USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 36 GLN : amide:sc= -12.6! C(o=-20!,f=-24!) USER MOD Set 1.2: A 48 ASN : amide:sc= -7.28! C(o=-20!,f=-33!) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.447 X(o=-0.51,f=-0.063) USER MOD Set 2.2: A 32 TYR OH : rot 0:sc= -0.0626 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 130:sc= -2.2! USER MOD Single : A 8 THR OG1 : rot -138:sc= -5.78! USER MOD Single : A 10 SER OG : rot 65:sc= -2.58! USER MOD Single : A 11 SER OG : rot 41:sc= 0.778 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 98:sc= -0.0364 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 29:sc= 1.18 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00714 USER MOD Single : A 65 THR OG1 : rot 54:sc= -0.586 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -2.22! USER MOD Single : A 72 SER OG : rot 180:sc= -0.699 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -27:sc= 0.145 USER MOD Single : A 103 ASN : amide:sc= -9.61! C(o=-9.6!,f=-5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.171 11.739 -5.300 1.00 0.00 N ATOM 12 CA ALA A 2 3.797 10.851 -4.341 1.00 0.00 C ATOM 13 C ALA A 2 5.101 11.462 -3.847 1.00 0.00 C ATOM 14 O ALA A 2 5.981 11.779 -4.644 1.00 0.00 O ATOM 15 CB ALA A 2 4.049 9.495 -4.994 1.00 0.00 C ATOM 0 HA ALA A 2 3.137 10.711 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.520 8.826 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.101 9.067 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.706 9.622 -5.854 1.00 0.00 H new ATOM 21 N PRO A 3 5.222 11.627 -2.528 1.00 0.00 N ATOM 22 CA PRO A 3 6.388 12.190 -1.880 1.00 0.00 C ATOM 23 C PRO A 3 7.534 11.189 -1.932 1.00 0.00 C ATOM 24 O PRO A 3 7.416 10.141 -2.563 1.00 0.00 O ATOM 25 CB PRO A 3 5.950 12.446 -0.440 1.00 0.00 C ATOM 26 CG PRO A 3 4.903 11.359 -0.206 1.00 0.00 C ATOM 27 CD PRO A 3 4.207 11.266 -1.562 1.00 0.00 C ATOM 0 HA PRO A 3 6.741 13.103 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.783 12.361 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.531 13.445 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.360 10.412 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.208 11.631 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.829 10.260 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.353 11.942 -1.615 1.00 0.00 H new ATOM 35 N THR A 4 8.645 11.515 -1.268 1.00 0.00 N ATOM 36 CA THR A 4 9.801 10.643 -1.245 1.00 0.00 C ATOM 37 C THR A 4 9.780 9.786 0.012 1.00 0.00 C ATOM 38 O THR A 4 9.985 10.290 1.114 1.00 0.00 O ATOM 39 CB THR A 4 11.073 11.484 -1.304 1.00 0.00 C ATOM 40 OG1 THR A 4 12.196 10.652 -1.121 1.00 0.00 O ATOM 41 CG2 THR A 4 11.037 12.539 -0.203 1.00 0.00 C ATOM 0 H THR A 4 8.760 12.381 -0.741 1.00 0.00 H new ATOM 0 HA THR A 4 9.777 9.981 -2.111 1.00 0.00 H new ATOM 0 HB THR A 4 11.139 11.975 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.013 11.192 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.945 13.140 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.169 13.183 -0.345 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.971 12.049 0.768 1.00 0.00 H new ATOM 49 N ALA A 5 9.532 8.485 -0.155 1.00 0.00 N ATOM 50 CA ALA A 5 9.485 7.565 0.963 1.00 0.00 C ATOM 51 C ALA A 5 10.398 6.378 0.694 1.00 0.00 C ATOM 52 O ALA A 5 10.538 5.947 -0.449 1.00 0.00 O ATOM 53 CB ALA A 5 8.047 7.103 1.180 1.00 0.00 C ATOM 0 H ALA A 5 9.361 8.052 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 5 9.832 8.067 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.010 6.411 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.416 7.966 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.686 6.602 0.282 1.00 0.00 H new ATOM 59 N THR A 6 11.021 5.849 1.749 1.00 0.00 N ATOM 60 CA THR A 6 11.915 4.716 1.616 1.00 0.00 C ATOM 61 C THR A 6 11.224 3.450 2.104 1.00 0.00 C ATOM 62 O THR A 6 10.935 3.315 3.291 1.00 0.00 O ATOM 63 CB THR A 6 13.189 4.978 2.415 1.00 0.00 C ATOM 64 OG1 THR A 6 12.869 5.687 3.591 1.00 0.00 O ATOM 65 CG2 THR A 6 14.157 5.803 1.572 1.00 0.00 C ATOM 0 H THR A 6 10.917 6.194 2.703 1.00 0.00 H new ATOM 0 HA THR A 6 12.180 4.579 0.567 1.00 0.00 H new ATOM 0 HB THR A 6 13.654 4.028 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.277 5.241 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.067 5.991 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.405 5.256 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.692 6.753 1.309 1.00 0.00 H new ATOM 73 N VAL A 7 10.961 2.521 1.182 1.00 0.00 N ATOM 74 CA VAL A 7 10.307 1.273 1.520 1.00 0.00 C ATOM 75 C VAL A 7 11.293 0.122 1.384 1.00 0.00 C ATOM 76 O VAL A 7 12.192 0.168 0.547 1.00 0.00 O ATOM 77 CB VAL A 7 9.104 1.065 0.605 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.337 -0.178 1.045 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.188 2.283 0.686 1.00 0.00 C ATOM 0 H VAL A 7 11.195 2.618 0.194 1.00 0.00 H new ATOM 0 HA VAL A 7 9.959 1.308 2.552 1.00 0.00 H new ATOM 0 HB VAL A 7 9.447 0.935 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.478 -0.326 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.991 -1.048 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.994 -0.049 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.328 2.136 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.846 2.413 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.735 3.171 0.371 1.00 0.00 H new ATOM 89 N THR A 8 11.125 -0.913 2.210 1.00 0.00 N ATOM 90 CA THR A 8 12.000 -2.067 2.174 1.00 0.00 C ATOM 91 C THR A 8 11.791 -2.836 0.877 1.00 0.00 C ATOM 92 O THR A 8 10.920 -2.492 0.081 1.00 0.00 O ATOM 93 CB THR A 8 11.719 -2.956 3.381 1.00 0.00 C ATOM 94 OG1 THR A 8 12.934 -3.471 3.879 1.00 0.00 O ATOM 95 CG2 THR A 8 10.812 -4.110 2.964 1.00 0.00 C ATOM 0 H THR A 8 10.386 -0.967 2.911 1.00 0.00 H new ATOM 0 HA THR A 8 13.039 -1.740 2.214 1.00 0.00 H new ATOM 0 HB THR A 8 11.227 -2.369 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.817 -4.415 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.611 -4.745 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.872 -3.714 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.303 -4.697 2.188 1.00 0.00 H new ATOM 103 N PRO A 9 12.593 -3.882 0.667 1.00 0.00 N ATOM 104 CA PRO A 9 12.539 -4.730 -0.504 1.00 0.00 C ATOM 105 C PRO A 9 11.296 -5.606 -0.444 1.00 0.00 C ATOM 106 O PRO A 9 11.121 -6.374 0.499 1.00 0.00 O ATOM 107 CB PRO A 9 13.808 -5.576 -0.435 1.00 0.00 C ATOM 108 CG PRO A 9 14.059 -5.687 1.068 1.00 0.00 C ATOM 109 CD PRO A 9 13.627 -4.315 1.582 1.00 0.00 C ATOM 0 HA PRO A 9 12.485 -4.164 -1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.668 -6.554 -0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.641 -5.098 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.475 -6.490 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.106 -5.891 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.250 -4.377 2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.463 -3.616 1.592 1.00 0.00 H new ATOM 117 N SER A 10 10.430 -5.487 -1.453 1.00 0.00 N ATOM 118 CA SER A 10 9.210 -6.267 -1.508 1.00 0.00 C ATOM 119 C SER A 10 9.191 -7.108 -2.776 1.00 0.00 C ATOM 120 O SER A 10 8.226 -7.068 -3.536 1.00 0.00 O ATOM 121 CB SER A 10 8.006 -5.330 -1.463 1.00 0.00 C ATOM 122 OG SER A 10 7.825 -4.737 -2.729 1.00 0.00 O ATOM 0 H SER A 10 10.560 -4.853 -2.242 1.00 0.00 H new ATOM 0 HA SER A 10 9.165 -6.938 -0.650 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.111 -5.883 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.159 -4.560 -0.707 1.00 0.00 H new ATOM 0 HG SER A 10 7.586 -5.427 -3.382 1.00 0.00 H new ATOM 128 N SER A 11 10.261 -7.873 -3.002 1.00 0.00 N ATOM 129 CA SER A 11 10.360 -8.720 -4.174 1.00 0.00 C ATOM 130 C SER A 11 10.939 -10.074 -3.785 1.00 0.00 C ATOM 131 O SER A 11 12.134 -10.188 -3.522 1.00 0.00 O ATOM 132 CB SER A 11 11.236 -8.038 -5.221 1.00 0.00 C ATOM 133 OG SER A 11 12.497 -7.747 -4.662 1.00 0.00 O ATOM 0 H SER A 11 11.069 -7.917 -2.382 1.00 0.00 H new ATOM 0 HA SER A 11 9.368 -8.879 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.352 -8.685 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.760 -7.121 -5.568 1.00 0.00 H new ATOM 0 HG SER A 11 12.787 -8.497 -4.101 1.00 0.00 H new ATOM 139 N GLY A 12 10.088 -11.102 -3.751 1.00 0.00 N ATOM 140 CA GLY A 12 10.523 -12.438 -3.397 1.00 0.00 C ATOM 141 C GLY A 12 10.097 -12.771 -1.973 1.00 0.00 C ATOM 142 O GLY A 12 10.501 -13.794 -1.425 1.00 0.00 O ATOM 0 H GLY A 12 9.094 -11.026 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.097 -13.163 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.607 -12.511 -3.486 1.00 0.00 H new ATOM 146 N LEU A 13 9.279 -11.902 -1.376 1.00 0.00 N ATOM 147 CA LEU A 13 8.803 -12.106 -0.022 1.00 0.00 C ATOM 148 C LEU A 13 7.296 -12.320 -0.031 1.00 0.00 C ATOM 149 O LEU A 13 6.583 -11.696 -0.814 1.00 0.00 O ATOM 150 CB LEU A 13 9.172 -10.898 0.834 1.00 0.00 C ATOM 151 CG LEU A 13 8.635 -9.628 0.180 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.118 -9.578 0.336 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.257 -8.408 0.853 1.00 0.00 C ATOM 0 H LEU A 13 8.936 -11.049 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 13 9.273 -12.993 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.756 -11.008 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.255 -10.834 0.944 1.00 0.00 H new ATOM 0 HG LEU A 13 8.891 -9.628 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.734 -8.671 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.674 -10.450 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.861 -9.578 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.874 -7.500 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.001 -8.407 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.341 -8.444 0.741 1.00 0.00 H new ATOM 165 N SER A 14 6.811 -13.204 0.843 1.00 0.00 N ATOM 166 CA SER A 14 5.394 -13.493 0.931 1.00 0.00 C ATOM 167 C SER A 14 4.898 -13.221 2.344 1.00 0.00 C ATOM 168 O SER A 14 5.598 -12.600 3.141 1.00 0.00 O ATOM 169 CB SER A 14 5.147 -14.948 0.542 1.00 0.00 C ATOM 170 OG SER A 14 5.747 -15.797 1.495 1.00 0.00 O ATOM 0 H SER A 14 7.388 -13.730 1.499 1.00 0.00 H new ATOM 0 HA SER A 14 4.845 -12.849 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.076 -15.144 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.559 -15.146 -0.448 1.00 0.00 H new ATOM 0 HG SER A 14 5.587 -16.732 1.247 1.00 0.00 H new ATOM 176 N ASP A 15 3.687 -13.689 2.654 1.00 0.00 N ATOM 177 CA ASP A 15 3.105 -13.495 3.967 1.00 0.00 C ATOM 178 C ASP A 15 4.154 -13.752 5.039 1.00 0.00 C ATOM 179 O ASP A 15 5.082 -14.530 4.827 1.00 0.00 O ATOM 180 CB ASP A 15 1.914 -14.434 4.139 1.00 0.00 C ATOM 181 CG ASP A 15 1.281 -14.263 5.512 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.541 -13.208 6.130 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.549 -15.191 5.919 1.00 0.00 O ATOM 0 H ASP A 15 3.095 -14.206 2.004 1.00 0.00 H new ATOM 0 HA ASP A 15 2.757 -12.467 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.173 -14.233 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.238 -15.467 4.010 1.00 0.00 H new ATOM 188 N GLY A 16 4.008 -13.096 6.192 1.00 0.00 N ATOM 189 CA GLY A 16 4.945 -13.261 7.285 1.00 0.00 C ATOM 190 C GLY A 16 6.046 -12.213 7.198 1.00 0.00 C ATOM 191 O GLY A 16 6.678 -11.889 8.201 1.00 0.00 O ATOM 0 H GLY A 16 3.246 -12.446 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.423 -13.172 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.380 -14.260 7.252 1.00 0.00 H new ATOM 195 N THR A 17 6.275 -11.684 5.995 1.00 0.00 N ATOM 196 CA THR A 17 7.297 -10.678 5.787 1.00 0.00 C ATOM 197 C THR A 17 6.737 -9.298 6.101 1.00 0.00 C ATOM 198 O THR A 17 5.560 -9.034 5.867 1.00 0.00 O ATOM 199 CB THR A 17 7.791 -10.745 4.345 1.00 0.00 C ATOM 200 OG1 THR A 17 8.651 -11.852 4.194 1.00 0.00 O ATOM 201 CG2 THR A 17 8.546 -9.464 4.005 1.00 0.00 C ATOM 0 H THR A 17 5.761 -11.942 5.153 1.00 0.00 H new ATOM 0 HA THR A 17 8.138 -10.867 6.455 1.00 0.00 H new ATOM 0 HB THR A 17 6.939 -10.853 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.153 -12.603 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.899 -9.512 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.881 -8.608 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.398 -9.355 4.676 1.00 0.00 H new ATOM 209 N VAL A 18 7.587 -8.416 6.634 1.00 0.00 N ATOM 210 CA VAL A 18 7.176 -7.069 6.977 1.00 0.00 C ATOM 211 C VAL A 18 7.940 -6.065 6.125 1.00 0.00 C ATOM 212 O VAL A 18 9.164 -6.126 6.040 1.00 0.00 O ATOM 213 CB VAL A 18 7.430 -6.824 8.461 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.927 -6.910 8.743 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.921 -5.436 8.842 1.00 0.00 C ATOM 0 H VAL A 18 8.566 -8.620 6.835 1.00 0.00 H new ATOM 0 HA VAL A 18 6.111 -6.947 6.779 1.00 0.00 H new ATOM 0 HB VAL A 18 6.906 -7.578 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.108 -6.735 9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.292 -7.900 8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.452 -6.156 8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.102 -5.260 9.902 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.445 -4.682 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.851 -5.373 8.641 1.00 0.00 H new ATOM 225 N VAL A 19 7.213 -5.140 5.495 1.00 0.00 N ATOM 226 CA VAL A 19 7.823 -4.129 4.655 1.00 0.00 C ATOM 227 C VAL A 19 7.941 -2.822 5.426 1.00 0.00 C ATOM 228 O VAL A 19 7.236 -2.614 6.411 1.00 0.00 O ATOM 229 CB VAL A 19 6.983 -3.940 3.395 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.194 -5.127 2.460 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.508 -3.849 3.777 1.00 0.00 C ATOM 0 H VAL A 19 6.197 -5.077 5.557 1.00 0.00 H new ATOM 0 HA VAL A 19 8.824 -4.448 4.363 1.00 0.00 H new ATOM 0 HB VAL A 19 7.285 -3.022 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.594 -4.992 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.247 -5.193 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.891 -6.045 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.907 -3.714 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.205 -4.767 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.357 -3.001 4.445 1.00 0.00 H new ATOM 241 N LYS A 20 8.836 -1.939 4.975 1.00 0.00 N ATOM 242 CA LYS A 20 9.039 -0.660 5.624 1.00 0.00 C ATOM 243 C LYS A 20 8.599 0.466 4.699 1.00 0.00 C ATOM 244 O LYS A 20 8.754 0.370 3.484 1.00 0.00 O ATOM 245 CB LYS A 20 10.511 -0.508 5.998 1.00 0.00 C ATOM 246 CG LYS A 20 10.621 0.020 7.425 1.00 0.00 C ATOM 247 CD LYS A 20 10.768 1.538 7.397 1.00 0.00 C ATOM 248 CE LYS A 20 12.101 1.932 8.027 1.00 0.00 C ATOM 249 NZ LYS A 20 11.965 3.159 8.827 1.00 0.00 N ATOM 0 H LYS A 20 9.429 -2.096 4.160 1.00 0.00 H new ATOM 0 HA LYS A 20 8.439 -0.611 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.020 -1.468 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.004 0.176 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.736 -0.260 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.479 -0.430 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.718 1.900 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.945 2.004 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.463 1.120 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.846 2.084 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.885 3.405 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.642 3.937 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.271 3.003 9.586 1.00 0.00 H new ATOM 263 N VAL A 21 8.050 1.536 5.279 1.00 0.00 N ATOM 264 CA VAL A 21 7.591 2.673 4.506 1.00 0.00 C ATOM 265 C VAL A 21 7.900 3.962 5.255 1.00 0.00 C ATOM 266 O VAL A 21 7.290 4.246 6.284 1.00 0.00 O ATOM 267 CB VAL A 21 6.092 2.542 4.251 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.826 2.590 2.749 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.595 1.213 4.813 1.00 0.00 C ATOM 0 H VAL A 21 7.916 1.631 6.286 1.00 0.00 H new ATOM 0 HA VAL A 21 8.108 2.699 3.547 1.00 0.00 H new ATOM 0 HB VAL A 21 5.567 3.363 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.756 2.496 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.181 3.539 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.351 1.769 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.524 1.119 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.120 0.392 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.785 1.178 5.886 1.00 0.00 H new ATOM 279 N ALA A 22 8.850 4.743 4.735 1.00 0.00 N ATOM 280 CA ALA A 22 9.235 5.995 5.355 1.00 0.00 C ATOM 281 C ALA A 22 9.041 7.139 4.370 1.00 0.00 C ATOM 282 O ALA A 22 9.740 7.218 3.363 1.00 0.00 O ATOM 283 CB ALA A 22 10.689 5.911 5.808 1.00 0.00 C ATOM 0 H ALA A 22 9.364 4.521 3.882 1.00 0.00 H new ATOM 0 HA ALA A 22 8.608 6.182 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.980 6.852 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.800 5.100 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.328 5.721 4.946 1.00 0.00 H new ATOM 289 N GLY A 23 8.089 8.027 4.663 1.00 0.00 N ATOM 290 CA GLY A 23 7.813 9.159 3.800 1.00 0.00 C ATOM 291 C GLY A 23 8.751 10.312 4.125 1.00 0.00 C ATOM 292 O GLY A 23 9.107 10.519 5.284 1.00 0.00 O ATOM 0 H GLY A 23 7.500 7.977 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.932 8.867 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.778 9.477 3.926 1.00 0.00 H new ATOM 296 N ALA A 24 9.153 11.064 3.098 1.00 0.00 N ATOM 297 CA ALA A 24 10.047 12.190 3.278 1.00 0.00 C ATOM 298 C ALA A 24 9.653 13.318 2.336 1.00 0.00 C ATOM 299 O ALA A 24 9.823 13.205 1.124 1.00 0.00 O ATOM 300 CB ALA A 24 11.483 11.744 3.017 1.00 0.00 C ATOM 0 H ALA A 24 8.867 10.905 2.132 1.00 0.00 H new ATOM 0 HA ALA A 24 9.974 12.557 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.157 12.590 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.751 10.952 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.568 11.371 1.996 1.00 0.00 H new ATOM 306 N GLY A 25 9.123 14.408 2.894 1.00 0.00 N ATOM 307 CA GLY A 25 8.708 15.546 2.098 1.00 0.00 C ATOM 308 C GLY A 25 7.189 15.629 2.048 1.00 0.00 C ATOM 309 O GLY A 25 6.631 16.343 1.217 1.00 0.00 O ATOM 0 H GLY A 25 8.974 14.519 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.115 16.464 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.108 15.457 1.088 1.00 0.00 H new ATOM 313 N LEU A 26 6.520 14.896 2.941 1.00 0.00 N ATOM 314 CA LEU A 26 5.072 14.890 2.994 1.00 0.00 C ATOM 315 C LEU A 26 4.586 15.967 3.954 1.00 0.00 C ATOM 316 O LEU A 26 5.368 16.505 4.734 1.00 0.00 O ATOM 317 CB LEU A 26 4.586 13.513 3.437 1.00 0.00 C ATOM 318 CG LEU A 26 5.728 12.508 3.318 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.161 11.092 3.302 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.498 12.763 2.025 1.00 0.00 C ATOM 0 H LEU A 26 6.968 14.299 3.636 1.00 0.00 H new ATOM 0 HA LEU A 26 4.667 15.103 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.230 13.555 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.744 13.197 2.821 1.00 0.00 H new ATOM 0 HG LEU A 26 6.400 12.620 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.977 10.374 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.612 10.909 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.488 10.979 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.314 12.045 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.826 12.652 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.904 13.774 2.037 1.00 0.00 H new ATOM 332 N GLN A 27 3.289 16.280 3.894 1.00 0.00 N ATOM 333 CA GLN A 27 2.707 17.290 4.756 1.00 0.00 C ATOM 334 C GLN A 27 3.122 17.040 6.199 1.00 0.00 C ATOM 335 O GLN A 27 2.851 15.975 6.749 1.00 0.00 O ATOM 336 CB GLN A 27 1.188 17.259 4.617 1.00 0.00 C ATOM 337 CG GLN A 27 0.800 17.606 3.183 1.00 0.00 C ATOM 338 CD GLN A 27 -0.699 17.449 2.973 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.407 18.434 2.772 1.00 0.00 O ATOM 340 NE2 GLN A 27 -1.183 16.205 3.021 1.00 0.00 N ATOM 0 H GLN A 27 2.627 15.842 3.253 1.00 0.00 H new ATOM 0 HA GLN A 27 3.067 18.276 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.809 16.271 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.734 17.968 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.097 18.631 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.338 16.959 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.555 15.420 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.181 16.040 2.888 1.00 0.00 H new ATOM 349 N ALA A 28 3.782 18.026 6.811 1.00 0.00 N ATOM 350 CA ALA A 28 4.231 17.908 8.183 1.00 0.00 C ATOM 351 C ALA A 28 3.039 17.999 9.125 1.00 0.00 C ATOM 352 O ALA A 28 2.179 18.860 8.960 1.00 0.00 O ATOM 353 CB ALA A 28 5.242 19.011 8.483 1.00 0.00 C ATOM 0 H ALA A 28 4.014 18.915 6.368 1.00 0.00 H new ATOM 0 HA ALA A 28 4.713 16.941 8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.581 18.923 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.095 18.915 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.773 19.984 8.336 1.00 0.00 H new ATOM 359 N GLY A 29 2.989 17.105 10.116 1.00 0.00 N ATOM 360 CA GLY A 29 1.902 17.093 11.075 1.00 0.00 C ATOM 361 C GLY A 29 0.636 16.546 10.430 1.00 0.00 C ATOM 362 O GLY A 29 -0.438 16.593 11.026 1.00 0.00 O ATOM 0 H GLY A 29 3.693 16.383 10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.174 16.481 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.723 18.102 11.445 1.00 0.00 H new ATOM 366 N THR A 30 0.763 16.027 9.206 1.00 0.00 N ATOM 367 CA THR A 30 -0.370 15.476 8.491 1.00 0.00 C ATOM 368 C THR A 30 -0.400 13.963 8.654 1.00 0.00 C ATOM 369 O THR A 30 0.636 13.307 8.573 1.00 0.00 O ATOM 370 CB THR A 30 -0.275 15.859 7.017 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.263 16.819 6.717 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.492 14.620 6.154 1.00 0.00 C ATOM 0 H THR A 30 1.645 15.981 8.696 1.00 0.00 H new ATOM 0 HA THR A 30 -1.295 15.883 8.901 1.00 0.00 H new ATOM 0 HB THR A 30 0.711 16.276 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.309 16.949 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.424 14.894 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.271 13.877 6.386 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.478 14.203 6.358 1.00 0.00 H new ATOM 380 N ALA A 31 -1.593 13.411 8.884 1.00 0.00 N ATOM 381 CA ALA A 31 -1.753 11.981 9.057 1.00 0.00 C ATOM 382 C ALA A 31 -1.868 11.306 7.698 1.00 0.00 C ATOM 383 O ALA A 31 -2.326 11.919 6.736 1.00 0.00 O ATOM 384 CB ALA A 31 -2.993 11.708 9.904 1.00 0.00 C ATOM 0 H ALA A 31 -2.461 13.942 8.954 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.882 11.573 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.115 10.633 10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.879 12.182 10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.872 12.114 9.404 1.00 0.00 H new ATOM 390 N TYR A 32 -1.452 10.041 7.620 1.00 0.00 N ATOM 391 CA TYR A 32 -1.510 9.294 6.380 1.00 0.00 C ATOM 392 C TYR A 32 -2.047 7.894 6.644 1.00 0.00 C ATOM 393 O TYR A 32 -1.985 7.406 7.770 1.00 0.00 O ATOM 394 CB TYR A 32 -0.116 9.229 5.761 1.00 0.00 C ATOM 395 CG TYR A 32 0.349 10.545 5.185 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.109 10.961 3.929 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.239 11.350 5.907 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.323 12.181 3.395 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.671 12.570 5.373 1.00 0.00 C ATOM 400 CZ TYR A 32 1.213 12.985 4.117 1.00 0.00 C ATOM 401 OH TYR A 32 1.634 14.174 3.597 1.00 0.00 O ATOM 0 H TYR A 32 -1.071 9.518 8.409 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.182 9.794 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.595 8.902 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.111 8.475 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.796 10.341 3.372 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.592 11.030 6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.030 12.502 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.357 13.191 5.930 1.00 0.00 H new ATOM 0 HH TYR A 32 1.222 14.311 2.718 1.00 0.00 H new ATOM 411 N ASP A 33 -2.577 7.250 5.602 1.00 0.00 N ATOM 412 CA ASP A 33 -3.122 5.913 5.727 1.00 0.00 C ATOM 413 C ASP A 33 -2.367 4.961 4.811 1.00 0.00 C ATOM 414 O ASP A 33 -2.377 5.129 3.594 1.00 0.00 O ATOM 415 CB ASP A 33 -4.608 5.936 5.377 1.00 0.00 C ATOM 416 CG ASP A 33 -5.446 6.309 6.592 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.027 5.935 7.708 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.491 6.962 6.381 1.00 0.00 O ATOM 0 H ASP A 33 -2.636 7.642 4.662 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.009 5.564 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.786 6.651 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.914 4.958 5.006 1.00 0.00 H new ATOM 423 N VAL A 34 -1.710 3.958 5.400 1.00 0.00 N ATOM 424 CA VAL A 34 -0.954 2.987 4.636 1.00 0.00 C ATOM 425 C VAL A 34 -1.767 1.709 4.481 1.00 0.00 C ATOM 426 O VAL A 34 -2.406 1.259 5.429 1.00 0.00 O ATOM 427 CB VAL A 34 0.369 2.704 5.342 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.502 2.710 4.320 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.625 3.781 6.392 1.00 0.00 C ATOM 0 H VAL A 34 -1.692 3.805 6.408 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.743 3.383 3.643 1.00 0.00 H new ATOM 0 HB VAL A 34 0.322 1.729 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.447 2.508 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.319 1.941 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.550 3.685 3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.570 3.580 6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.673 4.757 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.184 3.777 7.122 1.00 0.00 H new ATOM 439 N GLY A 35 -1.741 1.124 3.281 1.00 0.00 N ATOM 440 CA GLY A 35 -2.475 -0.097 3.014 1.00 0.00 C ATOM 441 C GLY A 35 -1.888 -0.812 1.806 1.00 0.00 C ATOM 442 O GLY A 35 -1.150 -0.215 1.025 1.00 0.00 O ATOM 0 H GLY A 35 -1.216 1.483 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.437 -0.750 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.525 0.134 2.834 1.00 0.00 H new ATOM 446 N GLN A 36 -2.218 -2.097 1.653 1.00 0.00 N ATOM 447 CA GLN A 36 -1.721 -2.886 0.543 1.00 0.00 C ATOM 448 C GLN A 36 -2.878 -3.302 -0.354 1.00 0.00 C ATOM 449 O GLN A 36 -3.814 -3.957 0.100 1.00 0.00 O ATOM 450 CB GLN A 36 -0.987 -4.111 1.081 1.00 0.00 C ATOM 451 CG GLN A 36 -1.257 -5.307 0.172 1.00 0.00 C ATOM 452 CD GLN A 36 -0.700 -6.587 0.779 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.379 -7.253 1.557 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.540 -6.929 0.422 1.00 0.00 N ATOM 0 H GLN A 36 -2.830 -2.607 2.291 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.025 -2.291 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.084 -3.913 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.319 -4.330 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.330 -5.412 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.805 -5.136 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.064 -6.343 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.964 -7.777 0.799 1.00 0.00 H new ATOM 463 N CYS A 37 -2.813 -2.919 -1.631 1.00 0.00 N ATOM 464 CA CYS A 37 -3.852 -3.252 -2.584 1.00 0.00 C ATOM 465 C CYS A 37 -3.337 -4.299 -3.561 1.00 0.00 C ATOM 466 O CYS A 37 -2.154 -4.633 -3.550 1.00 0.00 O ATOM 467 CB CYS A 37 -4.287 -1.990 -3.324 1.00 0.00 C ATOM 468 SG CYS A 37 -5.264 -0.848 -2.316 1.00 0.00 S ATOM 0 H CYS A 37 -2.044 -2.375 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.714 -3.664 -2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.401 -1.470 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.870 -2.277 -4.199 1.00 0.00 H new ATOM 473 N ALA A 38 -4.229 -4.818 -4.408 1.00 0.00 N ATOM 474 CA ALA A 38 -3.861 -5.824 -5.385 1.00 0.00 C ATOM 475 C ALA A 38 -4.796 -5.745 -6.583 1.00 0.00 C ATOM 476 O ALA A 38 -6.012 -5.831 -6.431 1.00 0.00 O ATOM 477 CB ALA A 38 -3.925 -7.205 -4.739 1.00 0.00 C ATOM 0 H ALA A 38 -5.213 -4.551 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.843 -5.646 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.649 -7.963 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.234 -7.245 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.938 -7.395 -4.386 1.00 0.00 H new ATOM 483 N TRP A 39 -4.226 -5.580 -7.779 1.00 0.00 N ATOM 484 CA TRP A 39 -5.013 -5.492 -8.992 1.00 0.00 C ATOM 485 C TRP A 39 -5.715 -6.817 -9.252 1.00 0.00 C ATOM 486 O TRP A 39 -5.069 -7.860 -9.330 1.00 0.00 O ATOM 487 CB TRP A 39 -4.104 -5.124 -10.161 1.00 0.00 C ATOM 488 CG TRP A 39 -4.449 -5.782 -11.459 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.701 -6.052 -11.889 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.554 -6.264 -12.508 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.643 -6.663 -13.124 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.341 -6.819 -13.553 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.159 -6.289 -12.683 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -3.776 -7.368 -14.708 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.583 -6.838 -13.837 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.386 -7.377 -14.849 1.00 0.00 C ATOM 0 H TRP A 39 -3.219 -5.505 -7.924 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.773 -4.718 -8.880 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.134 -4.043 -10.299 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.078 -5.384 -9.900 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.608 -5.824 -11.349 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.461 -6.962 -13.654 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.520 -5.878 -11.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.406 -7.780 -15.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.509 -6.845 -13.946 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.933 -7.798 -15.735 1.00 0.00 H new ATOM 507 N VAL A 40 -7.043 -6.774 -9.385 1.00 0.00 N ATOM 508 CA VAL A 40 -7.826 -7.968 -9.634 1.00 0.00 C ATOM 509 C VAL A 40 -8.259 -8.004 -11.093 1.00 0.00 C ATOM 510 O VAL A 40 -8.186 -9.047 -11.738 1.00 0.00 O ATOM 511 CB VAL A 40 -9.039 -7.982 -8.709 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.587 -8.268 -7.280 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.733 -6.624 -8.760 1.00 0.00 C ATOM 0 H VAL A 40 -7.593 -5.917 -9.323 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.223 -8.853 -9.432 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.733 -8.758 -9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.454 -8.278 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.091 -9.238 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.893 -7.493 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.600 -6.633 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.039 -5.848 -8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.057 -6.419 -9.780 1.00 0.00 H new ATOM 523 N ASP A 41 -8.710 -6.860 -11.612 1.00 0.00 N ATOM 524 CA ASP A 41 -9.152 -6.767 -12.989 1.00 0.00 C ATOM 525 C ASP A 41 -8.744 -5.422 -13.571 1.00 0.00 C ATOM 526 O ASP A 41 -8.400 -4.502 -12.832 1.00 0.00 O ATOM 527 CB ASP A 41 -10.666 -6.946 -13.049 1.00 0.00 C ATOM 528 CG ASP A 41 -11.035 -8.197 -13.834 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.296 -8.503 -14.795 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.048 -8.825 -13.458 1.00 0.00 O ATOM 0 H ASP A 41 -8.776 -5.986 -11.090 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.683 -7.553 -13.580 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.068 -7.014 -12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.121 -6.072 -13.515 1.00 0.00 H new ATOM 535 N THR A 42 -8.783 -5.307 -14.901 1.00 0.00 N ATOM 536 CA THR A 42 -8.418 -4.074 -15.569 1.00 0.00 C ATOM 537 C THR A 42 -9.214 -2.914 -14.989 1.00 0.00 C ATOM 538 O THR A 42 -10.433 -2.859 -15.136 1.00 0.00 O ATOM 539 CB THR A 42 -8.676 -4.213 -17.067 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.628 -4.947 -17.658 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.748 -2.826 -17.701 1.00 0.00 C ATOM 0 H THR A 42 -9.065 -6.059 -15.530 1.00 0.00 H new ATOM 0 HA THR A 42 -7.358 -3.872 -15.413 1.00 0.00 H new ATOM 0 HB THR A 42 -9.619 -4.735 -17.227 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.794 -5.038 -18.620 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.932 -2.924 -18.771 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.559 -2.259 -17.244 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.805 -2.304 -17.542 1.00 0.00 H new ATOM 549 N GLY A 43 -8.522 -1.983 -14.328 1.00 0.00 N ATOM 550 CA GLY A 43 -9.171 -0.832 -13.733 1.00 0.00 C ATOM 551 C GLY A 43 -9.956 -1.250 -12.498 1.00 0.00 C ATOM 552 O GLY A 43 -10.697 -0.451 -11.930 1.00 0.00 O ATOM 0 H GLY A 43 -7.511 -2.012 -14.196 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.425 -0.084 -13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.840 -0.368 -14.458 1.00 0.00 H new ATOM 556 N VAL A 44 -9.792 -2.509 -12.083 1.00 0.00 N ATOM 557 CA VAL A 44 -10.485 -3.027 -10.920 1.00 0.00 C ATOM 558 C VAL A 44 -9.480 -3.631 -9.949 1.00 0.00 C ATOM 559 O VAL A 44 -8.952 -4.714 -10.193 1.00 0.00 O ATOM 560 CB VAL A 44 -11.506 -4.071 -11.361 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.412 -4.425 -10.185 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.350 -3.507 -12.500 1.00 0.00 C ATOM 0 H VAL A 44 -9.181 -3.184 -12.543 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.010 -2.217 -10.413 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.986 -4.966 -11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.142 -5.171 -10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.810 -4.827 -9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.932 -3.530 -9.844 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.080 -4.252 -12.816 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.870 -2.612 -12.159 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.704 -3.253 -13.340 1.00 0.00 H new ATOM 572 N LEU A 45 -9.216 -2.927 -8.846 1.00 0.00 N ATOM 573 CA LEU A 45 -8.278 -3.397 -7.845 1.00 0.00 C ATOM 574 C LEU A 45 -8.998 -3.608 -6.521 1.00 0.00 C ATOM 575 O LEU A 45 -10.098 -3.098 -6.322 1.00 0.00 O ATOM 576 CB LEU A 45 -7.150 -2.381 -7.691 1.00 0.00 C ATOM 577 CG LEU A 45 -7.603 -1.254 -6.767 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.328 -1.642 -5.317 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.837 0.021 -7.107 1.00 0.00 C ATOM 0 H LEU A 45 -9.645 -2.027 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.852 -4.350 -8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.263 -2.866 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.874 -1.978 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.671 -1.083 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.652 -0.837 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.876 -2.553 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.260 -1.814 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.160 0.826 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.769 -0.150 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.034 0.299 -8.142 1.00 0.00 H new ATOM 591 N ALA A 46 -8.373 -4.363 -5.615 1.00 0.00 N ATOM 592 CA ALA A 46 -8.956 -4.639 -4.317 1.00 0.00 C ATOM 593 C ALA A 46 -7.973 -4.258 -3.219 1.00 0.00 C ATOM 594 O ALA A 46 -6.763 -4.376 -3.399 1.00 0.00 O ATOM 595 CB ALA A 46 -9.320 -6.118 -4.228 1.00 0.00 C ATOM 0 H ALA A 46 -7.460 -4.792 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.862 -4.047 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.759 -6.327 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.040 -6.363 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.422 -6.722 -4.359 1.00 0.00 H new ATOM 601 N CYS A 47 -8.496 -3.800 -2.079 1.00 0.00 N ATOM 602 CA CYS A 47 -7.665 -3.405 -0.960 1.00 0.00 C ATOM 603 C CYS A 47 -7.790 -4.427 0.160 1.00 0.00 C ATOM 604 O CYS A 47 -8.789 -5.137 0.247 1.00 0.00 O ATOM 605 CB CYS A 47 -8.087 -2.020 -0.479 1.00 0.00 C ATOM 606 SG CYS A 47 -7.159 -0.663 -1.236 1.00 0.00 S ATOM 0 H CYS A 47 -9.497 -3.697 -1.915 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.622 -3.364 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.148 -1.882 -0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.966 -1.970 0.603 1.00 0.00 H new ATOM 611 N ASN A 48 -6.771 -4.502 1.020 1.00 0.00 N ATOM 612 CA ASN A 48 -6.774 -5.435 2.128 1.00 0.00 C ATOM 613 C ASN A 48 -6.809 -4.676 3.447 1.00 0.00 C ATOM 614 O ASN A 48 -5.805 -4.101 3.861 1.00 0.00 O ATOM 615 CB ASN A 48 -5.535 -6.322 2.047 1.00 0.00 C ATOM 616 CG ASN A 48 -5.460 -7.261 3.243 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.449 -7.452 3.947 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.284 -7.849 3.470 1.00 0.00 N ATOM 0 H ASN A 48 -5.934 -3.921 0.962 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.662 -6.065 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.558 -6.902 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.640 -5.701 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.177 -8.489 4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.492 -7.658 2.857 1.00 0.00 H new ATOM 625 N PRO A 49 -7.969 -4.676 4.106 1.00 0.00 N ATOM 626 CA PRO A 49 -8.187 -4.011 5.373 1.00 0.00 C ATOM 627 C PRO A 49 -7.477 -4.776 6.480 1.00 0.00 C ATOM 628 O PRO A 49 -7.540 -4.387 7.645 1.00 0.00 O ATOM 629 CB PRO A 49 -9.701 -4.038 5.573 1.00 0.00 C ATOM 630 CG PRO A 49 -10.116 -5.316 4.846 1.00 0.00 C ATOM 631 CD PRO A 49 -9.169 -5.342 3.648 1.00 0.00 C ATOM 0 HA PRO A 49 -7.798 -2.993 5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.969 -4.068 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.181 -3.157 5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.997 -6.197 5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.161 -5.285 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.958 -6.364 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.603 -4.828 2.790 1.00 0.00 H new ATOM 639 N ALA A 50 -6.800 -5.867 6.115 1.00 0.00 N ATOM 640 CA ALA A 50 -6.085 -6.681 7.077 1.00 0.00 C ATOM 641 C ALA A 50 -4.668 -6.151 7.248 1.00 0.00 C ATOM 642 O ALA A 50 -3.967 -6.539 8.180 1.00 0.00 O ATOM 643 CB ALA A 50 -6.066 -8.131 6.601 1.00 0.00 C ATOM 0 H ALA A 50 -6.737 -6.201 5.153 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.588 -6.636 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.528 -8.744 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.089 -8.496 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.567 -8.190 5.633 1.00 0.00 H new ATOM 649 N ASP A 51 -4.248 -5.263 6.345 1.00 0.00 N ATOM 650 CA ASP A 51 -2.919 -4.687 6.400 1.00 0.00 C ATOM 651 C ASP A 51 -3.015 -3.169 6.373 1.00 0.00 C ATOM 652 O ASP A 51 -2.101 -2.496 5.901 1.00 0.00 O ATOM 653 CB ASP A 51 -2.095 -5.198 5.221 1.00 0.00 C ATOM 654 CG ASP A 51 -2.815 -4.946 3.904 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.453 -3.876 3.802 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.713 -5.828 3.024 1.00 0.00 O ATOM 0 H ASP A 51 -4.818 -4.931 5.567 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.427 -4.984 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.124 -4.703 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.907 -6.265 5.339 1.00 0.00 H new ATOM 661 N PHE A 52 -4.125 -2.629 6.882 1.00 0.00 N ATOM 662 CA PHE A 52 -4.331 -1.195 6.912 1.00 0.00 C ATOM 663 C PHE A 52 -3.647 -0.601 8.136 1.00 0.00 C ATOM 664 O PHE A 52 -4.142 -0.735 9.252 1.00 0.00 O ATOM 665 CB PHE A 52 -5.827 -0.897 6.931 1.00 0.00 C ATOM 666 CG PHE A 52 -6.325 -0.228 5.672 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.476 0.615 4.945 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.634 -0.454 5.230 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.937 1.234 3.777 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.095 0.164 4.061 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.246 1.008 3.335 1.00 0.00 C ATOM 0 H PHE A 52 -4.892 -3.173 7.278 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.895 -0.742 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.373 -1.829 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.051 -0.258 7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.466 0.788 5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.288 -1.105 5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.283 1.886 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.105 -0.010 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.601 1.485 2.433 1.00 0.00 H new ATOM 681 N SER A 53 -2.505 0.058 7.922 1.00 0.00 N ATOM 682 CA SER A 53 -1.762 0.669 9.006 1.00 0.00 C ATOM 683 C SER A 53 -2.018 2.169 9.027 1.00 0.00 C ATOM 684 O SER A 53 -2.724 2.693 8.168 1.00 0.00 O ATOM 685 CB SER A 53 -0.275 0.376 8.831 1.00 0.00 C ATOM 686 OG SER A 53 0.414 0.720 10.012 1.00 0.00 O ATOM 0 H SER A 53 -2.081 0.177 7.002 1.00 0.00 H new ATOM 0 HA SER A 53 -2.091 0.252 9.958 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.126 -0.680 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.121 0.942 7.988 1.00 0.00 H new ATOM 0 HG SER A 53 1.369 0.530 9.901 1.00 0.00 H new ATOM 692 N SER A 54 -1.441 2.861 10.012 1.00 0.00 N ATOM 693 CA SER A 54 -1.607 4.295 10.137 1.00 0.00 C ATOM 694 C SER A 54 -0.336 4.915 10.700 1.00 0.00 C ATOM 695 O SER A 54 0.414 4.256 11.416 1.00 0.00 O ATOM 696 CB SER A 54 -2.800 4.590 11.042 1.00 0.00 C ATOM 697 OG SER A 54 -2.385 4.565 12.389 1.00 0.00 O ATOM 0 H SER A 54 -0.854 2.442 10.733 1.00 0.00 H new ATOM 0 HA SER A 54 -1.795 4.731 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.223 5.565 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.585 3.852 10.878 1.00 0.00 H new ATOM 0 HG SER A 54 -3.150 4.756 12.971 1.00 0.00 H new ATOM 703 N VAL A 55 -0.097 6.188 10.375 1.00 0.00 N ATOM 704 CA VAL A 55 1.078 6.891 10.848 1.00 0.00 C ATOM 705 C VAL A 55 0.927 8.382 10.585 1.00 0.00 C ATOM 706 O VAL A 55 0.223 8.783 9.661 1.00 0.00 O ATOM 707 CB VAL A 55 2.316 6.340 10.147 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.155 6.491 8.637 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.548 7.115 10.607 1.00 0.00 C ATOM 0 H VAL A 55 -0.711 6.747 9.783 1.00 0.00 H new ATOM 0 HA VAL A 55 1.189 6.741 11.922 1.00 0.00 H new ATOM 0 HB VAL A 55 2.436 5.286 10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.039 6.098 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.275 5.938 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.035 7.545 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.433 6.722 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.429 8.169 10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.663 7.008 11.686 1.00 0.00 H new ATOM 719 N THR A 56 1.590 9.205 11.401 1.00 0.00 N ATOM 720 CA THR A 56 1.524 10.644 11.248 1.00 0.00 C ATOM 721 C THR A 56 2.923 11.211 11.058 1.00 0.00 C ATOM 722 O THR A 56 3.867 10.774 11.713 1.00 0.00 O ATOM 723 CB THR A 56 0.856 11.255 12.477 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.363 10.592 12.728 1.00 0.00 O ATOM 725 CG2 THR A 56 0.586 12.736 12.226 1.00 0.00 C ATOM 0 H THR A 56 2.177 8.890 12.173 1.00 0.00 H new ATOM 0 HA THR A 56 0.932 10.891 10.367 1.00 0.00 H new ATOM 0 HB THR A 56 1.514 11.146 13.339 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.791 10.983 13.518 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.109 13.173 13.103 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.528 13.250 12.031 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.072 12.845 11.364 1.00 0.00 H new ATOM 733 N ALA A 57 3.055 12.187 10.157 1.00 0.00 N ATOM 734 CA ALA A 57 4.336 12.807 9.884 1.00 0.00 C ATOM 735 C ALA A 57 4.637 13.857 10.945 1.00 0.00 C ATOM 736 O ALA A 57 3.736 14.556 11.402 1.00 0.00 O ATOM 737 CB ALA A 57 4.310 13.435 8.494 1.00 0.00 C ATOM 0 H ALA A 57 2.282 12.560 9.606 1.00 0.00 H new ATOM 0 HA ALA A 57 5.123 12.054 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.273 13.902 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.114 12.663 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.524 14.189 8.450 1.00 0.00 H new ATOM 743 N ASP A 58 5.909 13.966 11.335 1.00 0.00 N ATOM 744 CA ASP A 58 6.320 14.927 12.339 1.00 0.00 C ATOM 745 C ASP A 58 6.459 16.304 11.707 1.00 0.00 C ATOM 746 O ASP A 58 6.071 16.503 10.558 1.00 0.00 O ATOM 747 CB ASP A 58 7.642 14.480 12.958 1.00 0.00 C ATOM 748 CG ASP A 58 8.739 14.408 11.905 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.407 14.643 10.723 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.888 14.119 12.302 1.00 0.00 O ATOM 0 H ASP A 58 6.668 13.395 10.964 1.00 0.00 H new ATOM 0 HA ASP A 58 5.567 14.984 13.125 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.933 15.176 13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.517 13.504 13.426 1.00 0.00 H new ATOM 755 N ALA A 59 7.014 17.256 12.460 1.00 0.00 N ATOM 756 CA ALA A 59 7.200 18.607 11.971 1.00 0.00 C ATOM 757 C ALA A 59 8.146 18.599 10.779 1.00 0.00 C ATOM 758 O ALA A 59 8.137 19.524 9.971 1.00 0.00 O ATOM 759 CB ALA A 59 7.751 19.482 13.094 1.00 0.00 C ATOM 0 H ALA A 59 7.341 17.106 13.414 1.00 0.00 H new ATOM 0 HA ALA A 59 6.243 19.015 11.646 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.891 20.499 12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.048 19.490 13.927 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.708 19.082 13.431 1.00 0.00 H new ATOM 765 N ASN A 60 8.964 17.549 10.672 1.00 0.00 N ATOM 766 CA ASN A 60 9.910 17.428 9.580 1.00 0.00 C ATOM 767 C ASN A 60 9.209 16.879 8.346 1.00 0.00 C ATOM 768 O ASN A 60 9.850 16.617 7.330 1.00 0.00 O ATOM 769 CB ASN A 60 11.057 16.514 10.002 1.00 0.00 C ATOM 770 CG ASN A 60 12.389 17.247 9.932 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.808 17.869 10.905 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.055 17.170 8.778 1.00 0.00 N ATOM 0 H ASN A 60 8.984 16.773 11.334 1.00 0.00 H new ATOM 0 HA ASN A 60 10.315 18.410 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.887 16.156 11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.085 15.637 9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.954 17.640 8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.665 16.641 7.998 1.00 0.00 H new ATOM 779 N GLY A 61 7.889 16.705 8.434 1.00 0.00 N ATOM 780 CA GLY A 61 7.113 16.190 7.323 1.00 0.00 C ATOM 781 C GLY A 61 7.600 14.799 6.941 1.00 0.00 C ATOM 782 O GLY A 61 7.529 14.411 5.777 1.00 0.00 O ATOM 0 H GLY A 61 7.341 16.916 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.058 16.152 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.199 16.861 6.468 1.00 0.00 H new ATOM 786 N SER A 62 8.095 14.047 7.927 1.00 0.00 N ATOM 787 CA SER A 62 8.589 12.705 7.690 1.00 0.00 C ATOM 788 C SER A 62 7.880 11.723 8.612 1.00 0.00 C ATOM 789 O SER A 62 7.767 11.965 9.812 1.00 0.00 O ATOM 790 CB SER A 62 10.097 12.671 7.921 1.00 0.00 C ATOM 791 OG SER A 62 10.624 11.471 7.401 1.00 0.00 O ATOM 0 H SER A 62 8.161 14.354 8.898 1.00 0.00 H new ATOM 0 HA SER A 62 8.386 12.416 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.569 13.527 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.314 12.745 8.987 1.00 0.00 H new ATOM 0 HG SER A 62 10.073 11.171 6.648 1.00 0.00 H new ATOM 797 N ALA A 63 7.402 10.612 8.048 1.00 0.00 N ATOM 798 CA ALA A 63 6.708 9.600 8.819 1.00 0.00 C ATOM 799 C ALA A 63 7.434 8.269 8.695 1.00 0.00 C ATOM 800 O ALA A 63 8.264 8.092 7.806 1.00 0.00 O ATOM 801 CB ALA A 63 5.270 9.481 8.321 1.00 0.00 C ATOM 0 H ALA A 63 7.488 10.397 7.055 1.00 0.00 H new ATOM 0 HA ALA A 63 6.692 9.885 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.746 8.720 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.764 10.439 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.272 9.199 7.268 1.00 0.00 H new ATOM 807 N SER A 64 7.120 7.330 9.591 1.00 0.00 N ATOM 808 CA SER A 64 7.743 6.022 9.576 1.00 0.00 C ATOM 809 C SER A 64 6.749 4.970 10.048 1.00 0.00 C ATOM 810 O SER A 64 6.045 5.178 11.034 1.00 0.00 O ATOM 811 CB SER A 64 8.980 6.038 10.470 1.00 0.00 C ATOM 812 OG SER A 64 8.660 5.476 11.723 1.00 0.00 O ATOM 0 H SER A 64 6.434 7.461 10.335 1.00 0.00 H new ATOM 0 HA SER A 64 8.049 5.773 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.788 5.475 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.337 7.060 10.598 1.00 0.00 H new ATOM 0 HG SER A 64 9.454 5.484 12.298 1.00 0.00 H new ATOM 818 N THR A 65 6.694 3.838 9.343 1.00 0.00 N ATOM 819 CA THR A 65 5.788 2.764 9.698 1.00 0.00 C ATOM 820 C THR A 65 6.175 1.493 8.956 1.00 0.00 C ATOM 821 O THR A 65 6.947 1.539 8.001 1.00 0.00 O ATOM 822 CB THR A 65 4.358 3.174 9.360 1.00 0.00 C ATOM 823 OG1 THR A 65 3.612 3.304 10.549 1.00 0.00 O ATOM 824 CG2 THR A 65 3.719 2.108 8.474 1.00 0.00 C ATOM 0 H THR A 65 7.271 3.649 8.523 1.00 0.00 H new ATOM 0 HA THR A 65 5.853 2.568 10.768 1.00 0.00 H new ATOM 0 HB THR A 65 4.369 4.127 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.076 3.912 11.162 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.697 2.400 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.295 2.007 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.708 1.155 9.002 1.00 0.00 H new ATOM 832 N SER A 66 5.634 0.355 9.398 1.00 0.00 N ATOM 833 CA SER A 66 5.924 -0.920 8.774 1.00 0.00 C ATOM 834 C SER A 66 4.630 -1.571 8.304 1.00 0.00 C ATOM 835 O SER A 66 3.698 -1.740 9.087 1.00 0.00 O ATOM 836 CB SER A 66 6.651 -1.819 9.769 1.00 0.00 C ATOM 837 OG SER A 66 8.039 -1.762 9.526 1.00 0.00 O ATOM 0 H SER A 66 4.992 0.300 10.189 1.00 0.00 H new ATOM 0 HA SER A 66 6.566 -0.767 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.436 -1.500 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.296 -2.845 9.675 1.00 0.00 H new ATOM 0 HG SER A 66 8.507 -2.338 10.166 1.00 0.00 H new ATOM 843 N LEU A 67 4.576 -1.937 7.021 1.00 0.00 N ATOM 844 CA LEU A 67 3.400 -2.567 6.455 1.00 0.00 C ATOM 845 C LEU A 67 3.579 -4.079 6.445 1.00 0.00 C ATOM 846 O LEU A 67 4.704 -4.573 6.435 1.00 0.00 O ATOM 847 CB LEU A 67 3.173 -2.041 5.041 1.00 0.00 C ATOM 848 CG LEU A 67 1.678 -2.038 4.734 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.314 -0.757 3.988 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.334 -3.246 3.867 1.00 0.00 C ATOM 0 H LEU A 67 5.341 -1.803 6.359 1.00 0.00 H new ATOM 0 HA LEU A 67 2.527 -2.328 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.577 -1.033 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.702 -2.664 4.320 1.00 0.00 H new ATOM 0 HG LEU A 67 1.116 -2.088 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.246 -0.755 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.559 0.106 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.876 -0.707 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.266 -3.244 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.896 -3.196 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.593 -4.161 4.399 1.00 0.00 H new ATOM 862 N THR A 68 2.465 -4.814 6.447 1.00 0.00 N ATOM 863 CA THR A 68 2.508 -6.262 6.437 1.00 0.00 C ATOM 864 C THR A 68 2.176 -6.781 5.045 1.00 0.00 C ATOM 865 O THR A 68 1.087 -6.536 4.531 1.00 0.00 O ATOM 866 CB THR A 68 1.522 -6.807 7.466 1.00 0.00 C ATOM 867 OG1 THR A 68 1.491 -8.214 7.388 1.00 0.00 O ATOM 868 CG2 THR A 68 0.129 -6.251 7.180 1.00 0.00 C ATOM 0 H THR A 68 1.524 -4.421 6.456 1.00 0.00 H new ATOM 0 HA THR A 68 3.511 -6.600 6.698 1.00 0.00 H new ATOM 0 HB THR A 68 1.836 -6.505 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.442 -8.591 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.576 -6.640 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.152 -5.163 7.240 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.185 -6.553 6.181 1.00 0.00 H new ATOM 876 N VAL A 69 3.121 -7.502 4.436 1.00 0.00 N ATOM 877 CA VAL A 69 2.926 -8.052 3.109 1.00 0.00 C ATOM 878 C VAL A 69 2.189 -9.380 3.206 1.00 0.00 C ATOM 879 O VAL A 69 2.593 -10.264 3.959 1.00 0.00 O ATOM 880 CB VAL A 69 4.281 -8.234 2.431 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.221 -9.429 1.485 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.626 -6.976 1.640 1.00 0.00 C ATOM 0 H VAL A 69 4.029 -7.714 4.850 1.00 0.00 H new ATOM 0 HA VAL A 69 2.324 -7.367 2.511 1.00 0.00 H new ATOM 0 HB VAL A 69 5.045 -8.409 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.189 -9.559 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.974 -10.328 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.457 -9.255 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.594 -7.105 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.861 -6.801 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.670 -6.122 2.316 1.00 0.00 H new ATOM 892 N ARG A 70 1.104 -9.520 2.440 1.00 0.00 N ATOM 893 CA ARG A 70 0.317 -10.736 2.444 1.00 0.00 C ATOM 894 C ARG A 70 0.316 -11.354 1.052 1.00 0.00 C ATOM 895 O ARG A 70 0.537 -10.659 0.063 1.00 0.00 O ATOM 896 CB ARG A 70 -1.106 -10.419 2.894 1.00 0.00 C ATOM 897 CG ARG A 70 -1.218 -10.619 4.403 1.00 0.00 C ATOM 898 CD ARG A 70 0.018 -10.042 5.087 1.00 0.00 C ATOM 899 NE ARG A 70 -0.239 -9.781 6.503 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.062 -10.707 7.455 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.369 -11.933 7.126 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.315 -10.408 8.737 1.00 0.00 N ATOM 0 H ARG A 70 0.757 -8.797 1.809 1.00 0.00 H new ATOM 0 HA ARG A 70 0.753 -11.453 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.361 -9.392 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.815 -11.066 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.116 -10.130 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.312 -11.680 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.851 -10.738 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.314 -9.117 4.591 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.567 -8.855 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.562 -12.161 6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.504 -12.638 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.642 -9.475 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.180 -11.113 9.461 1.00 0.00 H new ATOM 916 N ARG A 71 0.066 -12.663 0.979 1.00 0.00 N ATOM 917 CA ARG A 71 0.039 -13.367 -0.287 1.00 0.00 C ATOM 918 C ARG A 71 -1.376 -13.363 -0.849 1.00 0.00 C ATOM 919 O ARG A 71 -1.566 -13.475 -2.058 1.00 0.00 O ATOM 920 CB ARG A 71 0.536 -14.795 -0.085 1.00 0.00 C ATOM 921 CG ARG A 71 -0.391 -15.524 0.883 1.00 0.00 C ATOM 922 CD ARG A 71 -0.267 -17.030 0.668 1.00 0.00 C ATOM 923 NE ARG A 71 -1.586 -17.654 0.556 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.752 -18.969 0.357 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.684 -19.771 0.254 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.987 -19.481 0.261 1.00 0.00 N ATOM 0 H ARG A 71 -0.120 -13.252 1.791 1.00 0.00 H new ATOM 0 HA ARG A 71 0.694 -12.866 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.567 -15.319 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.553 -14.785 0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.133 -15.270 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.422 -15.207 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.310 -17.226 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.281 -17.476 1.498 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.414 -17.063 0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.256 -19.381 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.810 -20.772 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.800 -18.870 0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.114 -20.482 0.110 1.00 0.00 H new ATOM 940 N SER A 72 -2.370 -13.233 0.033 1.00 0.00 N ATOM 941 CA SER A 72 -3.759 -13.214 -0.379 1.00 0.00 C ATOM 942 C SER A 72 -4.599 -12.499 0.670 1.00 0.00 C ATOM 943 O SER A 72 -4.289 -12.550 1.858 1.00 0.00 O ATOM 944 CB SER A 72 -4.248 -14.645 -0.580 1.00 0.00 C ATOM 945 OG SER A 72 -3.163 -15.464 -0.953 1.00 0.00 O ATOM 0 H SER A 72 -2.229 -13.140 1.039 1.00 0.00 H new ATOM 0 HA SER A 72 -3.856 -12.675 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.700 -15.018 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.020 -14.672 -1.349 1.00 0.00 H new ATOM 0 HG SER A 72 -3.476 -16.384 -1.081 1.00 0.00 H new ATOM 951 N PHE A 73 -5.667 -11.832 0.228 1.00 0.00 N ATOM 952 CA PHE A 73 -6.545 -11.113 1.129 1.00 0.00 C ATOM 953 C PHE A 73 -7.743 -10.571 0.362 1.00 0.00 C ATOM 954 O PHE A 73 -7.654 -10.327 -0.839 1.00 0.00 O ATOM 955 CB PHE A 73 -5.770 -9.979 1.795 1.00 0.00 C ATOM 956 CG PHE A 73 -4.857 -9.237 0.849 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.398 -8.501 -0.213 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.470 -9.285 1.031 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.552 -7.814 -1.091 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.624 -8.598 0.153 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.165 -7.863 -0.908 1.00 0.00 C ATOM 0 H PHE A 73 -5.938 -11.780 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.911 -11.789 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.477 -9.274 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.178 -10.386 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.468 -8.464 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.052 -9.853 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.969 -7.246 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.554 -8.635 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.512 -7.333 -1.586 1.00 0.00 H new ATOM 971 N GLU A 74 -8.866 -10.383 1.059 1.00 0.00 N ATOM 972 CA GLU A 74 -10.071 -9.871 0.439 1.00 0.00 C ATOM 973 C GLU A 74 -9.772 -8.558 -0.271 1.00 0.00 C ATOM 974 O GLU A 74 -9.430 -7.567 0.370 1.00 0.00 O ATOM 975 CB GLU A 74 -11.147 -9.677 1.504 1.00 0.00 C ATOM 976 CG GLU A 74 -10.727 -8.559 2.453 1.00 0.00 C ATOM 977 CD GLU A 74 -10.920 -8.977 3.904 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.017 -9.495 4.204 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.966 -8.770 4.685 1.00 0.00 O ATOM 0 H GLU A 74 -8.957 -10.581 2.055 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.434 -10.585 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.099 -9.431 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.296 -10.603 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.682 -8.303 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.313 -7.663 2.248 1.00 0.00 H new ATOM 986 N GLY A 75 -9.904 -8.552 -1.599 1.00 0.00 N ATOM 987 CA GLY A 75 -9.647 -7.360 -2.384 1.00 0.00 C ATOM 988 C GLY A 75 -10.736 -6.324 -2.141 1.00 0.00 C ATOM 989 O GLY A 75 -11.825 -6.421 -2.703 1.00 0.00 O ATOM 0 H GLY A 75 -10.188 -9.364 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.675 -6.945 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.608 -7.615 -3.443 1.00 0.00 H new ATOM 993 N PHE A 76 -10.439 -5.331 -1.300 1.00 0.00 N ATOM 994 CA PHE A 76 -11.393 -4.285 -0.989 1.00 0.00 C ATOM 995 C PHE A 76 -11.350 -3.209 -2.065 1.00 0.00 C ATOM 996 O PHE A 76 -10.467 -2.354 -2.056 1.00 0.00 O ATOM 997 CB PHE A 76 -11.068 -3.694 0.380 1.00 0.00 C ATOM 998 CG PHE A 76 -12.109 -4.000 1.431 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.552 -5.315 1.615 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.628 -2.969 2.223 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.516 -5.599 2.590 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.591 -3.253 3.199 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.035 -4.568 3.382 1.00 0.00 C ATOM 0 H PHE A 76 -9.541 -5.237 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.400 -4.702 -0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.104 -4.078 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.966 -2.613 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.150 -6.111 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.286 -1.955 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.859 -6.613 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.991 -2.458 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.778 -4.787 4.134 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.306 -3.254 -2.995 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.373 -2.286 -4.072 1.00 0.00 C ATOM 1015 C LEU A 77 -12.495 -0.882 -3.497 1.00 0.00 C ATOM 1016 O LEU A 77 -13.328 -0.635 -2.628 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.564 -2.607 -4.970 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.074 -1.323 -5.617 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.981 -0.729 -6.500 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.303 -1.634 -6.467 1.00 0.00 C ATOM 0 H LEU A 77 -13.044 -3.957 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.461 -2.336 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.271 -3.323 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.358 -3.073 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.342 -0.607 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.345 0.188 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.104 -0.506 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.712 -1.445 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.667 -0.717 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.036 -2.351 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.084 -2.057 -5.836 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.661 0.039 -3.984 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.681 1.410 -3.517 1.00 0.00 C ATOM 1034 C PHE A 78 -13.113 1.926 -3.492 1.00 0.00 C ATOM 1035 O PHE A 78 -13.482 2.698 -2.609 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.812 2.270 -4.430 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.386 2.450 -5.815 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.461 3.324 -6.019 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.845 1.741 -6.894 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.994 3.489 -7.303 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -11.379 1.907 -8.178 1.00 0.00 C ATOM 1042 CZ PHE A 78 -12.453 2.781 -8.382 1.00 0.00 C ATOM 0 H PHE A 78 -10.964 -0.150 -4.704 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.281 1.459 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.676 3.250 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.824 1.816 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.879 3.870 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.016 1.066 -6.736 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.823 4.163 -7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -10.962 1.360 -9.011 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.864 2.909 -9.372 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.921 1.498 -4.464 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.305 1.918 -4.549 1.00 0.00 C ATOM 1054 C ASP A 79 -16.035 1.547 -3.266 1.00 0.00 C ATOM 1055 O ASP A 79 -17.118 2.062 -2.995 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.964 1.257 -5.757 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.999 2.180 -6.384 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.570 3.198 -6.971 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.199 1.851 -6.265 1.00 0.00 O ATOM 0 H ASP A 79 -13.631 0.858 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.354 3.000 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.205 1.001 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.439 0.325 -5.452 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.441 0.651 -2.475 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.041 0.220 -1.228 1.00 0.00 C ATOM 1066 C GLY A 80 -16.809 -1.078 -1.433 1.00 0.00 C ATOM 1067 O GLY A 80 -17.768 -1.355 -0.716 1.00 0.00 O ATOM 0 H GLY A 80 -14.543 0.214 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.267 0.077 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.712 0.993 -0.853 1.00 0.00 H new ATOM 1071 N THR A 81 -16.384 -1.876 -2.416 1.00 0.00 N ATOM 1072 CA THR A 81 -17.034 -3.138 -2.706 1.00 0.00 C ATOM 1073 C THR A 81 -16.076 -4.289 -2.436 1.00 0.00 C ATOM 1074 O THR A 81 -14.862 -4.128 -2.543 1.00 0.00 O ATOM 1075 CB THR A 81 -17.495 -3.149 -4.161 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.695 -2.417 -4.279 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.731 -4.588 -4.610 1.00 0.00 C ATOM 0 H THR A 81 -15.591 -1.662 -3.020 1.00 0.00 H new ATOM 0 HA THR A 81 -17.904 -3.258 -2.061 1.00 0.00 H new ATOM 0 HB THR A 81 -16.728 -2.694 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.991 -2.422 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.060 -4.596 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.804 -5.154 -4.519 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.498 -5.044 -3.983 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.625 -5.454 -2.086 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.820 -6.625 -1.802 1.00 0.00 C ATOM 1087 C ARG A 82 -15.591 -7.416 -3.082 1.00 0.00 C ATOM 1088 O ARG A 82 -16.446 -8.196 -3.493 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.524 -7.483 -0.755 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.903 -7.887 -1.271 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.960 -7.535 -0.228 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.573 -8.742 0.326 1.00 0.00 N ATOM 1093 CZ ARG A 82 -18.993 -9.476 1.286 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.801 -9.112 1.779 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.604 -10.573 1.752 1.00 0.00 N ATOM 0 H ARG A 82 -17.630 -5.603 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.850 -6.318 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.930 -8.371 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.621 -6.929 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.117 -7.374 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.926 -8.956 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.505 -6.953 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.728 -6.908 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.481 -9.038 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.336 -8.277 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.359 -9.670 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.511 -10.850 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.162 -11.131 2.482 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.432 -7.213 -3.712 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.100 -7.911 -4.939 1.00 0.00 C ATOM 1111 C TRP A 83 -14.009 -9.407 -4.675 1.00 0.00 C ATOM 1112 O TRP A 83 -14.693 -10.197 -5.322 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.780 -7.376 -5.486 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.797 -7.026 -6.939 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -13.005 -5.790 -7.442 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.602 -7.898 -8.094 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.953 -5.836 -8.819 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.707 -7.115 -9.275 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -12.348 -9.271 -8.264 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.567 -7.662 -10.554 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -12.206 -9.829 -9.543 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.315 -9.030 -10.687 1.00 0.00 C ATOM 0 H TRP A 83 -13.712 -6.568 -3.386 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.881 -7.742 -5.681 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.500 -6.490 -4.917 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.004 -8.122 -5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.185 -4.901 -6.855 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -13.080 -5.026 -9.425 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -12.261 -9.906 -7.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.653 -7.035 -11.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -12.011 -10.886 -9.646 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.205 -9.469 -11.668 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.160 -9.796 -3.721 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.986 -11.194 -3.381 1.00 0.00 C ATOM 1135 C GLY A 84 -11.547 -11.461 -2.964 1.00 0.00 C ATOM 1136 O GLY A 84 -10.692 -10.585 -3.079 1.00 0.00 O ATOM 0 H GLY A 84 -12.585 -9.155 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.663 -11.465 -2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.246 -11.818 -4.236 1.00 0.00 H new ATOM 1140 N THR A 85 -11.279 -12.676 -2.479 1.00 0.00 N ATOM 1141 CA THR A 85 -9.946 -13.047 -2.050 1.00 0.00 C ATOM 1142 C THR A 85 -8.958 -12.840 -3.189 1.00 0.00 C ATOM 1143 O THR A 85 -8.961 -13.591 -4.162 1.00 0.00 O ATOM 1144 CB THR A 85 -9.947 -14.504 -1.594 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.245 -14.864 -1.176 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.973 -14.674 -0.433 1.00 0.00 C ATOM 0 H THR A 85 -11.975 -13.415 -2.377 1.00 0.00 H new ATOM 0 HA THR A 85 -9.642 -12.417 -1.214 1.00 0.00 H new ATOM 0 HB THR A 85 -9.641 -15.144 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.247 -15.800 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.973 -15.714 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.970 -14.395 -0.756 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.279 -14.034 0.395 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.110 -11.816 -3.064 1.00 0.00 N ATOM 1155 CA VAL A 86 -7.122 -11.514 -4.080 1.00 0.00 C ATOM 1156 C VAL A 86 -5.866 -12.339 -3.838 1.00 0.00 C ATOM 1157 O VAL A 86 -5.525 -12.632 -2.694 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.803 -10.022 -4.050 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.675 -9.723 -5.033 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -8.045 -9.229 -4.446 1.00 0.00 C ATOM 0 H VAL A 86 -8.095 -11.185 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.516 -11.768 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.494 -9.737 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.447 -8.657 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.787 -10.290 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.984 -10.008 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.818 -8.163 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.354 -9.514 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.852 -9.442 -3.745 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.178 -12.714 -4.919 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.967 -13.502 -4.818 1.00 0.00 C ATOM 1172 C ASP A 87 -2.760 -12.637 -5.152 1.00 0.00 C ATOM 1173 O ASP A 87 -2.366 -12.540 -6.312 1.00 0.00 O ATOM 1174 CB ASP A 87 -4.057 -14.695 -5.766 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.767 -15.865 -5.101 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.025 -15.755 -3.883 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.040 -16.848 -5.824 1.00 0.00 O ATOM 0 H ASP A 87 -5.448 -12.479 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.853 -13.872 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.592 -14.406 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.056 -14.998 -6.071 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.173 -12.008 -4.131 1.00 0.00 N ATOM 1183 CA CYS A 88 -1.017 -11.155 -4.320 1.00 0.00 C ATOM 1184 C CYS A 88 0.065 -11.916 -5.075 1.00 0.00 C ATOM 1185 O CYS A 88 0.905 -11.310 -5.737 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.502 -10.688 -2.962 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.643 -8.903 -2.697 1.00 0.00 S ATOM 0 H CYS A 88 -2.488 -12.080 -3.163 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.297 -10.280 -4.907 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.054 -11.206 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.544 -10.979 -2.862 1.00 0.00 H new ATOM 1192 N THR A 89 0.044 -13.247 -4.973 1.00 0.00 N ATOM 1193 CA THR A 89 1.022 -14.077 -5.647 1.00 0.00 C ATOM 1194 C THR A 89 0.667 -14.204 -7.122 1.00 0.00 C ATOM 1195 O THR A 89 1.405 -14.817 -7.890 1.00 0.00 O ATOM 1196 CB THR A 89 1.067 -15.449 -4.982 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.188 -16.077 -5.115 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.400 -15.287 -3.502 1.00 0.00 C ATOM 0 H THR A 89 -0.644 -13.766 -4.427 1.00 0.00 H new ATOM 0 HA THR A 89 2.007 -13.617 -5.571 1.00 0.00 H new ATOM 0 HB THR A 89 1.832 -16.060 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.159 -16.959 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.432 -16.267 -3.027 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.370 -14.802 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.636 -14.676 -3.022 1.00 0.00 H new ATOM 1206 N THR A 90 -0.467 -13.620 -7.517 1.00 0.00 N ATOM 1207 CA THR A 90 -0.909 -13.672 -8.895 1.00 0.00 C ATOM 1208 C THR A 90 -0.925 -12.271 -9.488 1.00 0.00 C ATOM 1209 O THR A 90 -0.794 -12.104 -10.699 1.00 0.00 O ATOM 1210 CB THR A 90 -2.298 -14.301 -8.960 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.176 -15.687 -9.190 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.093 -13.665 -10.096 1.00 0.00 C ATOM 0 H THR A 90 -1.090 -13.107 -6.894 1.00 0.00 H new ATOM 0 HA THR A 90 -0.219 -14.283 -9.477 1.00 0.00 H new ATOM 0 HB THR A 90 -2.817 -14.133 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.068 -16.092 -9.230 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.085 -14.115 -10.142 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.188 -12.594 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.575 -13.832 -11.040 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.084 -11.261 -8.630 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.117 -9.881 -9.071 1.00 0.00 C ATOM 1222 C ALA A 91 -0.043 -9.083 -8.345 1.00 0.00 C ATOM 1223 O ALA A 91 0.692 -9.629 -7.526 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.500 -9.295 -8.802 1.00 0.00 C ATOM 0 H ALA A 91 -1.192 -11.383 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.918 -9.832 -10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.526 -8.257 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.250 -9.869 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.713 -9.340 -7.734 1.00 0.00 H new ATOM 1230 N ALA A 92 0.046 -7.785 -8.649 1.00 0.00 N ATOM 1231 CA ALA A 92 1.029 -6.921 -8.027 1.00 0.00 C ATOM 1232 C ALA A 92 0.399 -6.187 -6.852 1.00 0.00 C ATOM 1233 O ALA A 92 -0.727 -5.704 -6.950 1.00 0.00 O ATOM 1234 CB ALA A 92 1.561 -5.932 -9.061 1.00 0.00 C ATOM 0 H ALA A 92 -0.557 -7.317 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 92 1.861 -7.518 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.301 -5.281 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.025 -6.478 -9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.738 -5.329 -9.445 1.00 0.00 H new ATOM 1240 N CYS A 93 1.130 -6.104 -5.737 1.00 0.00 N ATOM 1241 CA CYS A 93 0.641 -5.431 -4.551 1.00 0.00 C ATOM 1242 C CYS A 93 1.290 -4.059 -4.433 1.00 0.00 C ATOM 1243 O CYS A 93 2.272 -3.774 -5.115 1.00 0.00 O ATOM 1244 CB CYS A 93 0.949 -6.282 -3.322 1.00 0.00 C ATOM 1245 SG CYS A 93 1.147 -8.045 -3.679 1.00 0.00 S ATOM 0 H CYS A 93 2.065 -6.499 -5.640 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.438 -5.296 -4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.862 -5.911 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.146 -6.157 -2.595 1.00 0.00 H new ATOM 1250 N GLN A 94 0.738 -3.208 -3.565 1.00 0.00 N ATOM 1251 CA GLN A 94 1.264 -1.873 -3.365 1.00 0.00 C ATOM 1252 C GLN A 94 0.606 -1.235 -2.149 1.00 0.00 C ATOM 1253 O GLN A 94 -0.618 -1.202 -2.050 1.00 0.00 O ATOM 1254 CB GLN A 94 1.014 -1.037 -4.616 1.00 0.00 C ATOM 1255 CG GLN A 94 1.418 0.411 -4.351 1.00 0.00 C ATOM 1256 CD GLN A 94 0.403 1.375 -4.948 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.667 2.002 -5.972 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.761 1.493 -4.305 1.00 0.00 N ATOM 0 H GLN A 94 -0.076 -3.429 -2.992 1.00 0.00 H new ATOM 0 HA GLN A 94 2.338 -1.924 -3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.585 -1.437 -5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.039 -1.087 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.498 0.580 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.402 0.602 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.933 0.951 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.478 2.125 -4.660 1.00 0.00 H new ATOM 1267 N VAL A 95 1.423 -0.727 -1.224 1.00 0.00 N ATOM 1268 CA VAL A 95 0.919 -0.094 -0.022 1.00 0.00 C ATOM 1269 C VAL A 95 0.775 1.404 -0.252 1.00 0.00 C ATOM 1270 O VAL A 95 1.328 1.943 -1.207 1.00 0.00 O ATOM 1271 CB VAL A 95 1.869 -0.375 1.138 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.692 0.695 2.212 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.557 -1.746 1.730 1.00 0.00 C ATOM 0 H VAL A 95 2.440 -0.746 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.062 -0.500 0.225 1.00 0.00 H new ATOM 0 HB VAL A 95 2.897 -0.360 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.371 0.494 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.915 1.675 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.664 0.681 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.236 -1.947 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.529 -1.761 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.684 -2.511 0.964 1.00 0.00 H new ATOM 1283 N GLY A 96 0.030 2.077 0.628 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.179 3.506 0.513 1.00 0.00 C ATOM 1285 C GLY A 96 -0.856 4.044 1.766 1.00 0.00 C ATOM 1286 O GLY A 96 -1.392 3.276 2.562 1.00 0.00 O ATOM 0 H GLY A 96 -0.436 1.646 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.776 4.009 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.793 3.721 -0.361 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.830 5.367 1.939 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.439 6.000 3.091 1.00 0.00 C ATOM 1292 C LEU A 97 -2.797 6.572 2.709 1.00 0.00 C ATOM 1293 O LEU A 97 -3.078 6.776 1.530 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.518 7.099 3.614 1.00 0.00 C ATOM 1295 CG LEU A 97 0.421 6.517 4.666 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.613 5.860 3.977 1.00 0.00 C ATOM 1297 CD2 LEU A 97 0.915 7.635 5.581 1.00 0.00 C ATOM 0 H LEU A 97 -0.389 6.016 1.287 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.587 5.262 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.058 7.527 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.108 7.908 4.045 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.112 5.772 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.284 5.444 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.261 5.062 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.147 6.604 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.586 7.220 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.448 8.380 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.064 8.105 6.074 1.00 0.00 H new ATOM 1309 N SER A 98 -3.641 6.830 3.711 1.00 0.00 N ATOM 1310 CA SER A 98 -4.962 7.377 3.474 1.00 0.00 C ATOM 1311 C SER A 98 -5.441 8.124 4.711 1.00 0.00 C ATOM 1312 O SER A 98 -5.607 7.529 5.773 1.00 0.00 O ATOM 1313 CB SER A 98 -5.924 6.246 3.120 1.00 0.00 C ATOM 1314 OG SER A 98 -5.365 5.460 2.091 1.00 0.00 O ATOM 0 H SER A 98 -3.424 6.665 4.694 1.00 0.00 H new ATOM 0 HA SER A 98 -4.925 8.079 2.641 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.118 5.630 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.882 6.656 2.800 1.00 0.00 H new ATOM 0 HG SER A 98 -4.759 6.010 1.552 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.664 9.433 4.570 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.121 10.254 5.673 1.00 0.00 C ATOM 1322 C ASP A 99 -7.543 10.727 5.407 1.00 0.00 C ATOM 1323 O ASP A 99 -8.266 10.116 4.623 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.179 11.442 5.847 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.492 12.536 4.836 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.560 12.196 3.635 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.657 13.692 5.283 1.00 0.00 O ATOM 0 H ASP A 99 -5.532 9.941 3.695 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.119 9.669 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.270 11.839 6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.147 11.114 5.726 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.944 11.818 6.064 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.275 12.365 5.897 1.00 0.00 C ATOM 1334 C ALA A 100 -9.567 12.568 4.417 1.00 0.00 C ATOM 1335 O ALA A 100 -10.680 12.315 3.962 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.381 13.685 6.655 1.00 0.00 C ATOM 0 H ALA A 100 -7.356 12.336 6.717 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.011 11.670 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.382 14.097 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.189 13.513 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.647 14.389 6.263 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.563 13.025 3.666 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.717 13.261 2.245 1.00 0.00 C ATOM 1344 C ALA A 101 -8.349 12.003 1.471 1.00 0.00 C ATOM 1345 O ALA A 101 -8.842 11.784 0.367 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.832 14.432 1.826 1.00 0.00 C ATOM 0 H ALA A 101 -7.634 13.237 4.029 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.755 13.510 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.947 14.611 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.126 15.325 2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.790 14.197 2.045 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.479 11.174 2.053 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.054 9.945 1.412 1.00 0.00 C ATOM 1354 C GLY A 102 -5.808 10.192 0.573 1.00 0.00 C ATOM 1355 O GLY A 102 -5.780 9.869 -0.612 1.00 0.00 O ATOM 0 H GLY A 102 -7.059 11.339 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.848 9.185 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.855 9.560 0.781 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.774 10.768 1.192 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.534 11.054 0.500 1.00 0.00 C ATOM 1361 C ASN A 103 -2.454 10.079 0.946 1.00 0.00 C ATOM 1362 O ASN A 103 -2.726 9.152 1.706 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.114 12.493 0.785 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.576 12.929 2.168 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.210 13.972 2.312 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.257 12.127 3.187 1.00 0.00 N ATOM 0 H ASN A 103 -4.780 11.043 2.174 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.679 10.936 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.030 12.580 0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.537 13.156 0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.541 12.370 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.729 11.271 3.016 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.223 10.290 0.472 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.113 9.428 0.827 1.00 0.00 C ATOM 1375 C GLY A 104 1.106 9.763 -0.020 1.00 0.00 C ATOM 1376 O GLY A 104 1.032 10.602 -0.915 1.00 0.00 O ATOM 0 H GLY A 104 -0.979 11.054 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.126 9.547 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.392 8.385 0.679 1.00 0.00 H new ATOM 1380 N PRO A 105 2.232 9.104 0.266 1.00 0.00 N ATOM 1381 CA PRO A 105 3.486 9.290 -0.432 1.00 0.00 C ATOM 1382 C PRO A 105 3.393 8.674 -1.821 1.00 0.00 C ATOM 1383 O PRO A 105 2.530 7.836 -2.074 1.00 0.00 O ATOM 1384 CB PRO A 105 4.521 8.562 0.422 1.00 0.00 C ATOM 1385 CG PRO A 105 3.703 7.441 1.063 1.00 0.00 C ATOM 1386 CD PRO A 105 2.354 8.111 1.311 1.00 0.00 C ATOM 0 HA PRO A 105 3.746 10.340 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.340 8.171 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.962 9.220 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.612 6.578 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.156 7.088 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.540 7.388 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.317 8.571 2.299 1.00 0.00 H new ATOM 1394 N GLU A 106 4.285 9.092 -2.722 1.00 0.00 N ATOM 1395 CA GLU A 106 4.297 8.579 -4.077 1.00 0.00 C ATOM 1396 C GLU A 106 3.872 7.117 -4.083 1.00 0.00 C ATOM 1397 O GLU A 106 4.440 6.300 -3.361 1.00 0.00 O ATOM 1398 CB GLU A 106 5.694 8.738 -4.668 1.00 0.00 C ATOM 1399 CG GLU A 106 6.731 8.237 -3.666 1.00 0.00 C ATOM 1400 CD GLU A 106 7.899 7.572 -4.380 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.852 8.307 -4.716 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.817 6.340 -4.575 1.00 0.00 O ATOM 0 H GLU A 106 5.007 9.786 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 106 3.591 9.143 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.772 8.177 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.882 9.784 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.094 9.071 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.267 7.528 -2.980 1.00 0.00 H new ATOM 1409 N GLY A 107 2.870 6.787 -4.901 1.00 0.00 N ATOM 1410 CA GLY A 107 2.379 5.427 -4.993 1.00 0.00 C ATOM 1411 C GLY A 107 3.521 4.439 -4.797 1.00 0.00 C ATOM 1412 O GLY A 107 4.601 4.616 -5.356 1.00 0.00 O ATOM 0 H GLY A 107 2.388 7.451 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.610 5.259 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.913 5.266 -5.965 1.00 0.00 H new ATOM 1416 N VAL A 108 3.279 3.397 -3.998 1.00 0.00 N ATOM 1417 CA VAL A 108 4.285 2.388 -3.731 1.00 0.00 C ATOM 1418 C VAL A 108 3.792 1.031 -4.210 1.00 0.00 C ATOM 1419 O VAL A 108 2.968 0.400 -3.552 1.00 0.00 O ATOM 1420 CB VAL A 108 4.589 2.357 -2.236 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.331 1.069 -1.895 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.457 3.557 -1.869 1.00 0.00 C ATOM 0 H VAL A 108 2.389 3.237 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 108 5.202 2.630 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 108 3.656 2.398 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.549 1.046 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.711 0.212 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.264 1.027 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.675 3.536 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.390 3.516 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.927 4.478 -2.113 1.00 0.00 H new ATOM 1432 N ALA A 109 4.299 0.581 -5.361 1.00 0.00 N ATOM 1433 CA ALA A 109 3.908 -0.696 -5.921 1.00 0.00 C ATOM 1434 C ALA A 109 4.778 -1.802 -5.340 1.00 0.00 C ATOM 1435 O ALA A 109 5.876 -1.540 -4.854 1.00 0.00 O ATOM 1436 CB ALA A 109 4.042 -0.646 -7.441 1.00 0.00 C ATOM 0 H ALA A 109 4.984 1.092 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 109 2.869 -0.906 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.748 -1.607 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.397 0.138 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.077 -0.433 -7.708 1.00 0.00 H new ATOM 1442 N ILE A 110 4.283 -3.041 -5.390 1.00 0.00 N ATOM 1443 CA ILE A 110 5.014 -4.180 -4.870 1.00 0.00 C ATOM 1444 C ILE A 110 5.136 -5.248 -5.948 1.00 0.00 C ATOM 1445 O ILE A 110 4.400 -5.227 -6.932 1.00 0.00 O ATOM 1446 CB ILE A 110 4.294 -4.729 -3.642 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.985 -3.586 -2.679 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.185 -5.754 -2.946 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.024 -4.075 -1.600 1.00 0.00 C ATOM 0 H ILE A 110 3.373 -3.273 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 110 6.017 -3.871 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 110 3.363 -5.206 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.906 -3.222 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.545 -2.749 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.671 -6.147 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.405 -6.571 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.116 -5.278 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.803 -3.259 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.100 -4.418 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.482 -4.898 -1.051 1.00 0.00 H new ATOM 1461 N SER A 111 6.069 -6.184 -5.760 1.00 0.00 N ATOM 1462 CA SER A 111 6.280 -7.254 -6.714 1.00 0.00 C ATOM 1463 C SER A 111 6.572 -8.554 -5.978 1.00 0.00 C ATOM 1464 O SER A 111 7.528 -8.634 -5.210 1.00 0.00 O ATOM 1465 CB SER A 111 7.435 -6.887 -7.641 1.00 0.00 C ATOM 1466 OG SER A 111 8.328 -7.974 -7.733 1.00 0.00 O ATOM 0 H SER A 111 6.688 -6.215 -4.950 1.00 0.00 H new ATOM 0 HA SER A 111 5.380 -7.394 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.054 -6.631 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.954 -6.007 -7.261 1.00 0.00 H new ATOM 0 HG SER A 111 9.069 -7.739 -8.330 1.00 0.00 H new ATOM 1472 N PHE A 112 5.744 -9.574 -6.214 1.00 0.00 N ATOM 1473 CA PHE A 112 5.919 -10.862 -5.573 1.00 0.00 C ATOM 1474 C PHE A 112 6.653 -11.810 -6.512 1.00 0.00 C ATOM 1475 O PHE A 112 6.193 -12.066 -7.623 1.00 0.00 O ATOM 1476 CB PHE A 112 4.555 -11.428 -5.190 1.00 0.00 C ATOM 1477 CG PHE A 112 3.883 -10.673 -4.068 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.703 -9.288 -4.165 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.438 -11.359 -2.931 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.078 -8.589 -3.125 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.814 -10.660 -1.891 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.634 -9.275 -1.988 1.00 0.00 C ATOM 0 H PHE A 112 4.946 -9.524 -6.847 1.00 0.00 H new ATOM 0 HA PHE A 112 6.516 -10.745 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.906 -11.415 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.673 -12.471 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.046 -8.759 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.576 -12.428 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.938 -7.521 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.471 -11.189 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.153 -8.736 -1.186 1.00 0.00 H new ATOM 1492 N ASN A 113 7.796 -12.332 -6.062 1.00 0.00 N ATOM 1493 CA ASN A 113 8.584 -13.248 -6.863 1.00 0.00 C ATOM 1494 C ASN A 113 8.879 -12.627 -8.221 1.00 0.00 C ATOM 1495 O ASN A 113 9.820 -13.032 -8.901 1.00 0.00 O ATOM 1496 CB ASN A 113 7.826 -14.562 -7.023 1.00 0.00 C ATOM 1497 CG ASN A 113 7.540 -15.193 -5.668 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.214 -16.140 -5.267 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.539 -14.664 -4.960 1.00 0.00 N ATOM 0 H ASN A 113 8.191 -12.130 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 113 9.533 -13.448 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.889 -14.384 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.410 -15.251 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.305 -15.046 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.008 -13.878 -5.336 1.00 0.00 H new