0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.385 -12.078 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.973 -13.871 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.754 -12.373 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.413 -13.314 0.131 1.00 0.00 H new ATOM 350 N ILE A 43 -7.759 -6.830 -1.431 1.00 0.00 N ATOM 351 CA ILE A 43 -8.418 -5.544 -1.588 1.00 0.00 C ATOM 352 C ILE A 43 -9.927 -5.725 -1.413 1.00 0.00 C ATOM 353 O ILE A 43 -10.548 -5.042 -0.599 1.00 0.00 O ATOM 354 CB ILE A 43 -8.027 -4.901 -2.920 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.516 -4.662 -2.990 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.822 -3.617 -3.163 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.019 -4.724 -4.435 1.00 0.00 C ATOM 0 H ILE A 43 -7.353 -7.208 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.087 -4.850 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.282 -5.594 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.278 -3.689 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.997 -5.410 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.525 -3.180 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.887 -3.847 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.621 -2.907 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.943 -4.551 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.237 -5.707 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.522 -3.958 -5.026 1.00 0.00 H new ATOM 369 N SER A 44 -10.475 -6.649 -2.188 1.00 0.00 N ATOM 370 CA SER A 44 -11.900 -6.929 -2.129 1.00 0.00 C ATOM 371 C SER A 44 -12.244 -7.607 -0.802 1.00 0.00 C ATOM 372 O SER A 44 -13.379 -7.520 -0.332 1.00 0.00 O ATOM 373 CB SER A 44 -12.339 -7.805 -3.303 1.00 0.00 C ATOM 374 OG SER A 44 -13.756 -7.937 -3.371 1.00 0.00 O ATOM 0 H SER A 44 -9.957 -7.214 -2.861 1.00 0.00 H new ATOM 0 HA SER A 44 -12.438 -5.983 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.970 -7.375 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.887 -8.792 -3.207 1.00 0.00 H new ATOM 0 HG SER A 44 -13.996 -8.502 -4.135 1.00 0.00 H new ATOM 380 N GLU A 45 -11.247 -8.269 -0.234 1.00 0.00 N ATOM 381 CA GLU A 45 -11.430 -8.961 1.029 1.00 0.00 C ATOM 382 C GLU A 45 -11.510 -7.955 2.179 1.00 0.00 C ATOM 383 O GLU A 45 -12.081 -8.251 3.229 1.00 0.00 O ATOM 384 CB GLU A 45 -10.309 -9.977 1.266 1.00 0.00 C ATOM 385 CG GLU A 45 -10.575 -11.273 0.498 1.00 0.00 C ATOM 386 CD GLU A 45 -10.901 -12.421 1.455 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.815 -12.225 2.284 1.00 0.00 O ATOM 388 OE2 GLU A 45 -10.230 -13.469 1.335 1.00 0.00 O ATOM 0 H GLU A 45 -10.308 -8.340 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.370 -9.510 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.356 -9.552 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.226 -10.191 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.404 -11.126 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.701 -11.531 -0.101 1.00 0.00 H new ATOM 395 N LEU A 46 -10.931 -6.788 1.944 1.00 0.00 N ATOM 396 CA LEU A 46 -10.929 -5.736 2.946 1.00 0.00 C ATOM 397 C LEU A 46 -12.172 -4.863 2.764 1.00 0.00 C ATOM 398 O LEU A 46 -12.609 -4.197 3.701 1.00 0.00 O ATOM 399 CB LEU A 46 -9.616 -4.955 2.902 1.00 0.00 C ATOM 400 CG LEU A 46 -9.628 -3.669 2.072 1.00 0.00 C ATOM 401 CD1 LEU A 46 -9.796 -2.440 2.966 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.379 -3.573 1.192 1.00 0.00 C ATOM 0 H LEU A 46 -10.459 -6.547 1.073 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.983 -6.163 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.332 -4.702 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.839 -5.611 2.509 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.490 -3.701 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.801 -1.540 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.737 -2.512 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.969 -2.390 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.412 -2.650 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.489 -3.574 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.345 -4.426 0.514 1.00 0.00 H new ATOM 414 N GLY A 47 -12.707 -4.895 1.553 1.00 0.00 N ATOM 415 CA GLY A 47 -13.890 -4.114 1.237 1.00 0.00 C ATOM 416 C GLY A 47 -13.566 -3.012 0.225 1.00 0.00 C ATOM 417 O GLY A 47 -14.254 -1.994 0.167 1.00 0.00 O ATOM 0 H GLY A 47 -12.343 -5.450 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.664 -4.767 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.291 -3.670 2.148 1.00 0.00 H new ATOM 421 N PHE A 48 -12.516 -3.251 -0.548 1.00 0.00 N ATOM 422 CA PHE A 48 -12.091 -2.292 -1.552 1.00 0.00 C ATOM 423 C PHE A 48 -12.298 -2.847 -2.963 1.00 0.00 C ATOM 424 O PHE A 48 -12.730 -3.988 -3.127 1.00 0.00 O ATOM 425 CB PHE A 48 -10.598 -2.042 -1.329 1.00 0.00 C ATOM 426 CG PHE A 48 -10.290 -1.133 -0.137 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.301 -0.683 0.655 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.006 -0.774 0.130 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.015 0.159 1.760 1.00 0.00 C ATOM 430 CE2 PHE A 48 -8.720 0.068 1.236 1.00 0.00 C ATOM 431 CZ PHE A 48 -9.731 0.518 2.028 1.00 0.00 C ATOM 0 H PHE A 48 -11.947 -4.096 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.675 -1.376 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.098 -2.999 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.176 -1.597 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.321 -0.967 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.204 -1.130 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.817 0.515 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.700 0.352 1.449 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.514 1.160 2.869 1.00 0.00 H new ATOM 441 N ASP A 49 -11.981 -2.016 -3.944 1.00 0.00 N ATOM 442 CA ASP A 49 -12.127 -2.410 -5.335 1.00 0.00 C ATOM 443 C ASP A 49 -10.769 -2.313 -6.033 1.00 0.00 C ATOM 444 O ASP A 49 -9.860 -1.647 -5.540 1.00 0.00 O ATOM 445 CB ASP A 49 -13.102 -1.489 -6.069 1.00 0.00 C ATOM 446 CG ASP A 49 -14.408 -2.151 -6.512 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.166 -2.572 -5.611 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.621 -2.222 -7.742 1.00 0.00 O ATOM 0 H ASP A 49 -11.623 -1.071 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.509 -3.431 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.341 -0.647 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.602 -1.082 -6.948 1.00 0.00 H new ATOM 453 N VAL A 50 -10.674 -2.987 -7.170 1.00 0.00 N ATOM 454 CA VAL A 50 -9.442 -2.985 -7.940 1.00 0.00 C ATOM 455 C VAL A 50 -9.779 -2.900 -9.431 1.00 0.00 C ATOM 456 O VAL A 50 -10.657 -3.615 -9.915 1.00 0.00 O ATOM 457 CB VAL A 50 -8.602 -4.214 -7.587 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.454 -5.485 -7.606 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.399 -4.345 -8.524 1.00 0.00 C ATOM 0 H VAL A 50 -11.430 -3.538 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.838 -2.113 -7.692 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.223 -4.080 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.832 -6.344 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.261 -5.393 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.876 -5.625 -8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.819 -5.227 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.748 -4.444 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.772 -3.457 -8.438 1.00 0.00 H new ATOM 469 N LYS A 51 -9.063 -2.023 -10.116 1.00 0.00 N ATOM 470 CA LYS A 51 -9.274 -1.835 -11.542 1.00 0.00 C ATOM 471 C LYS A 51 -8.010 -2.244 -12.300 1.00 0.00 C ATOM 472 O LYS A 51 -6.898 -2.043 -11.813 1.00 0.00 O ATOM 473 CB LYS A 51 -9.729 -0.403 -11.834 1.00 0.00 C ATOM 474 CG LYS A 51 -10.855 0.017 -10.887 1.00 0.00 C ATOM 475 CD LYS A 51 -12.148 -0.739 -11.203 1.00 0.00 C ATOM 476 CE LYS A 51 -13.375 0.078 -10.792 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.604 -0.738 -10.912 1.00 0.00 N ATOM 0 H LYS A 51 -8.335 -1.434 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.080 -2.479 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.886 0.279 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.070 -0.329 -12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.559 -0.177 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.026 1.090 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.194 -0.959 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.151 -1.695 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.261 0.425 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.457 0.964 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.427 -0.169 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.720 -1.049 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.530 -1.571 -10.293 1.00 0.00 H new ATOM 491 N SER A 52 -8.221 -2.812 -13.478 1.00 0.00 N ATOM 492 CA SER A 52 -7.111 -3.250 -14.307 1.00 0.00 C ATOM 493 C SER A 52 -6.921 -2.287 -15.480 1.00 0.00 C ATOM 494 O SER A 52 -7.627 -2.379 -16.484 1.00 0.00 O ATOM 495 CB SER A 52 -7.338 -4.674 -14.820 1.00 0.00 C ATOM 496 OG SER A 52 -6.999 -5.654 -13.843 1.00 0.00 O ATOM 0 H SER A 52 -9.144 -2.979 -13.878 1.00 0.00 H new ATOM 0 HA SER A 52 -6.207 -3.251 -13.697 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.383 -4.794 -15.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.741 -4.835 -15.718 1.00 0.00 H new ATOM 0 HG SER A 52 -7.159 -6.549 -14.208 1.00 0.00 H new ATOM 502 N GLU A 53 -5.965 -1.386 -15.315 1.00 0.00 N ATOM 503 CA GLU A 53 -5.674 -0.405 -16.348 1.00 0.00 C ATOM 504 C GLU A 53 -4.414 -0.808 -17.120 1.00 0.00 C ATOM 505 O GLU A 53 -3.306 -0.433 -16.743 1.00 0.00 O ATOM 506 CB GLU A 53 -5.527 0.994 -15.750 1.00 0.00 C ATOM 507 CG GLU A 53 -6.896 1.608 -15.448 1.00 0.00 C ATOM 508 CD GLU A 53 -7.053 2.964 -16.138 1.00 0.00 C ATOM 509 OE1 GLU A 53 -7.062 2.967 -17.388 1.00 0.00 O ATOM 510 OE2 GLU A 53 -7.160 3.968 -15.400 1.00 0.00 O ATOM 0 H GLU A 53 -5.381 -1.314 -14.482 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.512 -0.379 -17.045 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.938 0.942 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.982 1.634 -16.444 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.683 0.932 -15.783 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.015 1.728 -14.371 1.00 0.00 H new ATOM 517 N GLY A 54 -4.629 -1.565 -18.185 1.00 0.00 N ATOM 518 CA GLY A 54 -3.526 -2.020 -19.013 1.00 0.00 C ATOM 519 C GLY A 54 -2.790 -3.188 -18.353 1.00 0.00 C ATOM 520 O GLY A 54 -3.326 -4.290 -18.259 1.00 0.00 O ATOM 0 H GLY A 54 -5.551 -1.875 -18.494 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.902 -2.327 -19.989 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.831 -1.198 -19.184 1.00 0.00 H new ATOM 524 N ASP A 55 -1.574 -2.904 -17.911 1.00 0.00 N ATOM 525 CA ASP A 55 -0.759 -3.917 -17.261 1.00 0.00 C ATOM 526 C ASP A 55 -0.522 -3.517 -15.803 1.00 0.00 C ATOM 527 O ASP A 55 0.088 -4.265 -15.041 1.00 0.00 O ATOM 528 CB ASP A 55 0.605 -4.048 -17.943 1.00 0.00 C ATOM 529 CG ASP A 55 0.653 -5.035 -19.108 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.661 -6.252 -18.822 1.00 0.00 O ATOM 531 OD2 ASP A 55 0.681 -4.553 -20.262 1.00 0.00 O ATOM 0 H ASP A 55 -1.133 -1.988 -17.990 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.288 -4.868 -17.326 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.909 -3.066 -18.306 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.339 -4.353 -17.197 1.00 0.00 H new ATOM 536 N LEU A 56 -1.018 -2.339 -15.458 1.00 0.00 N ATOM 537 CA LEU A 56 -0.870 -1.830 -14.105 1.00 0.00 C ATOM 538 C LEU A 56 -2.137 -2.141 -13.306 1.00 0.00 C ATOM 539 O LEU A 56 -3.202 -2.355 -13.882 1.00 0.00 O ATOM 540 CB LEU A 56 -0.506 -0.343 -14.128 1.00 0.00 C ATOM 541 CG LEU A 56 0.712 0.036 -14.973 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.467 1.212 -14.349 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.621 -1.174 -15.199 1.00 0.00 C ATOM 0 H LEU A 56 -1.524 -1.721 -16.093 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.043 -2.329 -13.599 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.367 0.216 -14.496 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.328 -0.017 -13.103 1.00 0.00 H new ATOM 0 HG LEU A 56 0.361 0.362 -15.952 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.328 1.462 -14.969 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.805 2.075 -14.283 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.806 0.938 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.479 -0.877 -15.802 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.967 -1.553 -14.238 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.065 -1.955 -15.718 1.00 0.00 H new ATOM 555 N ILE A 57 -1.979 -2.155 -11.990 1.00 0.00 N ATOM 556 CA ILE A 57 -3.096 -2.437 -11.106 1.00 0.00 C ATOM 557 C ILE A 57 -3.521 -1.147 -10.402 1.00 0.00 C ATOM 558 O ILE A 57 -2.677 -0.354 -9.986 1.00 0.00 O ATOM 559 CB ILE A 57 -2.746 -3.575 -10.145 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.919 -4.546 -9.994 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.278 -3.027 -8.794 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.682 -5.514 -8.832 1.00 0.00 C ATOM 0 H ILE A 57 -1.094 -1.976 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.955 -2.787 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.915 -4.138 -10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.839 -3.987 -9.825 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.053 -5.108 -10.919 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.035 -3.856 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.393 -2.408 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.072 -2.427 -8.350 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.530 -6.193 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.774 -6.088 -9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.573 -4.950 -7.905 1.00 0.00 H new ATOM 574 N ILE A 58 -4.831 -0.975 -10.291 1.00 0.00 N ATOM 575 CA ILE A 58 -5.377 0.206 -9.645 1.00 0.00 C ATOM 576 C ILE A 58 -6.184 -0.218 -8.415 1.00 0.00 C ATOM 577 O ILE A 58 -7.010 -1.126 -8.493 1.00 0.00 O ATOM 578 CB ILE A 58 -6.178 1.042 -10.646 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.363 1.306 -11.914 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.675 2.339 -10.004 1.00 0.00 C ATOM 581 CD1 ILE A 58 -4.141 2.175 -11.610 1.00 0.00 C ATOM 0 H ILE A 58 -5.529 -1.633 -10.637 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.574 0.853 -9.293 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.059 0.471 -10.941 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.041 0.359 -12.347 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.989 1.800 -12.657 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.241 2.914 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.316 2.102 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.822 2.926 -9.662 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.580 2.347 -12.528 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.467 3.131 -11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.505 1.667 -10.885 1.00 0.00 H new ATOM 593 N ALA A 59 -5.915 0.459 -7.309 1.00 0.00 N ATOM 594 CA ALA A 59 -6.606 0.164 -6.065 1.00 0.00 C ATOM 595 C ALA A 59 -7.728 1.182 -5.855 1.00 0.00 C ATOM 596 O ALA A 59 -7.583 2.353 -6.205 1.00 0.00 O ATOM 597 CB ALA A 59 -5.600 0.160 -4.912 1.00 0.00 C ATOM 0 H ALA A 59 -5.228 1.211 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.062 -0.825 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.117 -0.061 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.840 -0.600 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.125 1.138 -4.840 1.00 0.00 H new ATOM 603 N SER A 60 -8.823 0.700 -5.285 1.00 0.00 N ATOM 604 CA SER A 60 -9.969 1.554 -5.025 1.00 0.00 C ATOM 605 C SER A 60 -10.202 1.674 -3.517 1.00 0.00 C ATOM 606 O SER A 60 -10.754 0.768 -2.897 1.00 0.00 O ATOM 607 CB SER A 60 -11.225 1.014 -5.713 1.00 0.00 C ATOM 608 OG SER A 60 -11.799 1.969 -6.601 1.00 0.00 O ATOM 0 H SER A 60 -8.940 -0.271 -4.996 1.00 0.00 H new ATOM 0 HA SER A 60 -9.758 2.542 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.975 0.109 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.960 0.733 -4.958 1.00 0.00 H new ATOM 0 HG SER A 60 -12.597 1.586 -7.022 1.00 0.00 H new ATOM 614 N ILE A 61 -9.766 2.801 -2.972 1.00 0.00 N ATOM 615 CA ILE A 61 -9.919 3.052 -1.549 1.00 0.00 C ATOM 616 C ILE A 61 -10.706 4.347 -1.346 1.00 0.00 C ATOM 617 O ILE A 61 -10.704 5.221 -2.213 1.00 0.00 O ATOM 618 CB ILE A 61 -8.555 3.045 -0.855 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.777 4.326 -1.161 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.759 1.790 -1.222 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.356 4.252 -0.600 1.00 0.00 C ATOM 0 H ILE A 61 -9.307 3.550 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.494 2.253 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.721 3.018 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.738 4.483 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.297 5.183 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.794 1.810 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.313 0.904 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.602 1.761 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.825 5.175 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.398 4.119 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.831 3.409 -1.049 1.00 0.00 H new ATOM 633 N PRO A 62 -11.377 4.434 -0.166 1.00 0.00 N ATOM 634 CA PRO A 62 -12.166 5.607 0.162 1.00 0.00 C ATOM 635 C PRO A 62 -11.266 6.783 0.549 1.00 0.00 C ATOM 636 O PRO A 62 -10.272 6.604 1.249 1.00 0.00 O ATOM 637 CB PRO A 62 -13.082 5.163 1.290 1.00 0.00 C ATOM 638 CG PRO A 62 -12.454 3.903 1.866 1.00 0.00 C ATOM 639 CD PRO A 62 -11.401 3.417 0.883 1.00 0.00 C ATOM 0 HA PRO A 62 -12.748 5.972 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.169 5.939 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.088 4.964 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.004 4.110 2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.212 3.136 2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.427 3.319 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.658 2.438 0.479 1.00 0.00 H new ATOM 647 N GLY A 63 -11.649 7.960 0.076 1.00 0.00 N ATOM 648 CA GLY A 63 -10.889 9.164 0.364 1.00 0.00 C ATOM 649 C GLY A 63 -9.882 9.457 -0.751 1.00 0.00 C ATOM 650 O GLY A 63 -9.493 10.606 -0.954 1.00 0.00 O ATOM 0 H GLY A 63 -12.475 8.105 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.568 10.009 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.364 9.049 1.312 1.00 0.00 H new ATOM 654 N ILE A 64 -9.490 8.398 -1.443 1.00 0.00 N ATOM 655 CA ILE A 64 -8.536 8.527 -2.531 1.00 0.00 C ATOM 656 C ILE A 64 -9.262 8.334 -3.865 1.00 0.00 C ATOM 657 O ILE A 64 -10.199 7.544 -3.956 1.00 0.00 O ATOM 658 CB ILE A 64 -7.358 7.572 -2.328 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.431 8.071 -1.218 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.608 7.339 -3.641 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.689 7.323 0.090 1.00 0.00 C ATOM 0 H ILE A 64 -9.816 7.447 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.105 9.528 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.752 6.608 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.392 7.936 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.583 9.140 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.776 6.657 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.287 6.905 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.227 8.289 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.017 7.697 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.722 7.480 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.513 6.258 -0.059 1.00 0.00 H new ATOM 673 N SER A 65 -8.801 9.071 -4.864 1.00 0.00 N ATOM 674 CA SER A 65 -9.394 8.992 -6.189 1.00 0.00 C ATOM 675 C SER A 65 -8.915 7.724 -6.899 1.00 0.00 C ATOM 676 O SER A 65 -9.718 6.853 -7.229 1.00 0.00 O ATOM 677 CB SER A 65 -9.051 10.228 -7.021 1.00 0.00 C ATOM 678 OG SER A 65 -9.999 11.276 -6.833 1.00 0.00 O ATOM 0 H SER A 65 -8.023 9.726 -4.783 1.00 0.00 H new ATOM 0 HA SER A 65 -10.478 8.953 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.057 10.584 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.014 9.957 -8.076 1.00 0.00 H new ATOM 0 HG SER A 65 -9.745 12.049 -7.379 1.00 0.00 H new ATOM 684 N ARG A 66 -7.611 7.661 -7.117 1.00 0.00 N ATOM 685 CA ARG A 66 -7.015 6.515 -7.783 1.00 0.00 C ATOM 686 C ARG A 66 -5.546 6.371 -7.382 1.00 0.00 C ATOM 687 O ARG A 66 -4.841 7.367 -7.226 1.00 0.00 O ATOM 688 CB ARG A 66 -7.110 6.653 -9.305 1.00 0.00 C ATOM 689 CG ARG A 66 -6.356 7.892 -9.790 1.00 0.00 C ATOM 690 CD ARG A 66 -5.347 7.526 -10.882 1.00 0.00 C ATOM 691 NE ARG A 66 -5.217 8.642 -11.845 1.00 0.00 N ATOM 692 CZ ARG A 66 -4.580 8.550 -13.021 1.00 0.00 C ATOM 693 NH1 ARG A 66 -4.009 7.393 -13.384 1.00 0.00 N ATOM 694 NH2 ARG A 66 -4.512 9.614 -13.832 1.00 0.00 N ATOM 0 H ARG A 66 -6.948 8.387 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.567 5.628 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.699 5.763 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.156 6.719 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.064 8.626 -10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.838 8.358 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.378 7.306 -10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.671 6.623 -11.400 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.639 9.538 -11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.059 6.583 -12.766 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.524 7.322 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.945 10.495 -13.555 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.027 9.543 -14.727 1.00 0.00 H new ATOM 708 N ILE A 67 -5.129 5.124 -7.226 1.00 0.00 N ATOM 709 CA ILE A 67 -3.756 4.835 -6.845 1.00 0.00 C ATOM 710 C ILE A 67 -3.245 3.645 -7.659 1.00 0.00 C ATOM 711 O ILE A 67 -4.030 2.804 -8.095 1.00 0.00 O ATOM 712 CB ILE A 67 -3.650 4.637 -5.332 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.606 3.543 -4.855 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.872 5.955 -4.589 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.952 4.135 -4.432 1.00 0.00 C ATOM 0 H ILE A 67 -5.717 4.301 -7.356 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.110 5.681 -7.078 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.638 4.304 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.759 2.816 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.161 3.007 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.791 5.785 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.119 6.679 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.864 6.341 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.612 3.335 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.798 4.843 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.406 4.649 -5.279 1.00 0.00 H new ATOM 727 N GLU A 68 -1.933 3.613 -7.840 1.00 0.00 N ATOM 728 CA GLU A 68 -1.308 2.540 -8.594 1.00 0.00 C ATOM 729 C GLU A 68 -0.502 1.634 -7.660 1.00 0.00 C ATOM 730 O GLU A 68 0.200 2.118 -6.774 1.00 0.00 O ATOM 731 CB GLU A 68 -0.424 3.097 -9.712 1.00 0.00 C ATOM 732 CG GLU A 68 -1.116 2.973 -11.070 1.00 0.00 C ATOM 733 CD GLU A 68 -0.366 3.767 -12.142 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.826 4.054 -11.906 1.00 0.00 O ATOM 735 OE2 GLU A 68 -1.003 4.067 -13.176 1.00 0.00 O ATOM 0 H GLU A 68 -1.286 4.313 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.094 1.945 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.194 4.143 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.524 2.560 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.170 1.924 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.141 3.336 -10.994 1.00 0.00 H new ATOM 742 N ILE A 69 -0.631 0.335 -7.891 1.00 0.00 N ATOM 743 CA ILE A 69 0.076 -0.643 -7.080 1.00 0.00 C ATOM 744 C ILE A 69 0.966 -1.498 -7.983 1.00 0.00 C ATOM 745 O ILE A 69 0.538 -1.934 -9.052 1.00 0.00 O ATOM 746 CB ILE A 69 -0.911 -1.456 -6.240 1.00 0.00 C ATOM 747 CG1 ILE A 69 -2.211 -0.680 -6.018 1.00 0.00 C ATOM 748 CG2 ILE A 69 -0.274 -1.898 -4.922 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.998 0.474 -5.036 1.00 0.00 C ATOM 0 H ILE A 69 -1.214 -0.063 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 69 0.731 -0.145 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.167 -2.360 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.574 -0.291 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.979 -1.352 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.997 -2.474 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.600 -2.516 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.029 -1.020 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.937 1.010 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.658 0.079 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.247 1.156 -5.434 1.00 0.00 H new ATOM 761 N LYS A 70 2.189 -1.714 -7.521 1.00 0.00 N ATOM 762 CA LYS A 70 3.144 -2.511 -8.275 1.00 0.00 C ATOM 763 C LYS A 70 3.838 -3.494 -7.330 1.00 0.00 C ATOM 764 O LYS A 70 4.874 -3.174 -6.748 1.00 0.00 O ATOM 765 CB LYS A 70 4.110 -1.605 -9.039 1.00 0.00 C ATOM 766 CG LYS A 70 3.703 -1.484 -10.509 1.00 0.00 C ATOM 767 CD LYS A 70 2.726 -0.325 -10.714 1.00 0.00 C ATOM 768 CE LYS A 70 3.410 1.020 -10.465 1.00 0.00 C ATOM 769 NZ LYS A 70 2.818 2.071 -11.322 1.00 0.00 N ATOM 0 H LYS A 70 2.541 -1.352 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 70 2.633 -3.104 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.127 -0.616 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.121 -2.006 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.590 -1.330 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.243 -2.415 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.331 -0.353 -11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.878 -0.436 -10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.307 1.298 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.477 0.935 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.975 3.003 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.266 2.047 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.796 1.903 -11.421 1.00 0.00 H new ATOM 783 N PRO A 71 3.224 -4.700 -7.203 1.00 0.00 N ATOM 784 CA PRO A 71 3.773 -5.732 -6.339 1.00 0.00 C ATOM 785 C PRO A 71 5.001 -6.385 -6.976 1.00 0.00 C ATOM 786 O PRO A 71 5.031 -6.613 -8.185 1.00 0.00 O ATOM 787 CB PRO A 71 2.629 -6.708 -6.119 1.00 0.00 C ATOM 788 CG PRO A 71 1.630 -6.440 -7.232 1.00 0.00 C ATOM 789 CD PRO A 71 1.996 -5.114 -7.878 1.00 0.00 C ATOM 0 HA PRO A 71 4.133 -5.338 -5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.983 -7.738 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.172 -6.560 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.655 -7.243 -7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.616 -6.404 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.152 -5.226 -8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.204 -4.377 -7.746 1.00 0.00 H new ATOM 797 N ASP A 72 5.985 -6.667 -6.135 1.00 0.00 N ATOM 798 CA ASP A 72 7.213 -7.290 -6.600 1.00 0.00 C ATOM 799 C ASP A 72 7.699 -8.294 -5.554 1.00 0.00 C ATOM 800 O ASP A 72 7.490 -8.099 -4.357 1.00 0.00 O ATOM 801 CB ASP A 72 8.314 -6.248 -6.805 1.00 0.00 C ATOM 802 CG ASP A 72 9.108 -6.394 -8.105 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.478 -6.246 -9.174 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.326 -6.650 -8.001 1.00 0.00 O ATOM 0 H ASP A 72 5.957 -6.475 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 72 7.003 -7.784 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.863 -5.256 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.007 -6.303 -5.965 1.00 0.00 H new ATOM 809 N LYS A 73 8.339 -9.346 -6.042 1.00 0.00 N ATOM 810 CA LYS A 73 8.857 -10.380 -5.164 1.00 0.00 C ATOM 811 C LYS A 73 9.721 -9.735 -4.077 1.00 0.00 C ATOM 812 O LYS A 73 9.713 -10.178 -2.929 1.00 0.00 O ATOM 813 CB LYS A 73 9.589 -11.454 -5.972 1.00 0.00 C ATOM 814 CG LYS A 73 8.599 -12.441 -6.593 1.00 0.00 C ATOM 815 CD LYS A 73 9.240 -13.817 -6.779 1.00 0.00 C ATOM 816 CE LYS A 73 8.181 -14.882 -7.073 1.00 0.00 C ATOM 817 NZ LYS A 73 8.815 -16.206 -7.259 1.00 0.00 N ATOM 0 H LYS A 73 8.511 -9.504 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 73 8.039 -10.895 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.180 -10.984 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.285 -11.989 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.719 -12.529 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.258 -12.062 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.959 -13.779 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.794 -14.088 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.465 -14.927 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.623 -14.611 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.082 -16.917 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.481 -16.163 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.328 -16.470 -6.394 1.00 0.00 H new ATOM 831 N ARG A 74 10.443 -8.700 -4.477 1.00 0.00 N ATOM 832 CA ARG A 74 11.310 -7.990 -3.551 1.00 0.00 C ATOM 833 C ARG A 74 10.475 -7.181 -2.556 1.00 0.00 C ATOM 834 O ARG A 74 10.433 -7.502 -1.370 1.00 0.00 O ATOM 835 CB ARG A 74 12.256 -7.045 -4.297 1.00 0.00 C ATOM 836 CG ARG A 74 13.580 -7.742 -4.623 1.00 0.00 C ATOM 837 CD ARG A 74 14.586 -7.567 -3.484 1.00 0.00 C ATOM 838 NE ARG A 74 14.356 -8.593 -2.442 1.00 0.00 N ATOM 839 CZ ARG A 74 13.559 -8.420 -1.379 1.00 0.00 C ATOM 840 NH1 ARG A 74 12.910 -7.260 -1.211 1.00 0.00 N ATOM 841 NH2 ARG A 74 13.410 -9.406 -0.486 1.00 0.00 N ATOM 0 H ARG A 74 10.446 -8.335 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 74 11.902 -8.732 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.784 -6.704 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.446 -6.160 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.403 -8.803 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.994 -7.332 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.602 -7.650 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.489 -6.571 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 74 14.835 -9.488 -2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.023 -6.509 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.303 -7.128 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.903 -10.289 -0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.803 -9.274 0.323 1.00 0.00 H new ATOM 855 N LYS A 75 9.829 -6.148 -3.077 1.00 0.00 N ATOM 856 CA LYS A 75 8.997 -5.291 -2.249 1.00 0.00 C ATOM 857 C LYS A 75 7.841 -4.743 -3.089 1.00 0.00 C ATOM 858 O LYS A 75 7.586 -5.226 -4.191 1.00 0.00 O ATOM 859 CB LYS A 75 9.843 -4.204 -1.583 1.00 0.00 C ATOM 860 CG LYS A 75 10.551 -3.343 -2.631 1.00 0.00 C ATOM 861 CD LYS A 75 9.629 -2.235 -3.145 1.00 0.00 C ATOM 862 CE LYS A 75 10.438 -1.033 -3.638 1.00 0.00 C ATOM 863 NZ LYS A 75 10.632 -1.105 -5.103 1.00 0.00 N ATOM 0 H LYS A 75 9.865 -5.885 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 75 8.555 -5.863 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.208 -3.575 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.581 -4.664 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.449 -2.902 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.873 -3.969 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.010 -2.619 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.953 -1.921 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.922 -0.109 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.406 -1.009 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.646 -1.036 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.262 -2.010 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.125 -0.320 -5.559 1.00 0.00 H new ATOM 877 N ILE A 76 7.172 -3.742 -2.537 1.00 0.00 N ATOM 878 CA ILE A 76 6.051 -3.123 -3.221 1.00 0.00 C ATOM 879 C ILE A 76 6.168 -1.601 -3.112 1.00 0.00 C ATOM 880 O ILE A 76 6.927 -1.092 -2.289 1.00 0.00 O ATOM 881 CB ILE A 76 4.727 -3.677 -2.690 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.393 -3.079 -1.322 1.00 0.00 C ATOM 883 CG2 ILE A 76 4.746 -5.206 -2.659 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.075 -3.643 -0.785 1.00 0.00 C ATOM 0 H ILE A 76 7.386 -3.344 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 76 6.071 -3.369 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 76 3.932 -3.379 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.198 -3.295 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.323 -1.994 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.793 -5.574 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.905 -5.588 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.553 -5.547 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.860 -3.202 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.268 -3.404 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.157 -4.725 -0.683 1.00 0.00 H new ATOM 896 N LEU A 77 5.406 -0.919 -3.955 1.00 0.00 N ATOM 897 CA LEU A 77 5.416 0.534 -3.964 1.00 0.00 C ATOM 898 C LEU A 77 4.034 1.046 -4.376 1.00 0.00 C ATOM 899 O LEU A 77 3.297 0.357 -5.078 1.00 0.00 O ATOM 900 CB LEU A 77 6.553 1.058 -4.844 1.00 0.00 C ATOM 901 CG LEU A 77 6.977 0.151 -6.001 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.608 -1.143 -5.481 1.00 0.00 C ATOM 903 CD2 LEU A 77 5.803 -0.122 -6.942 1.00 0.00 C ATOM 0 H LEU A 77 4.778 -1.346 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 77 5.615 0.919 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.253 2.022 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.422 1.238 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 77 7.740 0.671 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.900 -1.769 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.488 -0.904 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.886 -1.678 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.132 -0.769 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.001 -0.612 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.439 0.820 -7.352 1.00 0.00 H new ATOM 915 N VAL A 78 3.726 2.252 -3.920 1.00 0.00 N ATOM 916 CA VAL A 78 2.445 2.865 -4.234 1.00 0.00 C ATOM 917 C VAL A 78 2.674 4.307 -4.690 1.00 0.00 C ATOM 918 O VAL A 78 3.604 4.968 -4.232 1.00 0.00 O ATOM 919 CB VAL A 78 1.507 2.761 -3.029 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.049 2.646 -3.479 1.00 0.00 C ATOM 921 CG2 VAL A 78 1.899 1.587 -2.129 1.00 0.00 C ATOM 0 H VAL A 78 4.340 2.820 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 78 1.959 2.337 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 78 1.606 3.677 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.597 2.573 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.223 3.528 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.073 1.755 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.217 1.535 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.842 0.658 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.917 1.730 -1.768 1.00 0.00 H new ATOM 931 N ASN A 79 1.808 4.752 -5.589 1.00 0.00 N ATOM 932 CA ASN A 79 1.903 6.104 -6.115 1.00 0.00 C ATOM 933 C ASN A 79 0.529 6.773 -6.041 1.00 0.00 C ATOM 934 O ASN A 79 -0.416 6.331 -6.692 1.00 0.00 O ATOM 935 CB ASN A 79 2.348 6.096 -7.579 1.00 0.00 C ATOM 936 CG ASN A 79 2.607 7.519 -8.080 1.00 0.00 C ATOM 937 OD1 ASN A 79 2.937 8.420 -7.325 1.00 0.00 O ATOM 938 ND2 ASN A 79 2.440 7.669 -9.391 1.00 0.00 N ATOM 0 H ASN A 79 1.037 4.201 -5.967 1.00 0.00 H new ATOM 0 HA ASN A 79 2.636 6.647 -5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.254 5.499 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.581 5.624 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.589 8.581 -9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.163 6.872 -9.964 1.00 0.00 H new ATOM 945 N THR A 80 0.462 7.828 -5.242 1.00 0.00 N ATOM 946 CA THR A 80 -0.780 8.563 -5.075 1.00 0.00 C ATOM 947 C THR A 80 -0.805 9.784 -5.995 1.00 0.00 C ATOM 948 O THR A 80 0.243 10.327 -6.342 1.00 0.00 O ATOM 949 CB THR A 80 -0.925 8.914 -3.592 1.00 0.00 C ATOM 950 OG1 THR A 80 0.264 9.638 -3.289 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.854 7.682 -2.688 1.00 0.00 C ATOM 0 H THR A 80 1.248 8.191 -4.703 1.00 0.00 H new ATOM 0 HA THR A 80 -1.640 7.960 -5.366 1.00 0.00 H new ATOM 0 HB THR A 80 -1.874 9.426 -3.431 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.252 9.906 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.962 7.988 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.657 6.992 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.108 7.187 -2.823 1.00 0.00 H new ATOM 959 N GLY A 81 -2.014 10.183 -6.363 1.00 0.00 N ATOM 960 CA GLY A 81 -2.189 11.331 -7.237 1.00 0.00 C ATOM 961 C GLY A 81 -2.678 12.549 -6.450 1.00 0.00 C ATOM 962 O GLY A 81 -1.954 13.079 -5.608 1.00 0.00 O ATOM 0 H GLY A 81 -2.881 9.732 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.245 11.566 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.905 11.089 -8.022 1.00 0.00 H new ATOM 966 N ASP A 82 -3.902 12.956 -6.751 1.00 0.00 N ATOM 967 CA ASP A 82 -4.495 14.102 -6.082 1.00 0.00 C ATOM 968 C ASP A 82 -5.538 13.614 -5.075 1.00 0.00 C ATOM 969 O ASP A 82 -6.319 12.711 -5.371 1.00 0.00 O ATOM 970 CB ASP A 82 -5.199 15.021 -7.083 1.00 0.00 C ATOM 971 CG ASP A 82 -5.568 14.363 -8.415 1.00 0.00 C ATOM 972 OD1 ASP A 82 -6.539 13.576 -8.408 1.00 0.00 O ATOM 973 OD2 ASP A 82 -4.873 14.664 -9.408 1.00 0.00 O ATOM 0 H ASP A 82 -4.500 12.513 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.697 14.654 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.108 15.408 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.554 15.877 -7.284 1.00 0.00 H new ATOM 978 N TYR A 83 -5.517 14.233 -3.903 1.00 0.00 N ATOM 979 CA TYR A 83 -6.451 13.874 -2.849 1.00 0.00 C ATOM 980 C TYR A 83 -7.548 14.931 -2.705 1.00 0.00 C ATOM 981 O TYR A 83 -7.376 16.072 -3.131 1.00 0.00 O ATOM 982 CB TYR A 83 -5.632 13.826 -1.559 1.00 0.00 C ATOM 983 CG TYR A 83 -4.937 12.486 -1.311 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.686 11.632 -2.365 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.563 12.129 -0.031 1.00 0.00 C ATOM 986 CE1 TYR A 83 -4.034 10.372 -2.132 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.909 10.866 0.203 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.677 10.051 -0.859 1.00 0.00 C ATOM 989 OH TYR A 83 -3.061 8.859 -0.638 1.00 0.00 O ATOM 0 H TYR A 83 -4.868 14.981 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.935 12.923 -3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.879 14.614 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.288 14.045 -0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.980 11.910 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.760 12.796 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.832 9.695 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.610 10.574 1.199 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.864 8.765 0.317 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.475 15.615 4.878 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.197 15.780 5.549 1.00 0.00 C ATOM 1046 C ASP A 88 -7.173 14.829 4.926 1.00 0.00 C ATOM 1047 O ASP A 88 -7.222 13.622 5.156 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.309 15.444 7.038 1.00 0.00 C ATOM 1049 CG ASP A 88 -8.621 16.635 7.947 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.624 17.323 7.657 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -7.853 16.829 8.913 1.00 0.00 O ATOM 0 HA ASP A 88 -7.888 16.819 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.088 14.693 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.372 14.992 7.365 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.269 15.410 4.150 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.235 14.630 3.492 1.00 0.00 C ATOM 1058 C LYS A 89 -4.535 13.745 4.525 1.00 0.00 C ATOM 1059 O LYS A 89 -4.019 12.680 4.189 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.283 15.546 2.720 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.013 16.261 1.582 1.00 0.00 C ATOM 1062 CD LYS A 89 -4.407 17.641 1.323 1.00 0.00 C ATOM 1063 CE LYS A 89 -5.031 18.292 0.087 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.049 19.165 -0.591 1.00 0.00 N ATOM 0 H LYS A 89 -6.232 16.412 3.962 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.674 13.965 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.851 16.282 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.457 14.961 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.957 15.659 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.069 16.365 1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.563 18.279 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.330 17.549 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.377 17.521 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.905 18.875 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.489 19.599 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.739 19.912 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.227 18.600 -0.886 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.538 14.219 5.763 1.00 0.00 N ATOM 1079 CA LEU A 90 -3.909 13.485 6.847 1.00 0.00 C ATOM 1080 C LEU A 90 -4.807 12.315 7.253 1.00 0.00 C ATOM 1081 O LEU A 90 -4.318 11.275 7.689 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.566 14.426 8.003 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.160 14.281 8.590 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -1.312 15.520 8.295 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -2.220 13.972 10.087 1.00 0.00 C ATOM 0 H LEU A 90 -4.966 15.103 6.039 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.960 13.061 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.691 15.453 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.290 14.267 8.802 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.674 13.435 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.318 15.391 8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.228 15.655 7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.785 16.398 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.208 13.874 10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.733 14.782 10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.762 13.040 10.245 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.106 12.524 7.096 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.078 11.501 7.440 1.00 0.00 C ATOM 1099 C ALA A 91 -7.042 10.396 6.384 1.00 0.00 C ATOM 1100 O ALA A 91 -6.909 9.218 6.716 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.463 12.136 7.573 1.00 0.00 C ATOM 0 H ALA A 91 -6.508 13.389 6.734 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.835 11.047 8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.192 11.368 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.442 12.894 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.743 12.599 6.627 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.163 10.810 5.132 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.148 9.871 4.025 1.00 0.00 C ATOM 1109 C VAL A 92 -5.836 9.082 4.051 1.00 0.00 C ATOM 1110 O VAL A 92 -5.767 7.968 3.534 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.375 10.610 2.706 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.702 11.370 2.724 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.208 11.551 2.397 1.00 0.00 C ATOM 0 H VAL A 92 -7.272 11.787 4.859 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.963 9.153 4.122 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.426 9.867 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.838 11.887 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.522 10.668 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.693 12.098 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.394 12.064 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.111 12.285 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.286 10.974 2.320 1.00 0.00 H new ATOM 1123 N VAL A 93 -4.828 9.691 4.658 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.523 9.062 4.758 1.00 0.00 C ATOM 1125 C VAL A 93 -3.599 7.895 5.744 1.00 0.00 C ATOM 1126 O VAL A 93 -2.967 6.859 5.537 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.468 10.100 5.141 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.452 9.514 6.124 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -1.769 10.659 3.899 1.00 0.00 C ATOM 0 H VAL A 93 -4.889 10.615 5.086 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.221 8.654 3.793 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.978 10.925 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.713 10.274 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.966 9.189 7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.952 8.661 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.024 11.395 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.280 9.847 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.505 11.133 3.250 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.378 8.099 6.796 1.00 0.00 N ATOM 1140 CA ARG A 94 -4.545 7.077 7.814 1.00 0.00 C ATOM 1141 C ARG A 94 -5.232 5.845 7.223 1.00 0.00 C ATOM 1142 O ARG A 94 -4.996 4.724 7.670 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.376 7.601 8.988 1.00 0.00 C ATOM 1144 CG ARG A 94 -6.851 7.229 8.825 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.109 5.793 9.288 1.00 0.00 C ATOM 1146 NE ARG A 94 -7.908 5.798 10.533 1.00 0.00 N ATOM 1147 CZ ARG A 94 -8.063 4.733 11.331 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -7.476 3.569 11.017 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -8.808 4.829 12.441 1.00 0.00 N ATOM 0 H ARG A 94 -4.901 8.958 6.965 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.554 6.805 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.994 7.188 9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.276 8.684 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.469 7.917 9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.143 7.336 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.636 5.241 8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.162 5.281 9.456 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.370 6.667 10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.912 3.494 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.594 2.758 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.257 5.713 12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.926 4.018 13.048 1.00 0.00 H new ATOM 1163 N THR A 95 -6.068 6.094 6.226 1.00 0.00 N ATOM 1164 CA THR A 95 -6.790 5.018 5.568 1.00 0.00 C ATOM 1165 C THR A 95 -5.954 4.433 4.428 1.00 0.00 C ATOM 1166 O THR A 95 -6.067 3.250 4.115 1.00 0.00 O ATOM 1167 CB THR A 95 -8.143 5.569 5.109 1.00 0.00 C ATOM 1168 OG1 THR A 95 -8.880 5.729 6.317 1.00 0.00 O ATOM 1169 CG2 THR A 95 -8.952 4.543 4.311 1.00 0.00 C ATOM 0 H THR A 95 -6.262 7.025 5.858 1.00 0.00 H new ATOM 0 HA THR A 95 -6.974 4.189 6.252 1.00 0.00 H new ATOM 0 HB THR A 95 -7.985 6.460 4.501 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.770 6.084 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.902 4.984 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.391 4.248 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.139 3.666 4.930 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.134 5.291 3.838 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.279 4.874 2.740 1.00 0.00 C ATOM 1179 C TYR A 96 -3.102 4.038 3.249 1.00 0.00 C ATOM 1180 O TYR A 96 -2.702 3.068 2.607 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.741 6.161 2.112 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.587 5.942 1.132 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.842 5.486 -0.145 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.288 6.197 1.528 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.755 5.279 -1.066 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.202 5.989 0.606 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.490 5.540 -0.645 1.00 0.00 C ATOM 1188 OH TYR A 96 0.539 5.345 -1.515 1.00 0.00 O ATOM 0 H TYR A 96 -5.044 6.273 4.100 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.837 4.264 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.555 6.666 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.407 6.828 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.857 5.284 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.088 6.552 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.941 4.924 -2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.818 6.185 0.901 1.00 0.00 H new ATOM 0 HH TYR A 96 1.387 5.338 -1.023 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.580 4.447 4.395 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.458 3.748 4.996 1.00 0.00 C ATOM 1200 C ASN A 97 -1.939 2.414 5.569 1.00 0.00 C ATOM 1201 O ASN A 97 -1.316 1.377 5.345 1.00 0.00 O ATOM 1202 CB ASN A 97 -0.851 4.561 6.142 1.00 0.00 C ATOM 1203 CG ASN A 97 0.395 5.319 5.677 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.521 4.945 5.959 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.130 6.402 4.951 1.00 0.00 N ATOM 0 H ASN A 97 -2.913 5.253 4.923 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.705 3.595 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.589 5.267 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.590 3.897 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.894 6.976 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.837 6.658 4.752 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.045 2.483 6.297 1.00 0.00 N ATOM 1213 CA ASP A 98 -3.618 1.293 6.903 1.00 0.00 C ATOM 1214 C ASP A 98 -3.827 0.227 5.824 1.00 0.00 C ATOM 1215 O ASP A 98 -3.630 -0.960 6.075 1.00 0.00 O ATOM 1216 CB ASP A 98 -4.977 1.598 7.536 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.466 0.560 8.547 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.761 -0.570 8.102 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -5.535 0.920 9.743 1.00 0.00 O ATOM 0 H ASP A 98 -3.559 3.345 6.480 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.932 0.942 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.921 2.567 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.719 1.688 6.742 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.224 0.691 4.649 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.463 -0.208 3.532 1.00 0.00 C ATOM 1226 C PHE A 99 -3.187 -0.967 3.157 1.00 0.00 C ATOM 1227 O PHE A 99 -3.200 -2.191 3.043 1.00 0.00 O ATOM 1228 CB PHE A 99 -4.894 0.657 2.346 1.00 0.00 C ATOM 1229 CG PHE A 99 -4.823 -0.059 0.996 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -5.500 -1.223 0.807 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -4.084 0.469 -0.017 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -5.435 -1.888 -0.446 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -4.018 -0.196 -1.269 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.696 -1.360 -1.458 1.00 0.00 C ATOM 0 H PHE A 99 -4.386 1.677 4.445 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.225 -0.940 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.916 0.999 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.263 1.545 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.088 -1.642 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.547 1.394 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.972 -2.813 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.429 0.222 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.647 -1.865 -2.412 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.116 -0.207 2.978 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.836 -0.793 2.619 1.00 0.00 C ATOM 1246 C ILE A 100 -0.257 -1.525 3.832 1.00 0.00 C ATOM 1247 O ILE A 100 0.386 -2.563 3.685 1.00 0.00 O ATOM 1248 CB ILE A 100 0.097 0.272 2.040 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.612 1.097 0.965 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.391 -0.357 1.520 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.926 0.241 -0.265 1.00 0.00 C ATOM 0 H ILE A 100 -2.109 0.808 3.075 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.964 -1.534 1.830 1.00 0.00 H new ATOM 0 HB ILE A 100 0.372 0.957 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.535 1.511 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.016 1.940 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.036 0.422 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.904 -0.863 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.156 -1.078 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.430 0.852 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.002 -0.152 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.574 -0.587 0.024 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.506 -0.954 5.002 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.016 -1.539 6.238 1.00 0.00 C ATOM 1265 C GLU A 101 -0.433 -3.009 6.332 1.00 0.00 C ATOM 1266 O GLU A 101 0.349 -3.853 6.765 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.513 -0.749 7.452 1.00 0.00 C ATOM 1268 CG GLU A 101 0.659 -0.275 8.314 1.00 0.00 C ATOM 1269 CD GLU A 101 0.475 -0.697 9.772 1.00 0.00 C ATOM 1270 OE1 GLU A 101 0.673 -1.902 10.043 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.139 0.192 10.584 1.00 0.00 O ATOM 0 H GLU A 101 -1.040 -0.093 5.120 1.00 0.00 H new ATOM 0 HA GLU A 101 1.073 -1.491 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.095 0.110 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.179 -1.372 8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.590 -0.689 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.743 0.810 8.254 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.665 -3.269 5.918 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.195 -4.621 5.950 1.00 0.00 C ATOM 1280 C LYS A 102 -1.771 -5.360 4.678 1.00 0.00 C ATOM 1281 O LYS A 102 -1.725 -6.589 4.657 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.709 -4.598 6.172 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.068 -5.146 7.555 1.00 0.00 C ATOM 1284 CD LYS A 102 -3.696 -6.626 7.671 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.335 -7.256 8.910 1.00 0.00 C ATOM 1286 NZ LYS A 102 -3.585 -8.463 9.323 1.00 0.00 N ATOM 0 H LYS A 102 -2.311 -2.566 5.559 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.781 -5.173 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.079 -3.578 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.202 -5.192 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.547 -4.575 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.136 -5.020 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.024 -7.158 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.612 -6.729 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.350 -6.533 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.371 -7.519 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.032 -8.878 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.592 -9.158 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.603 -8.202 9.545 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.472 -4.579 3.650 1.00 0.00 N ATOM 1301 CA LEU A 103 -1.055 -5.145 2.378 1.00 0.00 C ATOM 1302 C LEU A 103 0.435 -5.492 2.444 1.00 0.00 C ATOM 1303 O LEU A 103 0.950 -6.193 1.576 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.417 -4.202 1.228 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.218 -4.822 0.081 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.579 -5.321 0.571 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.353 -3.839 -1.084 1.00 0.00 C ATOM 0 H LEU A 103 -1.510 -3.560 3.672 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.591 -6.073 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.988 -3.367 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.495 -3.788 0.819 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.672 -5.689 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.129 -5.757 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.433 -6.076 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.146 -4.486 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.926 -4.303 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.867 -2.940 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.362 -3.573 -1.452 1.00 0.00 H new ATOM 1319 N THR A 104 1.082 -4.984 3.482 1.00 0.00 N ATOM 1320 CA THR A 104 2.501 -5.232 3.673 1.00 0.00 C ATOM 1321 C THR A 104 2.738 -6.001 4.974 1.00 0.00 C ATOM 1322 O THR A 104 3.556 -6.919 5.018 1.00 0.00 O ATOM 1323 CB THR A 104 3.227 -3.886 3.622 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.671 -3.150 4.708 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.852 -3.066 2.386 1.00 0.00 C ATOM 0 H THR A 104 0.650 -4.402 4.200 1.00 0.00 H new ATOM 0 HA THR A 104 2.902 -5.865 2.881 1.00 0.00 H new ATOM 0 HB THR A 104 4.304 -4.054 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.961 -2.563 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.394 -2.121 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.114 -3.623 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.780 -2.869 2.391 1.00 0.00 H new ATOM 1333 N GLY A 105 2.009 -5.597 6.004 1.00 0.00 N ATOM 1334 CA GLY A 105 2.130 -6.236 7.304 1.00 0.00 C ATOM 1335 C GLY A 105 2.918 -5.358 8.276 1.00 0.00 C ATOM 1336 O GLY A 105 2.588 -5.284 9.458 1.00 0.00 O ATOM 0 H GLY A 105 1.332 -4.835 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.138 -6.433 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.627 -7.200 7.194 1.00 0.00 H new ATOM 1340 N TYR A 106 3.946 -4.715 7.742 1.00 0.00 N ATOM 1341 CA TYR A 106 4.785 -3.844 8.546 1.00 0.00 C ATOM 1342 C TYR A 106 3.964 -2.714 9.170 1.00 0.00 C ATOM 1343 O TYR A 106 2.989 -2.251 8.580 1.00 0.00 O ATOM 1344 CB TYR A 106 5.812 -3.242 7.587 1.00 0.00 C ATOM 1345 CG TYR A 106 7.009 -4.152 7.304 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.899 -5.167 6.375 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.198 -3.959 7.978 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.025 -6.024 6.108 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.324 -4.816 7.710 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.181 -5.806 6.790 1.00 0.00 C ATOM 1351 OH TYR A 106 10.245 -6.616 6.538 1.00 0.00 O ATOM 0 H TYR A 106 4.217 -4.780 6.761 1.00 0.00 H new ATOM 0 HA TYR A 106 5.250 -4.403 9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.318 -3.005 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.174 -2.302 8.003 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.968 -5.318 5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.284 -3.166 8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.953 -6.821 5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.261 -4.675 8.228 1.00 0.00 H new ATOM 0 HH TYR A 106 11.003 -6.344 7.096 1.00 0.00 H new