USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 MET CE :methyl 151:sc= -0.0256 (180deg=-0.922) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 29 HIS : no HE2:sc= 0.0673 X(o=0.71,f=0.32) USER MOD Set 3.2: A 31 ASN : amide:sc= 0.643 X(o=0.71,f=0.59) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.62 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= 0.508 (180deg=-0.263) USER MOD Single : A 23 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.51 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 159:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.48) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 THR OG1 : rot -107:sc= 0.928 USER MOD Single : A 68 ASN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -171:sc=-0.00432 (180deg=-0.0346) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.46) USER MOD Single : A 95 TYR OH : rot 141:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.803 -2.155 -4.977 1.00 0.00 N ATOM 30 CA ASP A 3 4.986 -1.690 -6.377 1.00 0.00 C ATOM 31 C ASP A 3 6.495 -1.835 -6.797 1.00 0.00 C ATOM 32 O ASP A 3 7.300 -0.990 -6.388 1.00 0.00 O ATOM 33 CB ASP A 3 4.423 -0.246 -6.471 1.00 0.00 C ATOM 34 CG ASP A 3 4.403 0.386 -7.866 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.045 -0.024 -8.829 1.00 0.00 O ATOM 36 OD2 ASP A 3 3.601 1.485 -7.912 1.00 0.00 O ATOM 0 HA ASP A 3 4.435 -2.301 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.404 -0.250 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.012 0.394 -5.814 1.00 0.00 H new ATOM 41 N PRO A 4 6.928 -2.826 -7.633 1.00 0.00 N ATOM 42 CA PRO A 4 8.344 -2.927 -8.098 1.00 0.00 C ATOM 43 C PRO A 4 8.846 -1.848 -9.123 1.00 0.00 C ATOM 44 O PRO A 4 10.040 -1.540 -9.133 1.00 0.00 O ATOM 45 CB PRO A 4 8.394 -4.376 -8.617 1.00 0.00 C ATOM 46 CG PRO A 4 6.975 -4.694 -9.093 1.00 0.00 C ATOM 47 CD PRO A 4 6.057 -3.892 -8.167 1.00 0.00 C ATOM 0 HA PRO A 4 9.048 -2.707 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.112 -4.476 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.706 -5.063 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.834 -4.406 -10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.767 -5.762 -9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.207 -3.478 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.653 -4.515 -7.369 1.00 0.00 H new ATOM 55 N ALA A 5 7.951 -1.233 -9.923 1.00 0.00 N ATOM 56 CA ALA A 5 8.259 0.009 -10.690 1.00 0.00 C ATOM 57 C ALA A 5 8.518 1.308 -9.846 1.00 0.00 C ATOM 58 O ALA A 5 9.340 2.137 -10.242 1.00 0.00 O ATOM 59 CB ALA A 5 7.116 0.199 -11.704 1.00 0.00 C ATOM 0 H ALA A 5 6.999 -1.574 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 5 9.225 -0.136 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.297 1.099 -12.292 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.071 -0.665 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.170 0.297 -11.172 1.00 0.00 H new ATOM 65 N ALA A 6 7.884 1.470 -8.671 1.00 0.00 N ATOM 66 CA ALA A 6 8.381 2.402 -7.619 1.00 0.00 C ATOM 67 C ALA A 6 9.665 1.950 -6.836 1.00 0.00 C ATOM 68 O ALA A 6 10.470 2.801 -6.450 1.00 0.00 O ATOM 69 CB ALA A 6 7.199 2.678 -6.675 1.00 0.00 C ATOM 0 H ALA A 6 7.029 0.974 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 6 8.731 3.305 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.516 3.359 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.382 3.130 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.860 1.741 -6.233 1.00 0.00 H new ATOM 75 N GLY A 7 9.876 0.639 -6.619 1.00 0.00 N ATOM 76 CA GLY A 7 11.109 0.102 -5.983 1.00 0.00 C ATOM 77 C GLY A 7 12.444 0.155 -6.764 1.00 0.00 C ATOM 78 O GLY A 7 13.500 0.186 -6.133 1.00 0.00 O ATOM 0 H GLY A 7 9.203 -0.083 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.255 0.639 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.919 -0.940 -5.727 1.00 0.00 H new ATOM 82 N GLU A 8 12.410 0.179 -8.106 1.00 0.00 N ATOM 83 CA GLU A 8 13.626 0.382 -8.956 1.00 0.00 C ATOM 84 C GLU A 8 14.334 1.769 -8.832 1.00 0.00 C ATOM 85 O GLU A 8 15.562 1.846 -8.768 1.00 0.00 O ATOM 86 CB GLU A 8 13.314 -0.025 -10.425 1.00 0.00 C ATOM 87 CG GLU A 8 12.305 0.782 -11.285 1.00 0.00 C ATOM 88 CD GLU A 8 12.795 2.087 -11.911 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.855 1.901 -12.747 1.00 0.00 O ATOM 90 OE2 GLU A 8 12.284 3.182 -11.699 1.00 0.00 O ATOM 0 H GLU A 8 11.551 0.060 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 8 14.387 -0.286 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.262 -0.026 -10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.960 -1.056 -10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.955 0.134 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.441 1.012 -10.662 1.00 0.00 H new ATOM 97 N LYS A 9 13.544 2.848 -8.759 1.00 0.00 N ATOM 98 CA LYS A 9 14.034 4.211 -8.409 1.00 0.00 C ATOM 99 C LYS A 9 14.415 4.419 -6.903 1.00 0.00 C ATOM 100 O LYS A 9 15.402 5.107 -6.629 1.00 0.00 O ATOM 101 CB LYS A 9 13.065 5.286 -8.974 1.00 0.00 C ATOM 102 CG LYS A 9 11.563 5.111 -8.657 1.00 0.00 C ATOM 103 CD LYS A 9 10.734 6.372 -8.982 1.00 0.00 C ATOM 104 CE LYS A 9 9.225 6.243 -8.715 1.00 0.00 C ATOM 105 NZ LYS A 9 8.925 6.194 -7.267 1.00 0.00 N ATOM 0 H LYS A 9 12.541 2.812 -8.940 1.00 0.00 H new ATOM 0 HA LYS A 9 14.999 4.333 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.380 6.259 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.182 5.312 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.172 4.268 -9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.445 4.866 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.122 7.205 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.882 6.625 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.703 7.087 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.847 5.341 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.898 6.107 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.403 5.374 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.263 7.066 -6.813 1.00 0.00 H new ATOM 118 N VAL A 10 13.727 3.771 -5.937 1.00 0.00 N ATOM 119 CA VAL A 10 14.253 3.601 -4.539 1.00 0.00 C ATOM 120 C VAL A 10 15.604 2.788 -4.469 1.00 0.00 C ATOM 121 O VAL A 10 16.515 3.199 -3.744 1.00 0.00 O ATOM 122 CB VAL A 10 13.148 3.066 -3.562 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.645 2.943 -2.101 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.874 3.944 -3.499 1.00 0.00 C ATOM 0 H VAL A 10 12.808 3.354 -6.086 1.00 0.00 H new ATOM 0 HA VAL A 10 14.519 4.598 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 10 12.910 2.091 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.837 2.568 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.487 2.252 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.961 3.922 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.162 3.503 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.139 4.946 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.423 4.002 -4.489 1.00 0.00 H new ATOM 134 N PHE A 11 15.780 1.697 -5.247 1.00 0.00 N ATOM 135 CA PHE A 11 17.116 1.073 -5.477 1.00 0.00 C ATOM 136 C PHE A 11 18.234 1.992 -6.083 1.00 0.00 C ATOM 137 O PHE A 11 19.404 1.720 -5.816 1.00 0.00 O ATOM 138 CB PHE A 11 16.927 -0.240 -6.290 1.00 0.00 C ATOM 139 CG PHE A 11 18.159 -1.169 -6.359 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.643 -1.790 -5.203 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.810 -1.395 -7.577 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.775 -2.599 -5.260 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.931 -2.221 -7.635 1.00 0.00 C ATOM 144 CZ PHE A 11 20.418 -2.815 -6.473 1.00 0.00 C ATOM 0 H PHE A 11 15.016 1.224 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 11 17.516 0.863 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.098 -0.798 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.636 0.023 -7.307 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.136 -1.641 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.441 -0.926 -8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.154 -3.060 -4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.422 -2.400 -8.580 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.295 -3.443 -6.515 1.00 0.00 H new ATOM 154 N GLY A 12 17.930 3.081 -6.817 1.00 0.00 N ATOM 155 CA GLY A 12 18.951 4.091 -7.231 1.00 0.00 C ATOM 156 C GLY A 12 19.850 4.752 -6.147 1.00 0.00 C ATOM 157 O GLY A 12 21.028 5.005 -6.404 1.00 0.00 O ATOM 0 H GLY A 12 16.986 3.293 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.610 3.613 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.427 4.891 -7.755 1.00 0.00 H new ATOM 161 N LYS A 13 19.320 4.961 -4.932 1.00 0.00 N ATOM 162 CA LYS A 13 20.141 5.223 -3.706 1.00 0.00 C ATOM 163 C LYS A 13 21.138 4.074 -3.293 1.00 0.00 C ATOM 164 O LYS A 13 22.238 4.357 -2.811 1.00 0.00 O ATOM 165 CB LYS A 13 19.181 5.582 -2.534 1.00 0.00 C ATOM 166 CG LYS A 13 18.645 7.035 -2.451 1.00 0.00 C ATOM 167 CD LYS A 13 17.729 7.547 -3.589 1.00 0.00 C ATOM 168 CE LYS A 13 16.367 6.845 -3.741 1.00 0.00 C ATOM 169 NZ LYS A 13 15.437 7.168 -2.638 1.00 0.00 N ATOM 0 H LYS A 13 18.315 4.956 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 13 20.800 6.057 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.323 4.912 -2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.698 5.363 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.097 7.134 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 13 19.504 7.703 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.549 8.610 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.269 7.452 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.916 7.136 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.520 5.766 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.536 6.671 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.853 6.867 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.267 8.194 -2.616 1.00 0.00 H new ATOM 182 N CYS A 14 20.760 2.798 -3.481 1.00 0.00 N ATOM 183 CA CYS A 14 21.674 1.635 -3.353 1.00 0.00 C ATOM 184 C CYS A 14 22.673 1.402 -4.547 1.00 0.00 C ATOM 185 O CYS A 14 23.778 0.916 -4.297 1.00 0.00 O ATOM 186 CB CYS A 14 20.798 0.373 -3.142 1.00 0.00 C ATOM 187 SG CYS A 14 19.176 0.663 -2.373 1.00 0.00 S ATOM 0 H CYS A 14 19.806 2.536 -3.728 1.00 0.00 H new ATOM 0 HA CYS A 14 22.326 1.848 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.641 -0.105 -4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.352 -0.333 -2.524 1.00 0.00 H new ATOM 0 HG CYS A 14 18.544 -0.467 -2.255 1.00 0.00 H new ATOM 192 N LYS A 15 22.301 1.701 -5.817 1.00 0.00 N ATOM 193 CA LYS A 15 23.052 1.281 -7.048 1.00 0.00 C ATOM 194 C LYS A 15 24.580 1.589 -7.156 1.00 0.00 C ATOM 195 O LYS A 15 25.315 0.790 -7.744 1.00 0.00 O ATOM 196 CB LYS A 15 22.348 1.845 -8.322 1.00 0.00 C ATOM 197 CG LYS A 15 21.071 1.112 -8.783 1.00 0.00 C ATOM 198 CD LYS A 15 20.475 1.714 -10.073 1.00 0.00 C ATOM 199 CE LYS A 15 19.090 1.138 -10.404 1.00 0.00 C ATOM 200 NZ LYS A 15 18.551 1.775 -11.621 1.00 0.00 N ATOM 0 H LYS A 15 21.464 2.245 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 15 23.017 0.195 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.095 2.889 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 15 23.065 1.831 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.301 0.060 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.326 1.154 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.399 2.796 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.152 1.525 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.162 0.060 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.411 1.302 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.614 1.378 -11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.465 2.800 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.193 1.597 -12.419 1.00 0.00 H new ATOM 213 N ALA A 16 25.061 2.719 -6.609 1.00 0.00 N ATOM 214 CA ALA A 16 26.523 2.975 -6.468 1.00 0.00 C ATOM 215 C ALA A 16 27.315 1.940 -5.595 1.00 0.00 C ATOM 216 O ALA A 16 28.435 1.561 -5.953 1.00 0.00 O ATOM 217 CB ALA A 16 26.674 4.418 -5.949 1.00 0.00 C ATOM 0 H ALA A 16 24.470 3.472 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 16 26.986 2.846 -7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.732 4.653 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.227 5.110 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.170 4.513 -4.987 1.00 0.00 H new ATOM 223 N CYS A 17 26.716 1.463 -4.489 1.00 0.00 N ATOM 224 CA CYS A 17 27.251 0.327 -3.708 1.00 0.00 C ATOM 225 C CYS A 17 26.798 -1.094 -4.194 1.00 0.00 C ATOM 226 O CYS A 17 27.670 -1.952 -4.348 1.00 0.00 O ATOM 227 CB CYS A 17 26.897 0.575 -2.228 1.00 0.00 C ATOM 228 SG CYS A 17 27.386 2.227 -1.638 1.00 0.00 S ATOM 0 H CYS A 17 25.851 1.850 -4.111 1.00 0.00 H new ATOM 0 HA CYS A 17 28.330 0.299 -3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.822 0.452 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.384 -0.182 -1.613 1.00 0.00 H new ATOM 0 HG CYS A 17 27.053 2.358 -0.388 1.00 0.00 H new ATOM 233 N HIS A 18 25.489 -1.363 -4.393 1.00 0.00 N ATOM 234 CA HIS A 18 24.956 -2.735 -4.662 1.00 0.00 C ATOM 235 C HIS A 18 24.481 -2.901 -6.137 1.00 0.00 C ATOM 236 O HIS A 18 23.794 -2.031 -6.678 1.00 0.00 O ATOM 237 CB HIS A 18 23.740 -3.023 -3.744 1.00 0.00 C ATOM 238 CG HIS A 18 24.037 -3.224 -2.266 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.352 -4.434 -1.700 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.804 -2.284 -1.267 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.253 -4.139 -0.376 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.878 -2.859 0.008 1.00 0.00 N ATOM 0 H HIS A 18 24.766 -0.643 -4.374 1.00 0.00 H new ATOM 0 HA HIS A 18 25.772 -3.431 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.036 -2.196 -3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.236 -3.916 -4.115 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.595 -5.316 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.592 -1.241 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.464 -4.892 0.368 1.00 0.00 H new ATOM 250 N LYS A 19 24.773 -4.055 -6.763 1.00 0.00 N ATOM 251 CA LYS A 19 24.439 -4.287 -8.204 1.00 0.00 C ATOM 252 C LYS A 19 23.332 -5.359 -8.472 1.00 0.00 C ATOM 253 O LYS A 19 22.590 -5.201 -9.441 1.00 0.00 O ATOM 254 CB LYS A 19 25.736 -4.564 -9.020 1.00 0.00 C ATOM 255 CG LYS A 19 26.673 -3.347 -9.258 1.00 0.00 C ATOM 256 CD LYS A 19 27.672 -3.026 -8.124 1.00 0.00 C ATOM 257 CE LYS A 19 28.201 -1.584 -8.198 1.00 0.00 C ATOM 258 NZ LYS A 19 29.045 -1.292 -7.023 1.00 0.00 N ATOM 0 H LYS A 19 25.235 -4.843 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 19 23.983 -3.360 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.305 -5.338 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.450 -4.970 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.238 -3.523 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.054 -2.466 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.186 -3.183 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.510 -3.721 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.778 -1.447 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.367 -0.884 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.943 -0.290 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.748 -1.890 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.040 -1.490 -7.252 1.00 0.00 H new ATOM 271 N LEU A 20 23.259 -6.461 -7.694 1.00 0.00 N ATOM 272 CA LEU A 20 22.380 -7.653 -7.952 1.00 0.00 C ATOM 273 C LEU A 20 22.545 -8.482 -9.271 1.00 0.00 C ATOM 274 O LEU A 20 21.974 -9.569 -9.385 1.00 0.00 O ATOM 275 CB LEU A 20 20.921 -7.496 -7.423 1.00 0.00 C ATOM 276 CG LEU A 20 20.035 -6.350 -7.950 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.610 -6.544 -9.416 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.773 -6.203 -7.084 1.00 0.00 C ATOM 0 H LEU A 20 23.817 -6.562 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 20 22.866 -8.375 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.399 -8.431 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.977 -7.392 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 20 20.644 -5.448 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.988 -5.705 -9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.496 -6.594 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.044 -7.470 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.159 -5.389 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.203 -7.132 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.061 -5.983 -6.056 1.00 0.00 H new ATOM 290 N ASP A 21 23.402 -8.046 -10.203 1.00 0.00 N ATOM 291 CA ASP A 21 23.759 -8.817 -11.432 1.00 0.00 C ATOM 292 C ASP A 21 25.108 -9.607 -11.295 1.00 0.00 C ATOM 293 O ASP A 21 26.027 -9.442 -12.103 1.00 0.00 O ATOM 294 CB ASP A 21 23.679 -7.838 -12.642 1.00 0.00 C ATOM 295 CG ASP A 21 24.630 -6.630 -12.693 1.00 0.00 C ATOM 296 OD1 ASP A 21 25.618 -6.479 -11.977 1.00 0.00 O ATOM 297 OD2 ASP A 21 24.250 -5.731 -13.642 1.00 0.00 O ATOM 0 H ASP A 21 23.877 -7.146 -10.139 1.00 0.00 H new ATOM 0 HA ASP A 21 23.044 -9.622 -11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.841 -8.422 -13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.659 -7.455 -12.688 1.00 0.00 H new ATOM 302 N GLY A 22 25.258 -10.437 -10.241 1.00 0.00 N ATOM 303 CA GLY A 22 26.578 -11.038 -9.880 1.00 0.00 C ATOM 304 C GLY A 22 27.636 -10.133 -9.190 1.00 0.00 C ATOM 305 O GLY A 22 28.353 -10.601 -8.305 1.00 0.00 O ATOM 0 H GLY A 22 24.493 -10.710 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.388 -11.887 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.024 -11.434 -10.793 1.00 0.00 H new ATOM 309 N ASN A 23 27.770 -8.862 -9.607 1.00 0.00 N ATOM 310 CA ASN A 23 28.818 -7.939 -9.087 1.00 0.00 C ATOM 311 C ASN A 23 28.535 -7.424 -7.634 1.00 0.00 C ATOM 312 O ASN A 23 27.397 -7.327 -7.162 1.00 0.00 O ATOM 313 CB ASN A 23 29.023 -6.735 -10.047 1.00 0.00 C ATOM 314 CG ASN A 23 29.427 -7.061 -11.489 1.00 0.00 C ATOM 315 OD1 ASN A 23 30.569 -7.403 -11.772 1.00 0.00 O ATOM 316 ND2 ASN A 23 28.528 -6.970 -12.439 1.00 0.00 N ATOM 0 H ASN A 23 27.164 -8.439 -10.309 1.00 0.00 H new ATOM 0 HA ASN A 23 29.733 -8.529 -9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.096 -6.162 -10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 23 29.787 -6.086 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.782 -7.183 -13.404 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.575 -6.686 -12.213 1.00 0.00 H new ATOM 323 N ASP A 24 29.633 -7.099 -6.938 1.00 0.00 N ATOM 324 CA ASP A 24 29.596 -6.593 -5.532 1.00 0.00 C ATOM 325 C ASP A 24 30.067 -5.101 -5.510 1.00 0.00 C ATOM 326 O ASP A 24 29.227 -4.200 -5.515 1.00 0.00 O ATOM 327 CB ASP A 24 30.385 -7.562 -4.593 1.00 0.00 C ATOM 328 CG ASP A 24 29.826 -8.967 -4.333 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.471 -9.615 -5.476 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.729 -9.451 -3.209 1.00 0.00 O ATOM 0 H ASP A 24 30.576 -7.174 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 24 28.581 -6.587 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.387 -7.678 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.494 -7.068 -3.628 1.00 0.00 H new ATOM 335 N GLY A 25 31.386 -4.827 -5.519 1.00 0.00 N ATOM 336 CA GLY A 25 31.924 -3.438 -5.513 1.00 0.00 C ATOM 337 C GLY A 25 32.145 -2.874 -4.097 1.00 0.00 C ATOM 338 O GLY A 25 33.171 -3.161 -3.476 1.00 0.00 O ATOM 0 H GLY A 25 32.108 -5.548 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 25 32.870 -3.420 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 25 31.235 -2.787 -6.052 1.00 0.00 H new ATOM 342 N VAL A 26 31.173 -2.101 -3.590 1.00 0.00 N ATOM 343 CA VAL A 26 31.123 -1.721 -2.138 1.00 0.00 C ATOM 344 C VAL A 26 30.140 -2.674 -1.383 1.00 0.00 C ATOM 345 O VAL A 26 30.568 -3.358 -0.452 1.00 0.00 O ATOM 346 CB VAL A 26 30.826 -0.197 -1.886 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.883 0.198 -0.389 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.764 0.771 -2.638 1.00 0.00 C ATOM 0 H VAL A 26 30.407 -1.720 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 26 32.123 -1.856 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 26 29.813 -0.092 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.669 1.262 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.143 -0.377 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.877 -0.012 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.487 1.799 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.794 0.594 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.674 0.604 -3.711 1.00 0.00 H new ATOM 358 N GLY A 27 28.845 -2.704 -1.751 1.00 0.00 N ATOM 359 CA GLY A 27 27.861 -3.625 -1.145 1.00 0.00 C ATOM 360 C GLY A 27 27.667 -4.955 -1.926 1.00 0.00 C ATOM 361 O GLY A 27 27.636 -4.922 -3.160 1.00 0.00 O ATOM 0 H GLY A 27 28.453 -2.097 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.176 -3.857 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 27 26.900 -3.116 -1.073 1.00 0.00 H new ATOM 365 N PRO A 28 27.476 -6.139 -1.281 1.00 0.00 N ATOM 366 CA PRO A 28 27.328 -7.431 -2.004 1.00 0.00 C ATOM 367 C PRO A 28 26.013 -7.612 -2.819 1.00 0.00 C ATOM 368 O PRO A 28 24.995 -6.971 -2.548 1.00 0.00 O ATOM 369 CB PRO A 28 27.477 -8.445 -0.857 1.00 0.00 C ATOM 370 CG PRO A 28 27.014 -7.717 0.402 1.00 0.00 C ATOM 371 CD PRO A 28 27.442 -6.275 0.183 1.00 0.00 C ATOM 0 HA PRO A 28 28.060 -7.536 -2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.873 -9.334 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.511 -8.777 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.935 -7.796 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.475 -8.137 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.738 -5.576 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.418 -6.075 0.626 1.00 0.00 H new ATOM 379 N HIS A 29 26.025 -8.511 -3.819 1.00 0.00 N ATOM 380 CA HIS A 29 24.849 -8.735 -4.711 1.00 0.00 C ATOM 381 C HIS A 29 23.514 -9.109 -3.969 1.00 0.00 C ATOM 382 O HIS A 29 23.459 -10.058 -3.176 1.00 0.00 O ATOM 383 CB HIS A 29 25.221 -9.742 -5.837 1.00 0.00 C ATOM 384 CG HIS A 29 25.655 -11.163 -5.455 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.957 -11.612 -5.586 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.806 -12.220 -5.090 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.768 -12.938 -5.301 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.521 -13.397 -4.974 1.00 0.00 N ATOM 0 H HIS A 29 26.830 -9.098 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 29 24.616 -7.771 -5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.359 -9.829 -6.498 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.027 -9.298 -6.421 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.809 -11.104 -5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.743 -12.126 -4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.603 -13.622 -5.334 1.00 0.00 H new ATOM 396 N LEU A 30 22.437 -8.341 -4.211 1.00 0.00 N ATOM 397 CA LEU A 30 21.132 -8.522 -3.498 1.00 0.00 C ATOM 398 C LEU A 30 20.067 -9.413 -4.230 1.00 0.00 C ATOM 399 O LEU A 30 18.893 -9.412 -3.847 1.00 0.00 O ATOM 400 CB LEU A 30 20.576 -7.114 -3.140 1.00 0.00 C ATOM 401 CG LEU A 30 21.386 -6.221 -2.163 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.593 -4.944 -1.849 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.769 -6.896 -0.833 1.00 0.00 C ATOM 0 H LEU A 30 22.431 -7.584 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 30 21.340 -9.101 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.454 -6.560 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.581 -7.249 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 30 22.320 -6.005 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.165 -4.320 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.409 -4.394 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.641 -5.210 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.332 -6.194 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.865 -7.197 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.382 -7.775 -1.034 1.00 0.00 H new ATOM 415 N ASN A 31 20.481 -10.234 -5.216 1.00 0.00 N ATOM 416 CA ASN A 31 19.597 -11.213 -5.908 1.00 0.00 C ATOM 417 C ASN A 31 19.012 -12.300 -4.941 1.00 0.00 C ATOM 418 O ASN A 31 19.730 -13.142 -4.390 1.00 0.00 O ATOM 419 CB ASN A 31 20.285 -11.786 -7.180 1.00 0.00 C ATOM 420 CG ASN A 31 21.675 -12.432 -7.074 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.942 -13.312 -6.264 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.612 -12.029 -7.899 1.00 0.00 N ATOM 0 H ASN A 31 21.441 -10.242 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 31 18.716 -10.675 -6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.612 -12.531 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.359 -10.974 -7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.542 -12.447 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.411 -11.298 -8.581 1.00 0.00 H new ATOM 429 N GLY A 32 17.701 -12.193 -4.669 1.00 0.00 N ATOM 430 CA GLY A 32 17.020 -13.038 -3.656 1.00 0.00 C ATOM 431 C GLY A 32 17.264 -12.728 -2.161 1.00 0.00 C ATOM 432 O GLY A 32 17.072 -13.630 -1.348 1.00 0.00 O ATOM 0 H GLY A 32 17.083 -11.528 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.947 -12.976 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.314 -14.072 -3.834 1.00 0.00 H new ATOM 436 N VAL A 33 17.643 -11.492 -1.776 1.00 0.00 N ATOM 437 CA VAL A 33 17.900 -11.134 -0.340 1.00 0.00 C ATOM 438 C VAL A 33 16.666 -11.196 0.633 1.00 0.00 C ATOM 439 O VAL A 33 16.837 -11.549 1.803 1.00 0.00 O ATOM 440 CB VAL A 33 18.752 -9.825 -0.217 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.989 -8.524 -0.538 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.416 -9.677 1.173 1.00 0.00 C ATOM 0 H VAL A 33 17.781 -10.718 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 33 18.507 -11.955 0.041 1.00 0.00 H new ATOM 0 HB VAL A 33 19.516 -9.955 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.659 -7.672 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.619 -8.562 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.148 -8.417 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.994 -8.753 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.645 -9.648 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.077 -10.525 1.353 1.00 0.00 H new ATOM 452 N VAL A 34 15.442 -10.896 0.159 1.00 0.00 N ATOM 453 CA VAL A 34 14.182 -11.074 0.944 1.00 0.00 C ATOM 454 C VAL A 34 13.897 -12.609 1.107 1.00 0.00 C ATOM 455 O VAL A 34 13.515 -13.285 0.146 1.00 0.00 O ATOM 456 CB VAL A 34 12.991 -10.314 0.260 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.694 -10.379 1.100 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.244 -8.821 -0.063 1.00 0.00 C ATOM 0 H VAL A 34 15.287 -10.523 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 34 14.295 -10.640 1.937 1.00 0.00 H new ATOM 0 HB VAL A 34 12.889 -10.850 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.900 -9.839 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.398 -11.420 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.869 -9.924 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.357 -8.395 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.461 -8.281 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.092 -8.734 -0.743 1.00 0.00 H new ATOM 468 N GLY A 35 14.145 -13.152 2.309 1.00 0.00 N ATOM 469 CA GLY A 35 14.244 -14.627 2.513 1.00 0.00 C ATOM 470 C GLY A 35 15.649 -15.279 2.655 1.00 0.00 C ATOM 471 O GLY A 35 15.701 -16.447 3.048 1.00 0.00 O ATOM 0 H GLY A 35 14.282 -12.604 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.675 -14.873 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.741 -15.109 1.674 1.00 0.00 H new ATOM 475 N ARG A 36 16.760 -14.574 2.385 1.00 0.00 N ATOM 476 CA ARG A 36 18.149 -15.111 2.524 1.00 0.00 C ATOM 477 C ARG A 36 18.755 -14.839 3.939 1.00 0.00 C ATOM 478 O ARG A 36 18.315 -13.920 4.638 1.00 0.00 O ATOM 479 CB ARG A 36 18.949 -14.395 1.399 1.00 0.00 C ATOM 480 CG ARG A 36 20.361 -14.920 1.044 1.00 0.00 C ATOM 481 CD ARG A 36 20.943 -14.286 -0.241 1.00 0.00 C ATOM 482 NE ARG A 36 21.441 -12.899 -0.016 1.00 0.00 N ATOM 483 CZ ARG A 36 21.953 -12.112 -0.963 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.869 -12.351 -2.249 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.576 -11.031 -0.601 1.00 0.00 N ATOM 0 H ARG A 36 16.733 -13.607 2.061 1.00 0.00 H new ATOM 0 HA ARG A 36 18.178 -16.196 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.346 -14.428 0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.047 -13.346 1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.035 -14.721 1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.318 -16.002 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.759 -14.906 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.176 -14.272 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 36 21.386 -12.525 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.387 -13.186 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.286 -11.702 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.665 -10.801 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.976 -10.413 -1.306 1.00 0.00 H new ATOM 499 N THR A 37 19.803 -15.583 4.359 1.00 0.00 N ATOM 500 CA THR A 37 20.537 -15.283 5.632 1.00 0.00 C ATOM 501 C THR A 37 21.113 -13.827 5.707 1.00 0.00 C ATOM 502 O THR A 37 21.517 -13.222 4.704 1.00 0.00 O ATOM 503 CB THR A 37 21.633 -16.344 5.969 1.00 0.00 C ATOM 504 OG1 THR A 37 22.098 -16.173 7.304 1.00 0.00 O ATOM 505 CG2 THR A 37 22.897 -16.255 5.112 1.00 0.00 C ATOM 0 H THR A 37 20.165 -16.389 3.849 1.00 0.00 H new ATOM 0 HA THR A 37 19.771 -15.349 6.405 1.00 0.00 H new ATOM 0 HB THR A 37 21.132 -17.295 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.705 -15.405 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.600 -17.030 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.636 -16.396 4.063 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.357 -15.276 5.243 1.00 0.00 H new ATOM 513 N VAL A 38 21.270 -13.336 6.940 1.00 0.00 N ATOM 514 CA VAL A 38 22.199 -12.215 7.241 1.00 0.00 C ATOM 515 C VAL A 38 23.680 -12.728 7.141 1.00 0.00 C ATOM 516 O VAL A 38 23.995 -13.870 7.503 1.00 0.00 O ATOM 517 CB VAL A 38 21.835 -11.539 8.607 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.626 -10.232 8.851 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.323 -11.259 8.787 1.00 0.00 C ATOM 0 H VAL A 38 20.770 -13.690 7.755 1.00 0.00 H new ATOM 0 HA VAL A 38 22.094 -11.422 6.501 1.00 0.00 H new ATOM 0 HB VAL A 38 22.125 -12.280 9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.336 -9.805 9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.694 -10.449 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.406 -9.520 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.153 -10.791 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.980 -10.592 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.771 -12.197 8.735 1.00 0.00 H new ATOM 529 N ALA A 39 24.543 -11.901 6.521 1.00 0.00 N ATOM 530 CA ALA A 39 25.833 -12.344 5.912 1.00 0.00 C ATOM 531 C ALA A 39 25.756 -13.353 4.703 1.00 0.00 C ATOM 532 O ALA A 39 26.623 -14.219 4.546 1.00 0.00 O ATOM 533 CB ALA A 39 26.845 -12.726 7.012 1.00 0.00 C ATOM 0 H ALA A 39 24.373 -10.900 6.423 1.00 0.00 H new ATOM 0 HA ALA A 39 26.213 -11.468 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.779 -13.046 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.032 -11.862 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.439 -13.540 7.613 1.00 0.00 H new ATOM 581 N PHE A 44 32.045 -12.255 -0.211 1.00 0.00 N ATOM 582 CA PHE A 44 32.199 -10.919 0.423 1.00 0.00 C ATOM 583 C PHE A 44 32.635 -11.025 1.926 1.00 0.00 C ATOM 584 O PHE A 44 32.073 -11.804 2.705 1.00 0.00 O ATOM 585 CB PHE A 44 30.858 -10.152 0.235 1.00 0.00 C ATOM 586 CG PHE A 44 30.899 -8.673 0.665 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.328 -7.687 -0.229 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.563 -8.311 1.974 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.444 -6.363 0.191 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.688 -6.991 2.396 1.00 0.00 C ATOM 591 CZ PHE A 44 31.129 -6.017 1.504 1.00 0.00 C ATOM 0 HA PHE A 44 33.004 -10.364 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.569 -10.204 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.081 -10.661 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.570 -7.952 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.204 -9.062 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.778 -5.605 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.444 -6.723 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.227 -4.992 1.830 1.00 0.00 H new ATOM 601 N ASN A 45 33.600 -10.183 2.338 1.00 0.00 N ATOM 602 CA ASN A 45 34.018 -10.073 3.762 1.00 0.00 C ATOM 603 C ASN A 45 33.027 -9.175 4.579 1.00 0.00 C ATOM 604 O ASN A 45 33.168 -7.950 4.632 1.00 0.00 O ATOM 605 CB ASN A 45 35.486 -9.560 3.774 1.00 0.00 C ATOM 606 CG ASN A 45 36.186 -9.645 5.135 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.854 -10.620 5.458 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.056 -8.649 5.978 1.00 0.00 N ATOM 0 H ASN A 45 34.111 -9.564 1.709 1.00 0.00 H new ATOM 0 HA ASN A 45 33.982 -11.041 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.062 -10.134 3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.496 -8.522 3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.508 -8.691 6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.502 -7.832 5.721 1.00 0.00 H new ATOM 615 N TYR A 46 32.048 -9.808 5.243 1.00 0.00 N ATOM 616 CA TYR A 46 31.106 -9.106 6.162 1.00 0.00 C ATOM 617 C TYR A 46 31.732 -8.837 7.577 1.00 0.00 C ATOM 618 O TYR A 46 32.693 -9.496 7.991 1.00 0.00 O ATOM 619 CB TYR A 46 29.800 -9.947 6.286 1.00 0.00 C ATOM 620 CG TYR A 46 28.925 -10.106 5.027 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.907 -9.188 4.748 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.095 -11.211 4.187 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.050 -9.391 3.671 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.251 -11.399 3.096 1.00 0.00 C ATOM 625 CZ TYR A 46 27.216 -10.501 2.850 1.00 0.00 C ATOM 626 OH TYR A 46 26.327 -10.729 1.833 1.00 0.00 O ATOM 0 H TYR A 46 31.878 -10.811 5.167 1.00 0.00 H new ATOM 0 HA TYR A 46 30.882 -8.128 5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.075 -10.944 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.185 -9.498 7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.785 -8.316 5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.884 -11.921 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.256 -8.687 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.399 -12.243 2.439 1.00 0.00 H new ATOM 0 HH TYR A 46 26.582 -11.544 1.352 1.00 0.00 H new ATOM 636 N SER A 47 31.164 -7.889 8.352 1.00 0.00 N ATOM 637 CA SER A 47 31.611 -7.633 9.753 1.00 0.00 C ATOM 638 C SER A 47 31.290 -8.787 10.769 1.00 0.00 C ATOM 639 O SER A 47 30.402 -9.620 10.550 1.00 0.00 O ATOM 640 CB SER A 47 31.073 -6.248 10.203 1.00 0.00 C ATOM 641 OG SER A 47 29.660 -6.227 10.424 1.00 0.00 O ATOM 0 H SER A 47 30.400 -7.288 8.042 1.00 0.00 H new ATOM 0 HA SER A 47 32.701 -7.615 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.580 -5.951 11.121 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.325 -5.506 9.445 1.00 0.00 H new ATOM 0 HG SER A 47 29.432 -5.475 11.009 1.00 0.00 H new ATOM 647 N ASP A 48 32.010 -8.823 11.910 1.00 0.00 N ATOM 648 CA ASP A 48 31.765 -9.818 13.001 1.00 0.00 C ATOM 649 C ASP A 48 30.296 -9.881 13.572 1.00 0.00 C ATOM 650 O ASP A 48 29.756 -10.991 13.587 1.00 0.00 O ATOM 651 CB ASP A 48 32.818 -9.617 14.129 1.00 0.00 C ATOM 652 CG ASP A 48 33.246 -10.915 14.810 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.436 -11.243 15.854 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.205 -11.589 14.453 1.00 0.00 O ATOM 0 H ASP A 48 32.772 -8.175 12.110 1.00 0.00 H new ATOM 0 HA ASP A 48 31.883 -10.797 12.536 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.698 -9.130 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.408 -8.942 14.880 1.00 0.00 H new ATOM 659 N PRO A 49 29.599 -8.781 14.001 1.00 0.00 N ATOM 660 CA PRO A 49 28.155 -8.839 14.372 1.00 0.00 C ATOM 661 C PRO A 49 27.129 -9.085 13.209 1.00 0.00 C ATOM 662 O PRO A 49 26.042 -9.609 13.461 1.00 0.00 O ATOM 663 CB PRO A 49 27.982 -7.506 15.120 1.00 0.00 C ATOM 664 CG PRO A 49 28.975 -6.548 14.463 1.00 0.00 C ATOM 665 CD PRO A 49 30.142 -7.407 13.997 1.00 0.00 C ATOM 0 HA PRO A 49 27.917 -9.722 14.965 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.961 -7.135 15.033 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.190 -7.621 16.184 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.516 -6.025 13.624 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.308 -5.787 15.169 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.481 -7.115 13.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.998 -7.314 14.666 1.00 0.00 H new ATOM 673 N MET A 50 27.482 -8.775 11.946 1.00 0.00 N ATOM 674 CA MET A 50 26.767 -9.291 10.746 1.00 0.00 C ATOM 675 C MET A 50 26.835 -10.849 10.560 1.00 0.00 C ATOM 676 O MET A 50 25.788 -11.486 10.405 1.00 0.00 O ATOM 677 CB MET A 50 27.323 -8.489 9.540 1.00 0.00 C ATOM 678 CG MET A 50 26.546 -8.660 8.231 1.00 0.00 C ATOM 679 SD MET A 50 24.877 -8.022 8.432 1.00 0.00 S ATOM 680 CE MET A 50 24.728 -6.982 6.978 1.00 0.00 C ATOM 0 H MET A 50 28.267 -8.163 11.722 1.00 0.00 H new ATOM 0 HA MET A 50 25.694 -9.135 10.855 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.335 -7.431 9.802 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.358 -8.787 9.372 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.053 -8.132 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.512 -9.713 7.951 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.684 -6.935 6.670 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.083 -5.978 7.211 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.326 -7.400 6.169 1.00 0.00 H new ATOM 690 N LYS A 51 28.036 -11.461 10.621 1.00 0.00 N ATOM 691 CA LYS A 51 28.196 -12.944 10.718 1.00 0.00 C ATOM 692 C LYS A 51 27.554 -13.608 11.985 1.00 0.00 C ATOM 693 O LYS A 51 26.885 -14.635 11.845 1.00 0.00 O ATOM 694 CB LYS A 51 29.708 -13.302 10.593 1.00 0.00 C ATOM 695 CG LYS A 51 30.344 -13.169 9.187 1.00 0.00 C ATOM 696 CD LYS A 51 29.958 -14.310 8.221 1.00 0.00 C ATOM 697 CE LYS A 51 30.578 -14.138 6.825 1.00 0.00 C ATOM 698 NZ LYS A 51 30.052 -15.156 5.895 1.00 0.00 N ATOM 0 H LYS A 51 28.921 -10.954 10.605 1.00 0.00 H new ATOM 0 HA LYS A 51 27.629 -13.368 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.266 -12.665 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.843 -14.330 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.042 -12.217 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 51 31.429 -13.143 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 51 30.280 -15.262 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.873 -14.352 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.358 -13.141 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.663 -14.222 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 30.482 -15.025 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 30.284 -16.105 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 29.019 -15.057 5.820 1.00 0.00 H new ATOM 711 N ALA A 52 27.714 -13.029 13.193 1.00 0.00 N ATOM 712 CA ALA A 52 26.996 -13.493 14.415 1.00 0.00 C ATOM 713 C ALA A 52 25.434 -13.344 14.464 1.00 0.00 C ATOM 714 O ALA A 52 24.799 -14.068 15.235 1.00 0.00 O ATOM 715 CB ALA A 52 27.666 -12.804 15.617 1.00 0.00 C ATOM 0 H ALA A 52 28.335 -12.236 13.356 1.00 0.00 H new ATOM 0 HA ALA A 52 27.095 -14.578 14.424 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.171 -13.115 16.537 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.718 -13.086 15.658 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.584 -11.723 15.509 1.00 0.00 H new ATOM 721 N HIS A 53 24.802 -12.479 13.640 1.00 0.00 N ATOM 722 CA HIS A 53 23.331 -12.526 13.385 1.00 0.00 C ATOM 723 C HIS A 53 22.887 -13.853 12.671 1.00 0.00 C ATOM 724 O HIS A 53 22.114 -14.617 13.255 1.00 0.00 O ATOM 725 CB HIS A 53 22.907 -11.212 12.657 1.00 0.00 C ATOM 726 CG HIS A 53 21.401 -10.888 12.589 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.393 -11.794 12.269 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.853 -9.598 12.739 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.311 -10.951 12.277 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.485 -9.620 12.540 1.00 0.00 N ATOM 0 H HIS A 53 25.283 -11.735 13.135 1.00 0.00 H new ATOM 0 HA HIS A 53 22.789 -12.562 14.330 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.408 -10.378 13.149 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.288 -11.255 11.637 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.424 -8.713 12.977 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.323 -11.338 12.076 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.803 -8.863 12.578 1.00 0.00 H new ATOM 738 N GLY A 54 23.354 -14.127 11.433 1.00 0.00 N ATOM 739 CA GLY A 54 22.921 -15.325 10.660 1.00 0.00 C ATOM 740 C GLY A 54 21.425 -15.309 10.272 1.00 0.00 C ATOM 741 O GLY A 54 20.969 -14.377 9.613 1.00 0.00 O ATOM 0 H GLY A 54 24.029 -13.540 10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.521 -15.397 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.125 -16.219 11.249 1.00 0.00 H new ATOM 745 N GLY A 55 20.647 -16.313 10.699 1.00 0.00 N ATOM 746 CA GLY A 55 19.160 -16.211 10.732 1.00 0.00 C ATOM 747 C GLY A 55 18.465 -15.957 9.378 1.00 0.00 C ATOM 748 O GLY A 55 18.532 -16.816 8.497 1.00 0.00 O ATOM 0 H GLY A 55 21.010 -17.208 11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.762 -17.134 11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.887 -15.406 11.414 1.00 0.00 H new ATOM 752 N ASP A 56 17.819 -14.785 9.208 1.00 0.00 N ATOM 753 CA ASP A 56 17.249 -14.380 7.892 1.00 0.00 C ATOM 754 C ASP A 56 16.903 -12.867 7.755 1.00 0.00 C ATOM 755 O ASP A 56 16.519 -12.186 8.712 1.00 0.00 O ATOM 756 CB ASP A 56 15.998 -15.248 7.537 1.00 0.00 C ATOM 757 CG ASP A 56 16.115 -16.061 6.251 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.120 -16.672 5.904 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.971 -16.035 5.521 1.00 0.00 O ATOM 0 H ASP A 56 17.676 -14.104 9.953 1.00 0.00 H new ATOM 0 HA ASP A 56 18.053 -14.561 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.804 -15.931 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.132 -14.592 7.455 1.00 0.00 H new ATOM 764 N TRP A 57 16.926 -12.395 6.497 1.00 0.00 N ATOM 765 CA TRP A 57 16.318 -11.101 6.095 1.00 0.00 C ATOM 766 C TRP A 57 14.836 -11.264 5.638 1.00 0.00 C ATOM 767 O TRP A 57 14.526 -11.375 4.448 1.00 0.00 O ATOM 768 CB TRP A 57 17.204 -10.403 5.019 1.00 0.00 C ATOM 769 CG TRP A 57 18.431 -9.636 5.532 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.743 -9.797 5.039 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.534 -8.732 6.585 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.671 -9.036 5.783 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.904 -8.424 6.757 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.568 -8.225 7.501 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.329 -7.721 7.906 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.012 -7.518 8.613 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.374 -7.294 8.828 1.00 0.00 C ATOM 0 H TRP A 57 17.365 -12.895 5.724 1.00 0.00 H new ATOM 0 HA TRP A 57 16.284 -10.452 6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.546 -11.162 4.315 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.577 -9.708 4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.005 -10.423 4.199 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.677 -8.956 5.636 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.513 -8.386 7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.377 -7.517 8.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.292 -7.136 9.322 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.693 -6.781 9.724 1.00 0.00 H new ATOM 788 N THR A 58 13.911 -11.216 6.607 1.00 0.00 N ATOM 789 CA THR A 58 12.440 -11.205 6.346 1.00 0.00 C ATOM 790 C THR A 58 11.911 -9.838 5.764 1.00 0.00 C ATOM 791 O THR A 58 12.546 -8.801 6.014 1.00 0.00 O ATOM 792 CB THR A 58 11.672 -11.571 7.663 1.00 0.00 C ATOM 793 OG1 THR A 58 11.966 -10.662 8.720 1.00 0.00 O ATOM 794 CG2 THR A 58 11.927 -12.989 8.203 1.00 0.00 C ATOM 0 H THR A 58 14.148 -11.183 7.599 1.00 0.00 H new ATOM 0 HA THR A 58 12.250 -11.952 5.575 1.00 0.00 H new ATOM 0 HB THR A 58 10.628 -11.510 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.468 -10.922 9.523 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.349 -13.140 9.115 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.625 -13.723 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.988 -13.110 8.421 1.00 0.00 H new ATOM 802 N PRO A 59 10.730 -9.743 5.067 1.00 0.00 N ATOM 803 CA PRO A 59 10.102 -8.427 4.698 1.00 0.00 C ATOM 804 C PRO A 59 9.490 -7.578 5.882 1.00 0.00 C ATOM 805 O PRO A 59 8.356 -7.097 5.847 1.00 0.00 O ATOM 806 CB PRO A 59 9.071 -8.896 3.647 1.00 0.00 C ATOM 807 CG PRO A 59 8.661 -10.304 4.074 1.00 0.00 C ATOM 808 CD PRO A 59 9.959 -10.916 4.597 1.00 0.00 C ATOM 0 HA PRO A 59 10.828 -7.697 4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.210 -8.229 3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.505 -8.900 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.890 -10.280 4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.258 -10.875 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.772 -11.623 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.490 -11.458 3.815 1.00 0.00 H new ATOM 816 N GLU A 60 10.304 -7.390 6.926 1.00 0.00 N ATOM 817 CA GLU A 60 9.905 -6.884 8.269 1.00 0.00 C ATOM 818 C GLU A 60 11.217 -6.536 9.054 1.00 0.00 C ATOM 819 O GLU A 60 11.425 -5.366 9.387 1.00 0.00 O ATOM 820 CB GLU A 60 8.974 -7.889 9.012 1.00 0.00 C ATOM 821 CG GLU A 60 8.362 -7.346 10.327 1.00 0.00 C ATOM 822 CD GLU A 60 7.450 -8.347 11.032 1.00 0.00 C ATOM 823 OE1 GLU A 60 8.151 -9.209 11.827 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.231 -8.367 10.893 1.00 0.00 O ATOM 0 H GLU A 60 11.302 -7.591 6.869 1.00 0.00 H new ATOM 0 HA GLU A 60 9.303 -5.979 8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.165 -8.178 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.541 -8.793 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.168 -7.062 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.795 -6.441 10.108 1.00 0.00 H new ATOM 831 N ALA A 61 12.145 -7.504 9.270 1.00 0.00 N ATOM 832 CA ALA A 61 13.563 -7.204 9.619 1.00 0.00 C ATOM 833 C ALA A 61 14.322 -6.253 8.631 1.00 0.00 C ATOM 834 O ALA A 61 14.941 -5.291 9.093 1.00 0.00 O ATOM 835 CB ALA A 61 14.289 -8.551 9.812 1.00 0.00 C ATOM 0 H ALA A 61 11.938 -8.501 9.209 1.00 0.00 H new ATOM 0 HA ALA A 61 13.558 -6.621 10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.332 -8.368 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.810 -9.111 10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.239 -9.127 8.888 1.00 0.00 H new ATOM 841 N LEU A 62 14.202 -6.439 7.296 1.00 0.00 N ATOM 842 CA LEU A 62 14.578 -5.391 6.297 1.00 0.00 C ATOM 843 C LEU A 62 13.821 -4.024 6.410 1.00 0.00 C ATOM 844 O LEU A 62 14.437 -2.995 6.149 1.00 0.00 O ATOM 845 CB LEU A 62 14.432 -5.918 4.845 1.00 0.00 C ATOM 846 CG LEU A 62 15.345 -7.084 4.392 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.862 -7.646 3.049 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.803 -6.615 4.244 1.00 0.00 C ATOM 0 H LEU A 62 13.849 -7.300 6.879 1.00 0.00 H new ATOM 0 HA LEU A 62 15.619 -5.180 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.398 -6.233 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.602 -5.080 4.169 1.00 0.00 H new ATOM 0 HG LEU A 62 15.297 -7.861 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.513 -8.465 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.841 -8.013 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.888 -6.860 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.424 -7.452 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.856 -5.820 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.164 -6.240 5.202 1.00 0.00 H new ATOM 860 N GLN A 63 12.528 -3.971 6.784 1.00 0.00 N ATOM 861 CA GLN A 63 11.810 -2.673 6.999 1.00 0.00 C ATOM 862 C GLN A 63 12.271 -1.800 8.217 1.00 0.00 C ATOM 863 O GLN A 63 12.139 -0.572 8.155 1.00 0.00 O ATOM 864 CB GLN A 63 10.271 -2.883 7.033 1.00 0.00 C ATOM 865 CG GLN A 63 9.637 -3.362 5.702 1.00 0.00 C ATOM 866 CD GLN A 63 8.113 -3.225 5.598 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.471 -2.390 6.226 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.484 -4.004 4.754 1.00 0.00 N ATOM 0 H GLN A 63 11.952 -4.797 6.946 1.00 0.00 H new ATOM 0 HA GLN A 63 12.099 -2.083 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.038 -3.611 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.799 -1.944 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.089 -2.801 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.899 -4.410 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.002 -4.704 4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.476 -3.911 4.628 1.00 0.00 H new ATOM 877 N GLU A 64 12.813 -2.402 9.289 1.00 0.00 N ATOM 878 CA GLU A 64 13.615 -1.664 10.307 1.00 0.00 C ATOM 879 C GLU A 64 15.117 -1.476 9.900 1.00 0.00 C ATOM 880 O GLU A 64 15.614 -0.350 9.979 1.00 0.00 O ATOM 881 CB GLU A 64 13.401 -2.338 11.690 1.00 0.00 C ATOM 882 CG GLU A 64 13.959 -1.565 12.916 1.00 0.00 C ATOM 883 CD GLU A 64 13.318 -0.203 13.189 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.183 -0.056 13.629 1.00 0.00 O ATOM 885 OE2 GLU A 64 14.149 0.833 12.885 1.00 0.00 O ATOM 0 H GLU A 64 12.716 -3.399 9.482 1.00 0.00 H new ATOM 0 HA GLU A 64 13.256 -0.637 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.332 -2.490 11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.863 -3.325 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.836 -2.188 13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.030 -1.420 12.774 1.00 0.00 H new ATOM 892 N PHE A 65 15.834 -2.522 9.433 1.00 0.00 N ATOM 893 CA PHE A 65 17.235 -2.397 8.920 1.00 0.00 C ATOM 894 C PHE A 65 17.447 -1.396 7.745 1.00 0.00 C ATOM 895 O PHE A 65 18.422 -0.651 7.774 1.00 0.00 O ATOM 896 CB PHE A 65 17.732 -3.821 8.572 1.00 0.00 C ATOM 897 CG PHE A 65 19.171 -3.979 8.043 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.270 -3.922 8.908 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.373 -4.331 6.704 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.539 -4.272 8.455 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.640 -4.693 6.260 1.00 0.00 C ATOM 902 CZ PHE A 65 21.715 -4.695 7.142 1.00 0.00 C ATOM 0 H PHE A 65 15.470 -3.474 9.397 1.00 0.00 H new ATOM 0 HA PHE A 65 17.832 -1.947 9.713 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.637 -4.435 9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.055 -4.237 7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.133 -3.605 9.931 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.543 -4.322 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.386 -4.215 9.123 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.789 -4.973 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.687 -5.025 6.807 1.00 0.00 H new ATOM 912 N LEU A 66 16.564 -1.319 6.740 1.00 0.00 N ATOM 913 CA LEU A 66 16.628 -0.227 5.723 1.00 0.00 C ATOM 914 C LEU A 66 16.277 1.224 6.189 1.00 0.00 C ATOM 915 O LEU A 66 16.528 2.154 5.425 1.00 0.00 O ATOM 916 CB LEU A 66 15.821 -0.665 4.473 1.00 0.00 C ATOM 917 CG LEU A 66 16.347 -1.926 3.729 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.460 -2.219 2.515 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.819 -1.791 3.302 1.00 0.00 C ATOM 0 H LEU A 66 15.803 -1.983 6.598 1.00 0.00 H new ATOM 0 HA LEU A 66 17.687 -0.112 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.791 -0.850 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.801 0.166 3.768 1.00 0.00 H new ATOM 0 HG LEU A 66 16.300 -2.761 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.832 -3.103 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.437 -2.397 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.479 -1.366 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.133 -2.699 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.927 -0.938 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.441 -1.640 4.184 1.00 0.00 H new ATOM 931 N THR A 67 15.772 1.444 7.413 1.00 0.00 N ATOM 932 CA THR A 67 15.653 2.798 8.042 1.00 0.00 C ATOM 933 C THR A 67 16.724 3.087 9.146 1.00 0.00 C ATOM 934 O THR A 67 17.191 4.222 9.243 1.00 0.00 O ATOM 935 CB THR A 67 14.177 2.989 8.484 1.00 0.00 C ATOM 936 OG1 THR A 67 13.376 3.022 7.315 1.00 0.00 O ATOM 937 CG2 THR A 67 13.831 4.287 9.222 1.00 0.00 C ATOM 0 H THR A 67 15.428 0.692 8.010 1.00 0.00 H new ATOM 0 HA THR A 67 15.894 3.566 7.307 1.00 0.00 H new ATOM 0 HB THR A 67 14.001 2.166 9.176 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.070 3.939 7.154 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.770 4.291 9.472 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.420 4.354 10.137 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.056 5.140 8.582 1.00 0.00 H new ATOM 945 N ASN A 68 17.114 2.112 9.981 1.00 0.00 N ATOM 946 CA ASN A 68 18.244 2.237 10.936 1.00 0.00 C ATOM 947 C ASN A 68 19.137 0.943 10.797 1.00 0.00 C ATOM 948 O ASN A 68 18.991 0.025 11.614 1.00 0.00 O ATOM 949 CB ASN A 68 17.663 2.505 12.356 1.00 0.00 C ATOM 950 CG ASN A 68 17.466 3.949 12.837 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.827 4.296 13.955 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.887 4.839 12.073 1.00 0.00 N ATOM 0 H ASN A 68 16.654 1.202 10.019 1.00 0.00 H new ATOM 0 HA ASN A 68 18.900 3.082 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.694 2.009 12.410 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.316 2.009 13.074 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.748 5.790 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.575 4.582 11.137 1.00 0.00 H new ATOM 959 N PRO A 69 20.088 0.829 9.811 1.00 0.00 N ATOM 960 CA PRO A 69 20.981 -0.360 9.651 1.00 0.00 C ATOM 961 C PRO A 69 21.811 -0.792 10.893 1.00 0.00 C ATOM 962 O PRO A 69 21.818 -1.964 11.280 1.00 0.00 O ATOM 963 CB PRO A 69 21.864 0.025 8.435 1.00 0.00 C ATOM 964 CG PRO A 69 21.073 1.068 7.643 1.00 0.00 C ATOM 965 CD PRO A 69 20.183 1.756 8.671 1.00 0.00 C ATOM 0 HA PRO A 69 20.385 -1.261 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.822 0.430 8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.081 -0.848 7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.738 1.782 7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.479 0.600 6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.609 2.711 8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.197 1.966 8.256 1.00 0.00 H new ATOM 973 N LYS A 70 22.446 0.198 11.533 1.00 0.00 N ATOM 974 CA LYS A 70 23.170 0.014 12.823 1.00 0.00 C ATOM 975 C LYS A 70 22.307 -0.265 14.099 1.00 0.00 C ATOM 976 O LYS A 70 22.854 -0.753 15.086 1.00 0.00 O ATOM 977 CB LYS A 70 24.116 1.224 13.061 1.00 0.00 C ATOM 978 CG LYS A 70 25.202 1.370 11.978 1.00 0.00 C ATOM 979 CD LYS A 70 26.394 2.260 12.367 1.00 0.00 C ATOM 980 CE LYS A 70 27.454 2.292 11.255 1.00 0.00 C ATOM 981 NZ LYS A 70 28.576 3.165 11.648 1.00 0.00 N ATOM 0 H LYS A 70 22.480 1.155 11.181 1.00 0.00 H new ATOM 0 HA LYS A 70 23.721 -0.917 12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.523 2.138 13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.595 1.116 14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.576 0.378 11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.743 1.777 11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.044 3.273 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.842 1.889 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.819 1.283 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.009 2.654 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.287 3.179 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.224 4.130 11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 29.009 2.802 12.521 1.00 0.00 H new ATOM 994 N ALA A 71 20.991 0.008 14.104 1.00 0.00 N ATOM 995 CA ALA A 71 20.073 -0.485 15.171 1.00 0.00 C ATOM 996 C ALA A 71 19.754 -2.018 15.127 1.00 0.00 C ATOM 997 O ALA A 71 19.769 -2.669 16.174 1.00 0.00 O ATOM 998 CB ALA A 71 18.795 0.370 15.117 1.00 0.00 C ATOM 0 H ALA A 71 20.530 0.566 13.386 1.00 0.00 H new ATOM 0 HA ALA A 71 20.586 -0.372 16.126 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.100 0.035 15.887 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.049 1.416 15.289 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.329 0.266 14.137 1.00 0.00 H new ATOM 1004 N VAL A 72 19.480 -2.593 13.938 1.00 0.00 N ATOM 1005 CA VAL A 72 19.281 -4.067 13.767 1.00 0.00 C ATOM 1006 C VAL A 72 20.642 -4.857 13.779 1.00 0.00 C ATOM 1007 O VAL A 72 20.747 -5.849 14.506 1.00 0.00 O ATOM 1008 CB VAL A 72 18.368 -4.337 12.517 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.197 -5.832 12.172 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.940 -3.753 12.635 1.00 0.00 C ATOM 0 H VAL A 72 19.389 -2.064 13.071 1.00 0.00 H new ATOM 0 HA VAL A 72 18.747 -4.465 14.630 1.00 0.00 H new ATOM 0 HB VAL A 72 18.919 -3.826 11.727 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.554 -5.932 11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.172 -6.270 11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.745 -6.351 13.017 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.377 -3.984 11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.438 -4.191 13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.998 -2.672 12.760 1.00 0.00 H new ATOM 1020 N VAL A 73 21.660 -4.452 12.991 1.00 0.00 N ATOM 1021 CA VAL A 73 23.030 -5.053 13.064 1.00 0.00 C ATOM 1022 C VAL A 73 23.979 -3.970 13.671 1.00 0.00 C ATOM 1023 O VAL A 73 24.512 -3.123 12.945 1.00 0.00 O ATOM 1024 CB VAL A 73 23.515 -5.566 11.664 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.941 -6.167 11.691 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.611 -6.631 11.004 1.00 0.00 C ATOM 0 H VAL A 73 21.570 -3.713 12.294 1.00 0.00 H new ATOM 0 HA VAL A 73 23.028 -5.937 13.702 1.00 0.00 H new ATOM 0 HB VAL A 73 23.482 -4.650 11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.214 -6.502 10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.649 -5.409 12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.966 -7.014 12.377 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.032 -6.920 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.549 -7.507 11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.613 -6.219 10.854 1.00 0.00 H new ATOM 1036 N LYS A 74 24.231 -4.018 14.993 1.00 0.00 N ATOM 1037 CA LYS A 74 25.143 -3.052 15.673 1.00 0.00 C ATOM 1038 C LYS A 74 26.637 -3.337 15.325 1.00 0.00 C ATOM 1039 O LYS A 74 27.224 -4.331 15.758 1.00 0.00 O ATOM 1040 CB LYS A 74 24.902 -3.089 17.205 1.00 0.00 C ATOM 1041 CG LYS A 74 23.562 -2.480 17.675 1.00 0.00 C ATOM 1042 CD LYS A 74 23.403 -2.552 19.200 1.00 0.00 C ATOM 1043 CE LYS A 74 22.059 -1.971 19.665 1.00 0.00 C ATOM 1044 NZ LYS A 74 21.952 -2.064 21.134 1.00 0.00 N ATOM 0 H LYS A 74 23.821 -4.711 15.619 1.00 0.00 H new ATOM 0 HA LYS A 74 24.919 -2.049 15.310 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.949 -4.125 17.539 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.717 -2.558 17.698 1.00 0.00 H new ATOM 0 HG2 LYS A 74 23.503 -1.440 17.353 1.00 0.00 H new ATOM 0 HG3 LYS A 74 22.736 -3.009 17.199 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.481 -3.590 19.524 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.218 -2.007 19.676 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.975 -0.931 19.351 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.237 -2.513 19.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.040 -1.669 21.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.013 -3.061 21.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.727 -1.528 21.573 1.00 0.00 H new ATOM 1057 N GLY A 75 27.214 -2.464 14.491 1.00 0.00 N ATOM 1058 CA GLY A 75 28.475 -2.762 13.756 1.00 0.00 C ATOM 1059 C GLY A 75 28.346 -3.416 12.354 1.00 0.00 C ATOM 1060 O GLY A 75 29.174 -4.258 11.988 1.00 0.00 O ATOM 0 H GLY A 75 26.834 -1.537 14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.028 -1.829 13.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.082 -3.419 14.380 1.00 0.00 H new ATOM 1064 N THR A 76 27.380 -2.982 11.526 1.00 0.00 N ATOM 1065 CA THR A 76 27.381 -3.242 10.067 1.00 0.00 C ATOM 1066 C THR A 76 28.380 -2.272 9.368 1.00 0.00 C ATOM 1067 O THR A 76 28.296 -1.051 9.548 1.00 0.00 O ATOM 1068 CB THR A 76 25.921 -3.149 9.519 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.879 -3.637 8.186 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.205 -1.791 9.494 1.00 0.00 C ATOM 0 H THR A 76 26.576 -2.441 11.844 1.00 0.00 H new ATOM 0 HA THR A 76 27.727 -4.252 9.849 1.00 0.00 H new ATOM 0 HB THR A 76 25.383 -3.740 10.260 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.962 -3.579 7.845 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.203 -1.915 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.135 -1.398 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.768 -1.094 8.873 1.00 0.00 H new ATOM 1078 N LYS A 77 29.279 -2.782 8.508 1.00 0.00 N ATOM 1079 CA LYS A 77 30.037 -1.904 7.555 1.00 0.00 C ATOM 1080 C LYS A 77 29.215 -1.315 6.342 1.00 0.00 C ATOM 1081 O LYS A 77 29.797 -0.895 5.339 1.00 0.00 O ATOM 1082 CB LYS A 77 31.380 -2.593 7.173 1.00 0.00 C ATOM 1083 CG LYS A 77 31.317 -3.929 6.391 1.00 0.00 C ATOM 1084 CD LYS A 77 32.674 -4.448 5.872 1.00 0.00 C ATOM 1085 CE LYS A 77 33.631 -4.936 6.975 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.896 -5.403 6.376 1.00 0.00 N ATOM 0 H LYS A 77 29.506 -3.774 8.441 1.00 0.00 H new ATOM 0 HA LYS A 77 30.267 -0.982 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 77 31.961 -1.886 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.937 -2.771 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 77 30.877 -4.689 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 30.645 -3.804 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.494 -5.267 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.163 -3.652 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.829 -4.128 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.166 -5.744 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.444 -5.928 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.689 -6.026 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.448 -4.585 6.049 1.00 0.00 H new ATOM 1099 N MET A 78 27.874 -1.210 6.465 1.00 0.00 N ATOM 1100 CA MET A 78 27.004 -0.520 5.483 1.00 0.00 C ATOM 1101 C MET A 78 26.872 0.978 5.893 1.00 0.00 C ATOM 1102 O MET A 78 26.135 1.321 6.826 1.00 0.00 O ATOM 1103 CB MET A 78 25.657 -1.299 5.393 1.00 0.00 C ATOM 1104 CG MET A 78 24.589 -0.620 4.508 1.00 0.00 C ATOM 1105 SD MET A 78 23.472 -1.784 3.614 1.00 0.00 S ATOM 1106 CE MET A 78 21.912 -0.960 4.117 1.00 0.00 C ATOM 0 H MET A 78 27.360 -1.604 7.253 1.00 0.00 H new ATOM 0 HA MET A 78 27.424 -0.515 4.477 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.854 -2.298 5.003 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.254 -1.423 6.398 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.983 0.035 5.133 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.092 0.013 3.777 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.063 -1.579 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.906 -0.822 5.198 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.839 0.011 3.627 1.00 0.00 H new ATOM 1116 N ALA A 79 27.571 1.874 5.169 1.00 0.00 N ATOM 1117 CA ALA A 79 27.486 3.340 5.412 1.00 0.00 C ATOM 1118 C ALA A 79 26.207 3.986 4.780 1.00 0.00 C ATOM 1119 O ALA A 79 26.256 4.687 3.765 1.00 0.00 O ATOM 1120 CB ALA A 79 28.818 3.935 4.912 1.00 0.00 C ATOM 0 H ALA A 79 28.202 1.615 4.410 1.00 0.00 H new ATOM 0 HA ALA A 79 27.362 3.562 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.815 5.014 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.645 3.492 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.937 3.719 3.850 1.00 0.00 H new ATOM 1126 N PHE A 80 25.050 3.718 5.409 1.00 0.00 N ATOM 1127 CA PHE A 80 23.719 4.120 4.890 1.00 0.00 C ATOM 1128 C PHE A 80 22.886 4.795 6.024 1.00 0.00 C ATOM 1129 O PHE A 80 22.695 4.233 7.108 1.00 0.00 O ATOM 1130 CB PHE A 80 23.044 2.865 4.270 1.00 0.00 C ATOM 1131 CG PHE A 80 21.705 3.125 3.561 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.648 3.942 2.426 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.526 2.558 4.056 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.429 4.199 1.805 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.311 2.807 3.429 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.264 3.636 2.314 1.00 0.00 C ATOM 0 H PHE A 80 25.005 3.215 6.295 1.00 0.00 H new ATOM 0 HA PHE A 80 23.802 4.870 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.734 2.417 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.882 2.132 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.555 4.375 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.560 1.924 4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.388 4.833 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.405 2.357 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.316 3.844 1.840 1.00 0.00 H new ATOM 1146 N ALA A 81 22.358 5.997 5.745 1.00 0.00 N ATOM 1147 CA ALA A 81 21.545 6.773 6.722 1.00 0.00 C ATOM 1148 C ALA A 81 20.053 6.346 6.927 1.00 0.00 C ATOM 1149 O ALA A 81 19.470 6.718 7.949 1.00 0.00 O ATOM 1150 CB ALA A 81 21.650 8.245 6.277 1.00 0.00 C ATOM 0 H ALA A 81 22.476 6.464 4.846 1.00 0.00 H new ATOM 0 HA ALA A 81 21.957 6.577 7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.072 8.872 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.694 8.557 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.258 8.348 5.265 1.00 0.00 H new ATOM 1156 N GLY A 82 19.443 5.594 5.990 1.00 0.00 N ATOM 1157 CA GLY A 82 18.047 5.108 6.139 1.00 0.00 C ATOM 1158 C GLY A 82 17.001 5.636 5.131 1.00 0.00 C ATOM 1159 O GLY A 82 16.999 6.804 4.735 1.00 0.00 O ATOM 0 H GLY A 82 19.891 5.307 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.060 4.020 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.707 5.362 7.143 1.00 0.00 H new ATOM 1163 N LEU A 83 16.035 4.768 4.802 1.00 0.00 N ATOM 1164 CA LEU A 83 14.816 5.134 4.035 1.00 0.00 C ATOM 1165 C LEU A 83 13.681 5.734 4.945 1.00 0.00 C ATOM 1166 O LEU A 83 13.399 5.147 5.999 1.00 0.00 O ATOM 1167 CB LEU A 83 14.288 3.881 3.277 1.00 0.00 C ATOM 1168 CG LEU A 83 15.123 3.407 2.061 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.545 2.112 1.480 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.157 4.455 0.940 1.00 0.00 C ATOM 0 H LEU A 83 16.069 3.781 5.059 1.00 0.00 H new ATOM 0 HA LEU A 83 15.096 5.914 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.220 3.056 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.275 4.091 2.934 1.00 0.00 H new ATOM 0 HG LEU A 83 16.136 3.244 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.146 1.796 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.559 1.333 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.518 2.285 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.753 4.079 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.142 4.654 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.600 5.377 1.317 1.00 0.00 H new ATOM 1182 N PRO A 84 12.979 6.852 4.589 1.00 0.00 N ATOM 1183 CA PRO A 84 12.009 7.513 5.507 1.00 0.00 C ATOM 1184 C PRO A 84 10.573 6.896 5.565 1.00 0.00 C ATOM 1185 O PRO A 84 10.080 6.627 6.664 1.00 0.00 O ATOM 1186 CB PRO A 84 12.062 8.970 5.002 1.00 0.00 C ATOM 1187 CG PRO A 84 12.355 8.872 3.501 1.00 0.00 C ATOM 1188 CD PRO A 84 13.250 7.638 3.367 1.00 0.00 C ATOM 0 HA PRO A 84 12.279 7.390 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.118 9.483 5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.838 9.536 5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.437 8.762 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.856 9.768 3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.011 7.070 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.302 7.916 3.298 1.00 0.00 H new ATOM 1196 N LYS A 85 9.898 6.670 4.420 1.00 0.00 N ATOM 1197 CA LYS A 85 8.504 6.154 4.390 1.00 0.00 C ATOM 1198 C LYS A 85 8.463 4.597 4.438 1.00 0.00 C ATOM 1199 O LYS A 85 9.322 3.905 3.877 1.00 0.00 O ATOM 1200 CB LYS A 85 7.781 6.651 3.109 1.00 0.00 C ATOM 1201 CG LYS A 85 7.665 8.176 2.850 1.00 0.00 C ATOM 1202 CD LYS A 85 6.800 8.973 3.858 1.00 0.00 C ATOM 1203 CE LYS A 85 7.539 9.566 5.075 1.00 0.00 C ATOM 1204 NZ LYS A 85 8.375 10.725 4.701 1.00 0.00 N ATOM 0 H LYS A 85 10.294 6.836 3.495 1.00 0.00 H new ATOM 0 HA LYS A 85 7.994 6.534 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.291 6.210 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.770 6.243 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.669 8.601 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.253 8.324 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.315 9.789 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.010 8.317 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.812 9.871 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.165 8.798 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.855 11.094 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.085 10.429 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.774 11.469 4.291 1.00 0.00 H new ATOM 1217 N ILE A 86 7.414 4.039 5.065 1.00 0.00 N ATOM 1218 CA ILE A 86 7.065 2.581 4.940 1.00 0.00 C ATOM 1219 C ILE A 86 6.858 2.098 3.459 1.00 0.00 C ATOM 1220 O ILE A 86 7.381 1.049 3.077 1.00 0.00 O ATOM 1221 CB ILE A 86 5.898 2.238 5.938 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.741 0.724 6.273 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.527 2.896 5.623 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.038 -0.190 5.248 1.00 0.00 C ATOM 0 H ILE A 86 6.781 4.563 5.669 1.00 0.00 H new ATOM 0 HA ILE A 86 7.926 1.985 5.242 1.00 0.00 H new ATOM 0 HB ILE A 86 6.252 2.721 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.737 0.319 6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.195 0.648 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.797 2.592 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.632 3.981 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.189 2.578 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.010 -1.211 5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.020 0.164 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.587 -0.170 4.306 1.00 0.00 H new ATOM 1236 N GLU A 87 6.208 2.923 2.613 1.00 0.00 N ATOM 1237 CA GLU A 87 6.140 2.731 1.141 1.00 0.00 C ATOM 1238 C GLU A 87 7.514 2.615 0.408 1.00 0.00 C ATOM 1239 O GLU A 87 7.613 1.824 -0.529 1.00 0.00 O ATOM 1240 CB GLU A 87 5.322 3.890 0.492 1.00 0.00 C ATOM 1241 CG GLU A 87 3.832 4.088 0.888 1.00 0.00 C ATOM 1242 CD GLU A 87 3.541 4.662 2.283 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.367 5.259 2.972 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.253 4.425 2.668 1.00 0.00 O ATOM 0 H GLU A 87 5.708 3.753 2.932 1.00 0.00 H new ATOM 0 HA GLU A 87 5.654 1.764 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.845 4.821 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.357 3.750 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.372 4.746 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.332 3.123 0.810 1.00 0.00 H new ATOM 1251 N ASP A 88 8.560 3.369 0.811 1.00 0.00 N ATOM 1252 CA ASP A 88 9.896 3.291 0.150 1.00 0.00 C ATOM 1253 C ASP A 88 10.585 1.902 0.322 1.00 0.00 C ATOM 1254 O ASP A 88 10.850 1.232 -0.679 1.00 0.00 O ATOM 1255 CB ASP A 88 10.795 4.466 0.626 1.00 0.00 C ATOM 1256 CG ASP A 88 10.434 5.846 0.075 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.113 6.058 -1.089 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.537 6.825 1.017 1.00 0.00 O ATOM 0 H ASP A 88 8.514 4.035 1.583 1.00 0.00 H new ATOM 0 HA ASP A 88 9.740 3.394 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.758 4.509 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.826 4.244 0.351 1.00 0.00 H new ATOM 1263 N ARG A 89 10.815 1.449 1.567 1.00 0.00 N ATOM 1264 CA ARG A 89 11.283 0.062 1.841 1.00 0.00 C ATOM 1265 C ARG A 89 10.324 -1.097 1.418 1.00 0.00 C ATOM 1266 O ARG A 89 10.821 -2.054 0.829 1.00 0.00 O ATOM 1267 CB ARG A 89 11.838 -0.067 3.279 1.00 0.00 C ATOM 1268 CG ARG A 89 10.915 0.351 4.451 1.00 0.00 C ATOM 1269 CD ARG A 89 11.436 1.576 5.231 1.00 0.00 C ATOM 1270 NE ARG A 89 10.942 1.486 6.637 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.487 2.480 7.390 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.249 3.677 6.940 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.294 2.245 8.654 1.00 0.00 N ATOM 0 H ARG A 89 10.687 2.016 2.405 1.00 0.00 H new ATOM 0 HA ARG A 89 12.111 -0.093 1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.126 -1.107 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.749 0.529 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.922 0.573 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.807 -0.489 5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.526 1.601 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.088 2.498 4.765 1.00 0.00 H new ATOM 0 HE ARG A 89 10.956 0.560 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.412 3.894 5.957 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.900 4.399 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.491 1.320 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.945 2.985 9.263 1.00 0.00 H new ATOM 1287 N ALA A 90 8.996 -1.036 1.639 1.00 0.00 N ATOM 1288 CA ALA A 90 8.043 -2.050 1.100 1.00 0.00 C ATOM 1289 C ALA A 90 7.952 -2.192 -0.461 1.00 0.00 C ATOM 1290 O ALA A 90 8.026 -3.314 -0.971 1.00 0.00 O ATOM 1291 CB ALA A 90 6.694 -1.781 1.782 1.00 0.00 C ATOM 0 H ALA A 90 8.551 -0.299 2.186 1.00 0.00 H new ATOM 0 HA ALA A 90 8.429 -3.040 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.955 -2.498 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.805 -1.884 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.363 -0.770 1.547 1.00 0.00 H new ATOM 1297 N ASN A 91 7.880 -1.083 -1.222 1.00 0.00 N ATOM 1298 CA ASN A 91 8.058 -1.097 -2.712 1.00 0.00 C ATOM 1299 C ASN A 91 9.452 -1.613 -3.219 1.00 0.00 C ATOM 1300 O ASN A 91 9.514 -2.448 -4.126 1.00 0.00 O ATOM 1301 CB ASN A 91 7.749 0.317 -3.279 1.00 0.00 C ATOM 1302 CG ASN A 91 6.286 0.777 -3.200 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.338 0.003 -3.100 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.049 2.062 -3.280 1.00 0.00 N ATOM 0 H ASN A 91 7.699 -0.155 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 91 7.348 -1.832 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.365 1.041 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.060 0.342 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.089 2.406 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.824 2.719 -3.363 1.00 0.00 H new ATOM 1311 N LEU A 92 10.563 -1.158 -2.610 1.00 0.00 N ATOM 1312 CA LEU A 92 11.909 -1.789 -2.752 1.00 0.00 C ATOM 1313 C LEU A 92 11.987 -3.322 -2.408 1.00 0.00 C ATOM 1314 O LEU A 92 12.578 -4.085 -3.172 1.00 0.00 O ATOM 1315 CB LEU A 92 12.859 -0.858 -1.942 1.00 0.00 C ATOM 1316 CG LEU A 92 14.376 -1.144 -1.840 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.675 -2.292 -0.870 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.049 -1.384 -3.197 1.00 0.00 C ATOM 0 H LEU A 92 10.563 -0.340 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 92 12.212 -1.846 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.753 0.143 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.474 -0.822 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 92 14.815 -0.231 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.751 -2.461 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.308 -2.034 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.179 -3.199 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.111 -1.578 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.589 -2.243 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.926 -0.502 -3.825 1.00 0.00 H new ATOM 1330 N ILE A 93 11.381 -3.788 -1.303 1.00 0.00 N ATOM 1331 CA ILE A 93 11.232 -5.242 -0.963 1.00 0.00 C ATOM 1332 C ILE A 93 10.381 -6.066 -2.006 1.00 0.00 C ATOM 1333 O ILE A 93 10.711 -7.228 -2.266 1.00 0.00 O ATOM 1334 CB ILE A 93 10.786 -5.326 0.550 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.957 -4.975 1.528 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.158 -6.671 0.985 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.543 -4.564 2.954 1.00 0.00 C ATOM 0 H ILE A 93 10.971 -3.171 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 93 12.186 -5.762 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 93 9.997 -4.577 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.618 -5.839 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.538 -4.163 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.888 -6.622 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.265 -6.865 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.878 -7.475 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.434 -4.344 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.910 -3.677 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.991 -5.379 3.422 1.00 0.00 H new ATOM 1349 N ALA A 94 9.333 -5.497 -2.634 1.00 0.00 N ATOM 1350 CA ALA A 94 8.731 -6.058 -3.881 1.00 0.00 C ATOM 1351 C ALA A 94 9.685 -6.147 -5.125 1.00 0.00 C ATOM 1352 O ALA A 94 9.772 -7.209 -5.749 1.00 0.00 O ATOM 1353 CB ALA A 94 7.450 -5.257 -4.168 1.00 0.00 C ATOM 0 H ALA A 94 8.878 -4.646 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 94 8.509 -7.110 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.979 -5.637 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.761 -5.360 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.701 -4.205 -4.304 1.00 0.00 H new ATOM 1359 N TYR A 95 10.444 -5.077 -5.445 1.00 0.00 N ATOM 1360 CA TYR A 95 11.604 -5.139 -6.388 1.00 0.00 C ATOM 1361 C TYR A 95 12.689 -6.226 -6.054 1.00 0.00 C ATOM 1362 O TYR A 95 13.006 -7.027 -6.931 1.00 0.00 O ATOM 1363 CB TYR A 95 12.152 -3.687 -6.518 1.00 0.00 C ATOM 1364 CG TYR A 95 13.431 -3.514 -7.351 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.377 -3.366 -8.740 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.674 -3.567 -6.712 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.556 -3.263 -9.477 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.846 -3.490 -7.454 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.789 -3.322 -8.833 1.00 0.00 C ATOM 1370 OH TYR A 95 16.946 -3.228 -9.558 1.00 0.00 O ATOM 0 H TYR A 95 10.279 -4.145 -5.064 1.00 0.00 H new ATOM 0 HA TYR A 95 11.263 -5.500 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.372 -3.065 -6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.342 -3.302 -5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.422 -3.331 -9.242 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.723 -3.668 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.513 -3.137 -10.549 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.803 -3.561 -6.959 1.00 0.00 H new ATOM 0 HH TYR A 95 17.599 -2.691 -9.063 1.00 0.00 H new ATOM 1380 N LEU A 96 13.246 -6.280 -4.830 1.00 0.00 N ATOM 1381 CA LEU A 96 14.235 -7.334 -4.428 1.00 0.00 C ATOM 1382 C LEU A 96 13.724 -8.822 -4.439 1.00 0.00 C ATOM 1383 O LEU A 96 14.519 -9.739 -4.661 1.00 0.00 O ATOM 1384 CB LEU A 96 14.844 -6.968 -3.043 1.00 0.00 C ATOM 1385 CG LEU A 96 15.670 -5.658 -2.918 1.00 0.00 C ATOM 1386 CD1 LEU A 96 16.090 -5.439 -1.454 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.921 -5.645 -3.813 1.00 0.00 C ATOM 0 H LEU A 96 13.036 -5.610 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 96 14.992 -7.324 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.026 -6.913 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.484 -7.794 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 96 15.022 -4.849 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.669 -4.519 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.201 -5.363 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.698 -6.280 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.454 -4.704 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.574 -6.474 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.623 -5.748 -4.856 1.00 0.00 H new ATOM 1399 N GLU A 97 12.414 -9.057 -4.236 1.00 0.00 N ATOM 1400 CA GLU A 97 11.749 -10.352 -4.570 1.00 0.00 C ATOM 1401 C GLU A 97 11.684 -10.682 -6.102 1.00 0.00 C ATOM 1402 O GLU A 97 12.062 -11.790 -6.490 1.00 0.00 O ATOM 1403 CB GLU A 97 10.333 -10.360 -3.924 1.00 0.00 C ATOM 1404 CG GLU A 97 10.324 -10.465 -2.380 1.00 0.00 C ATOM 1405 CD GLU A 97 8.977 -10.159 -1.739 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.788 -8.817 -1.564 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.171 -11.023 -1.406 1.00 0.00 O ATOM 0 H GLU A 97 11.780 -8.364 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 97 12.368 -11.149 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.811 -9.448 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.767 -11.196 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.629 -11.472 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.069 -9.780 -1.977 1.00 0.00 H new