USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 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 Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -94:sc= -1.21 USER MOD Single : A 15 HIS : no HE2:sc= -6.54! K(o=-6.5!,f=-2.7) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.0024) USER MOD Single : A 25 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= 0.0138 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.557 USER MOD Single : A 39 CYS SG : rot 159:sc= -0.971 USER MOD Single : A 41 SER OG : rot 180:sc= -0.139 USER MOD Single : A 45 THR OG1 : rot 170:sc= -1.71 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.0523 (180deg=-0.207) USER MOD Single : A 70 GLN : amide:sc= 0.369 K(o=0.37,f=-0.75) USER MOD Single : A 75 SER OG : rot -77:sc= 1.28 USER MOD Single : A 76 HIS : no HD1:sc= -7.71! K(o=-7.7!,f=-2.9) USER MOD Single : A 79 GLN : amide:sc= -6.56! C(o=-6.6!,f=-11!) USER MOD Single : A 80 GLN : amide:sc= -1.52! C(o=-1.5!,f=-1.7!) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.309 USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 87 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.6!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 26:sc= 0.505 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= -0.181 (180deg=-0.181) USER MOD Single : A 99 SER OG : rot 40:sc= 0.455 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -13.608 -8.329 -8.380 1.00 0.00 N ATOM 2 CA GLY A 0 -13.257 -9.723 -8.166 1.00 0.00 C ATOM 3 C GLY A 0 -13.121 -10.464 -9.498 1.00 0.00 C ATOM 4 O GLY A 0 -14.031 -10.434 -10.325 1.00 0.00 O ATOM 0 H1 GLY A 0 -13.694 -7.848 -7.462 1.00 0.00 H new ATOM 0 H2 GLY A 0 -12.867 -7.867 -8.945 1.00 0.00 H new ATOM 0 H3 GLY A 0 -14.514 -8.273 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -12.319 -9.785 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -14.020 -10.204 -7.554 1.00 0.00 H new ATOM 8 N SER A 1 -11.978 -11.113 -9.663 1.00 0.00 N ATOM 9 CA SER A 1 -11.711 -11.861 -10.880 1.00 0.00 C ATOM 10 C SER A 1 -11.938 -10.970 -12.102 1.00 0.00 C ATOM 11 O SER A 1 -13.045 -10.909 -12.634 1.00 0.00 O ATOM 12 CB SER A 1 -12.592 -13.110 -10.962 1.00 0.00 C ATOM 13 OG SER A 1 -11.819 -14.306 -11.020 1.00 0.00 O ATOM 0 H SER A 1 -11.226 -11.136 -8.974 1.00 0.00 H new ATOM 0 HA SER A 1 -10.670 -12.184 -10.863 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.251 -13.146 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.229 -13.047 -11.844 1.00 0.00 H new ATOM 0 HG SER A 1 -12.418 -15.080 -11.070 1.00 0.00 H new ATOM 19 N SER A 2 -10.870 -10.301 -12.513 1.00 0.00 N ATOM 20 CA SER A 2 -10.939 -9.416 -13.664 1.00 0.00 C ATOM 21 C SER A 2 -9.585 -9.378 -14.376 1.00 0.00 C ATOM 22 O SER A 2 -8.545 -9.582 -13.751 1.00 0.00 O ATOM 23 CB SER A 2 -11.360 -8.005 -13.248 1.00 0.00 C ATOM 24 OG SER A 2 -12.592 -7.617 -13.850 1.00 0.00 O ATOM 0 H SER A 2 -9.953 -10.354 -12.070 1.00 0.00 H new ATOM 0 HA SER A 2 -11.692 -9.804 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.457 -7.960 -12.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.580 -7.297 -13.528 1.00 0.00 H new ATOM 0 HG SER A 2 -12.828 -6.711 -13.559 1.00 0.00 H new ATOM 30 N GLY A 3 -9.642 -9.116 -15.673 1.00 0.00 N ATOM 31 CA GLY A 3 -8.434 -9.049 -16.477 1.00 0.00 C ATOM 32 C GLY A 3 -8.196 -7.627 -16.991 1.00 0.00 C ATOM 33 O GLY A 3 -9.049 -7.058 -17.670 1.00 0.00 O ATOM 0 H GLY A 3 -10.506 -8.947 -16.187 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.579 -9.373 -15.883 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.515 -9.735 -17.320 1.00 0.00 H new ATOM 37 N SER A 4 -7.032 -7.095 -16.648 1.00 0.00 N ATOM 38 CA SER A 4 -6.671 -5.752 -17.066 1.00 0.00 C ATOM 39 C SER A 4 -7.848 -4.800 -16.841 1.00 0.00 C ATOM 40 O SER A 4 -8.519 -4.402 -17.792 1.00 0.00 O ATOM 41 CB SER A 4 -6.243 -5.728 -18.535 1.00 0.00 C ATOM 42 OG SER A 4 -5.041 -6.463 -18.752 1.00 0.00 O ATOM 0 H SER A 4 -6.327 -7.570 -16.085 1.00 0.00 H new ATOM 0 HA SER A 4 -5.824 -5.423 -16.464 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.039 -6.145 -19.152 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.100 -4.696 -18.854 1.00 0.00 H new ATOM 0 HG SER A 4 -4.802 -6.425 -19.702 1.00 0.00 H new ATOM 48 N SER A 5 -8.061 -4.462 -15.578 1.00 0.00 N ATOM 49 CA SER A 5 -9.145 -3.564 -15.217 1.00 0.00 C ATOM 50 C SER A 5 -9.075 -3.235 -13.724 1.00 0.00 C ATOM 51 O SER A 5 -8.768 -4.101 -12.907 1.00 0.00 O ATOM 52 CB SER A 5 -10.504 -4.174 -15.563 1.00 0.00 C ATOM 53 OG SER A 5 -11.448 -3.184 -15.963 1.00 0.00 O ATOM 0 H SER A 5 -7.502 -4.794 -14.792 1.00 0.00 H new ATOM 0 HA SER A 5 -9.034 -2.644 -15.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.381 -4.902 -16.365 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.890 -4.714 -14.698 1.00 0.00 H new ATOM 0 HG SER A 5 -12.302 -3.614 -16.177 1.00 0.00 H new ATOM 59 N GLY A 6 -9.367 -1.980 -13.413 1.00 0.00 N ATOM 60 CA GLY A 6 -9.341 -1.526 -12.033 1.00 0.00 C ATOM 61 C GLY A 6 -7.917 -1.552 -11.474 1.00 0.00 C ATOM 62 O GLY A 6 -7.222 -2.561 -11.583 1.00 0.00 O ATOM 0 H GLY A 6 -9.623 -1.264 -14.093 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.741 -0.514 -11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.986 -2.161 -11.425 1.00 0.00 H new ATOM 66 N THR A 7 -7.526 -0.431 -10.886 1.00 0.00 N ATOM 67 CA THR A 7 -6.198 -0.313 -10.309 1.00 0.00 C ATOM 68 C THR A 7 -6.270 -0.395 -8.783 1.00 0.00 C ATOM 69 O THR A 7 -7.336 -0.211 -8.197 1.00 0.00 O ATOM 70 CB THR A 7 -5.575 0.989 -10.818 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.667 1.904 -10.856 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.121 0.890 -12.276 1.00 0.00 C ATOM 0 H THR A 7 -8.106 0.404 -10.797 1.00 0.00 H new ATOM 0 HA THR A 7 -5.558 -1.140 -10.618 1.00 0.00 H new ATOM 0 HB THR A 7 -4.724 1.254 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.352 2.776 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.687 1.840 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.375 0.101 -12.372 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.978 0.658 -12.909 1.00 0.00 H new ATOM 80 N PRO A 8 -5.092 -0.680 -8.166 1.00 0.00 N ATOM 81 CA PRO A 8 -5.011 -0.790 -6.720 1.00 0.00 C ATOM 82 C PRO A 8 -5.062 0.591 -6.062 1.00 0.00 C ATOM 83 O PRO A 8 -5.804 0.799 -5.103 1.00 0.00 O ATOM 84 CB PRO A 8 -3.710 -1.528 -6.453 1.00 0.00 C ATOM 85 CG PRO A 8 -2.886 -1.394 -7.724 1.00 0.00 C ATOM 86 CD PRO A 8 -3.810 -0.905 -8.827 1.00 0.00 C ATOM 0 HA PRO A 8 -5.854 -1.331 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.185 -1.098 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.897 -2.576 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.065 -0.693 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.442 -2.352 -7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.433 0.011 -9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.900 -1.643 -9.624 1.00 0.00 H new ATOM 94 N LEU A 9 -4.263 1.499 -6.603 1.00 0.00 N ATOM 95 CA LEU A 9 -4.207 2.853 -6.080 1.00 0.00 C ATOM 96 C LEU A 9 -5.623 3.429 -6.015 1.00 0.00 C ATOM 97 O LEU A 9 -6.024 3.984 -4.993 1.00 0.00 O ATOM 98 CB LEU A 9 -3.235 3.704 -6.900 1.00 0.00 C ATOM 99 CG LEU A 9 -2.083 4.343 -6.122 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.164 5.135 -7.055 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.608 5.202 -4.971 1.00 0.00 C ATOM 0 H LEU A 9 -3.649 1.323 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.815 2.852 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.813 3.080 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.801 4.497 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.485 3.545 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.354 5.579 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.748 4.467 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.735 5.924 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.768 5.644 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.243 5.994 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.188 4.581 -4.288 1.00 0.00 H new ATOM 113 N SER A 10 -6.342 3.275 -7.117 1.00 0.00 N ATOM 114 CA SER A 10 -7.704 3.773 -7.198 1.00 0.00 C ATOM 115 C SER A 10 -8.603 2.995 -6.235 1.00 0.00 C ATOM 116 O SER A 10 -9.520 3.560 -5.642 1.00 0.00 O ATOM 117 CB SER A 10 -8.244 3.672 -8.626 1.00 0.00 C ATOM 118 OG SER A 10 -8.194 4.924 -9.305 1.00 0.00 O ATOM 0 H SER A 10 -6.006 2.812 -7.962 1.00 0.00 H new ATOM 0 HA SER A 10 -7.701 4.825 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.664 2.935 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.273 3.314 -8.600 1.00 0.00 H new ATOM 0 HG SER A 10 -8.546 4.818 -10.214 1.00 0.00 H new ATOM 124 N LEU A 11 -8.309 1.709 -6.110 1.00 0.00 N ATOM 125 CA LEU A 11 -9.079 0.847 -5.229 1.00 0.00 C ATOM 126 C LEU A 11 -8.821 1.249 -3.775 1.00 0.00 C ATOM 127 O LEU A 11 -9.727 1.205 -2.945 1.00 0.00 O ATOM 128 CB LEU A 11 -8.780 -0.624 -5.522 1.00 0.00 C ATOM 129 CG LEU A 11 -9.407 -1.195 -6.796 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.567 -2.347 -7.352 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.860 -1.611 -6.552 1.00 0.00 C ATOM 0 H LEU A 11 -7.548 1.243 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.146 0.974 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.699 -0.749 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.121 -1.219 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.418 -0.411 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.035 -2.735 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.565 -1.987 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.502 -3.141 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.283 -2.013 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.894 -2.373 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.439 -0.743 -6.236 1.00 0.00 H new ATOM 143 N THR A 12 -7.580 1.632 -3.513 1.00 0.00 N ATOM 144 CA THR A 12 -7.191 2.042 -2.174 1.00 0.00 C ATOM 145 C THR A 12 -7.701 3.454 -1.879 1.00 0.00 C ATOM 146 O THR A 12 -8.386 3.674 -0.882 1.00 0.00 O ATOM 147 CB THR A 12 -5.671 1.909 -2.062 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.186 2.409 -3.305 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.210 0.450 -2.042 1.00 0.00 C ATOM 0 H THR A 12 -6.831 1.667 -4.205 1.00 0.00 H new ATOM 0 HA THR A 12 -7.644 1.402 -1.417 1.00 0.00 H new ATOM 0 HB THR A 12 -5.329 2.410 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.067 1.666 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.124 0.413 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.655 -0.060 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.523 -0.043 -2.962 1.00 0.00 H new ATOM 157 N LEU A 13 -7.347 4.373 -2.764 1.00 0.00 N ATOM 158 CA LEU A 13 -7.760 5.758 -2.611 1.00 0.00 C ATOM 159 C LEU A 13 -9.281 5.818 -2.459 1.00 0.00 C ATOM 160 O LEU A 13 -9.801 6.636 -1.702 1.00 0.00 O ATOM 161 CB LEU A 13 -7.224 6.608 -3.765 1.00 0.00 C ATOM 162 CG LEU A 13 -5.896 7.324 -3.510 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.997 8.250 -2.296 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.749 6.321 -3.372 1.00 0.00 C ATOM 0 H LEU A 13 -6.779 4.186 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.331 6.185 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.106 5.967 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.975 7.357 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.674 7.949 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.040 8.747 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.769 8.999 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.254 7.665 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.817 6.857 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.950 5.651 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.661 5.740 -4.290 1.00 0.00 H new ATOM 176 N ASP A 14 -9.952 4.940 -3.190 1.00 0.00 N ATOM 177 CA ASP A 14 -11.403 4.883 -3.145 1.00 0.00 C ATOM 178 C ASP A 14 -11.851 4.508 -1.731 1.00 0.00 C ATOM 179 O ASP A 14 -12.815 5.069 -1.213 1.00 0.00 O ATOM 180 CB ASP A 14 -11.943 3.823 -4.108 1.00 0.00 C ATOM 181 CG ASP A 14 -12.142 4.300 -5.549 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.301 5.528 -5.723 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.132 3.426 -6.442 1.00 0.00 O ATOM 0 H ASP A 14 -9.518 4.262 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.788 5.862 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.258 2.975 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.897 3.459 -3.726 1.00 0.00 H new ATOM 188 N HIS A 15 -11.130 3.562 -1.148 1.00 0.00 N ATOM 189 CA HIS A 15 -11.442 3.106 0.196 1.00 0.00 C ATOM 190 C HIS A 15 -10.428 3.687 1.183 1.00 0.00 C ATOM 191 O HIS A 15 -9.958 2.989 2.080 1.00 0.00 O ATOM 192 CB HIS A 15 -11.511 1.579 0.249 1.00 0.00 C ATOM 193 CG HIS A 15 -12.819 1.006 -0.244 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.045 1.377 0.279 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.078 0.087 -1.219 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.993 0.705 -0.358 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.392 -0.094 -1.285 1.00 0.00 N ATOM 0 H HIS A 15 -10.331 3.099 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.429 3.467 0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.698 1.168 -0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.348 1.253 1.276 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.194 2.053 1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.340 -0.409 -1.832 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.055 0.777 -0.175 1.00 0.00 H new ATOM 205 N TRP A 16 -10.120 4.961 0.985 1.00 0.00 N ATOM 206 CA TRP A 16 -9.170 5.644 1.847 1.00 0.00 C ATOM 207 C TRP A 16 -9.589 5.402 3.298 1.00 0.00 C ATOM 208 O TRP A 16 -8.740 5.240 4.174 1.00 0.00 O ATOM 209 CB TRP A 16 -9.079 7.130 1.492 1.00 0.00 C ATOM 210 CG TRP A 16 -8.099 7.919 2.363 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.336 9.033 3.069 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.709 7.606 2.594 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.205 9.459 3.735 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.185 8.564 3.437 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.922 6.548 2.107 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.852 8.560 3.867 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.592 6.558 2.545 1.00 0.00 C ATOM 218 CH2 TRP A 16 -4.049 7.515 3.394 1.00 0.00 C ATOM 0 H TRP A 16 -10.512 5.538 0.240 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.165 5.247 1.704 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.780 7.226 0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.070 7.576 1.582 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.292 9.534 3.111 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.131 10.280 4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.312 5.787 1.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.465 9.322 4.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.943 5.767 2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.012 7.453 3.688 1.00 0.00 H new ATOM 229 N SER A 17 -10.897 5.383 3.508 1.00 0.00 N ATOM 230 CA SER A 17 -11.438 5.163 4.838 1.00 0.00 C ATOM 231 C SER A 17 -10.875 3.866 5.424 1.00 0.00 C ATOM 232 O SER A 17 -10.443 3.837 6.576 1.00 0.00 O ATOM 233 CB SER A 17 -12.967 5.112 4.810 1.00 0.00 C ATOM 234 OG SER A 17 -13.548 5.939 5.815 1.00 0.00 O ATOM 0 H SER A 17 -11.598 5.516 2.779 1.00 0.00 H new ATOM 0 HA SER A 17 -11.141 6.000 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.322 5.429 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.298 4.083 4.951 1.00 0.00 H new ATOM 0 HG SER A 17 -14.525 5.880 5.763 1.00 0.00 H new ATOM 240 N GLU A 18 -10.898 2.825 4.605 1.00 0.00 N ATOM 241 CA GLU A 18 -10.395 1.529 5.028 1.00 0.00 C ATOM 242 C GLU A 18 -8.894 1.609 5.313 1.00 0.00 C ATOM 243 O GLU A 18 -8.424 1.099 6.328 1.00 0.00 O ATOM 244 CB GLU A 18 -10.698 0.456 3.980 1.00 0.00 C ATOM 245 CG GLU A 18 -9.908 -0.824 4.263 1.00 0.00 C ATOM 246 CD GLU A 18 -10.278 -1.406 5.629 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.356 -2.033 5.705 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.474 -1.210 6.565 1.00 0.00 O ATOM 0 H GLU A 18 -11.257 2.852 3.651 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.905 1.246 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.766 0.236 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.447 0.831 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.109 -1.559 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.840 -0.611 4.232 1.00 0.00 H new ATOM 255 N ILE A 19 -8.184 2.254 4.399 1.00 0.00 N ATOM 256 CA ILE A 19 -6.746 2.408 4.540 1.00 0.00 C ATOM 257 C ILE A 19 -6.444 3.195 5.817 1.00 0.00 C ATOM 258 O ILE A 19 -5.466 2.913 6.507 1.00 0.00 O ATOM 259 CB ILE A 19 -6.148 3.031 3.277 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.787 2.441 2.018 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.624 2.892 3.266 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.902 0.919 2.124 1.00 0.00 C ATOM 0 H ILE A 19 -8.578 2.676 3.558 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.267 1.435 4.645 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.374 4.097 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.776 2.875 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.190 2.704 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.224 3.343 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.206 3.398 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.355 1.836 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.359 0.525 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.909 0.487 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.520 0.660 2.984 1.00 0.00 H new ATOM 274 N ARG A 20 -7.303 4.166 6.092 1.00 0.00 N ATOM 275 CA ARG A 20 -7.140 4.996 7.274 1.00 0.00 C ATOM 276 C ARG A 20 -7.459 4.191 8.535 1.00 0.00 C ATOM 277 O ARG A 20 -6.887 4.439 9.595 1.00 0.00 O ATOM 278 CB ARG A 20 -8.053 6.222 7.215 1.00 0.00 C ATOM 279 CG ARG A 20 -7.525 7.251 6.213 1.00 0.00 C ATOM 280 CD ARG A 20 -8.002 8.660 6.572 1.00 0.00 C ATOM 281 NE ARG A 20 -7.875 8.882 8.030 1.00 0.00 N ATOM 282 CZ ARG A 20 -6.739 9.248 8.638 1.00 0.00 C ATOM 283 NH1 ARG A 20 -5.624 9.437 7.918 1.00 0.00 N ATOM 284 NH2 ARG A 20 -6.717 9.426 9.966 1.00 0.00 N ATOM 0 H ARG A 20 -8.113 4.396 5.517 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.103 5.330 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.060 5.917 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.124 6.675 8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.435 7.225 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.863 6.993 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.414 9.401 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.040 8.791 6.265 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.705 8.748 8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.641 9.302 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.759 9.716 8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.565 9.283 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.852 9.705 10.429 1.00 0.00 H new ATOM 298 N SER A 21 -8.372 3.243 8.379 1.00 0.00 N ATOM 299 CA SER A 21 -8.774 2.401 9.493 1.00 0.00 C ATOM 300 C SER A 21 -7.604 1.516 9.928 1.00 0.00 C ATOM 301 O SER A 21 -7.322 1.397 11.120 1.00 0.00 O ATOM 302 CB SER A 21 -9.982 1.538 9.123 1.00 0.00 C ATOM 303 OG SER A 21 -11.064 1.717 10.032 1.00 0.00 O ATOM 0 H SER A 21 -8.845 3.040 7.498 1.00 0.00 H new ATOM 0 HA SER A 21 -9.062 3.046 10.323 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.311 1.788 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.688 0.488 9.112 1.00 0.00 H new ATOM 0 HG SER A 21 -11.816 1.151 9.761 1.00 0.00 H new ATOM 309 N ARG A 22 -6.955 0.919 8.940 1.00 0.00 N ATOM 310 CA ARG A 22 -5.822 0.049 9.206 1.00 0.00 C ATOM 311 C ARG A 22 -4.718 0.822 9.931 1.00 0.00 C ATOM 312 O ARG A 22 -3.972 0.248 10.723 1.00 0.00 O ATOM 313 CB ARG A 22 -5.259 -0.535 7.909 1.00 0.00 C ATOM 314 CG ARG A 22 -6.376 -1.103 7.032 1.00 0.00 C ATOM 315 CD ARG A 22 -6.117 -2.573 6.697 1.00 0.00 C ATOM 316 NE ARG A 22 -6.853 -2.950 5.470 1.00 0.00 N ATOM 317 CZ ARG A 22 -6.975 -4.207 5.023 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.409 -5.216 5.699 1.00 0.00 N ATOM 319 NH2 ARG A 22 -7.661 -4.456 3.899 1.00 0.00 N ATOM 0 H ARG A 22 -7.192 1.020 7.953 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.172 -0.768 9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.720 0.238 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.540 -1.320 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.332 -1.007 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.450 -0.524 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.049 -2.740 6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.431 -3.205 7.528 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.295 -2.206 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.885 -5.027 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.502 -6.173 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.091 -3.688 3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.753 -5.413 3.559 1.00 0.00 H new ATOM 333 N ALA A 23 -4.650 2.111 9.635 1.00 0.00 N ATOM 334 CA ALA A 23 -3.650 2.968 10.249 1.00 0.00 C ATOM 335 C ALA A 23 -3.976 3.143 11.733 1.00 0.00 C ATOM 336 O ALA A 23 -3.080 3.121 12.576 1.00 0.00 O ATOM 337 CB ALA A 23 -3.595 4.303 9.503 1.00 0.00 C ATOM 0 H ALA A 23 -5.271 2.583 8.978 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.661 2.514 10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.845 4.946 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.331 4.127 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.570 4.788 9.553 1.00 0.00 H new ATOM 343 N HIS A 24 -5.261 3.312 12.008 1.00 0.00 N ATOM 344 CA HIS A 24 -5.716 3.490 13.376 1.00 0.00 C ATOM 345 C HIS A 24 -5.437 2.218 14.180 1.00 0.00 C ATOM 346 O HIS A 24 -4.960 2.286 15.312 1.00 0.00 O ATOM 347 CB HIS A 24 -7.190 3.901 13.410 1.00 0.00 C ATOM 348 CG HIS A 24 -7.583 4.677 14.644 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.570 4.249 15.515 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.113 5.855 15.143 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.681 5.139 16.491 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.777 6.134 16.258 1.00 0.00 N ATOM 0 H HIS A 24 -6.001 3.329 11.307 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.161 4.303 13.844 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.409 4.504 12.529 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.808 3.005 13.344 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.332 6.459 14.705 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.366 5.086 17.324 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.635 6.957 16.844 1.00 0.00 H new ATOM 360 N ASN A 25 -5.747 1.087 13.563 1.00 0.00 N ATOM 361 CA ASN A 25 -5.535 -0.199 14.206 1.00 0.00 C ATOM 362 C ASN A 25 -4.034 -0.431 14.391 1.00 0.00 C ATOM 363 O ASN A 25 -3.615 -1.060 15.361 1.00 0.00 O ATOM 364 CB ASN A 25 -6.089 -1.340 13.351 1.00 0.00 C ATOM 365 CG ASN A 25 -7.009 -2.245 14.173 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.692 -3.382 14.481 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.164 -1.678 14.510 1.00 0.00 N ATOM 0 H ASN A 25 -6.143 1.034 12.625 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.051 -0.185 15.166 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.639 -0.930 12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.266 -1.927 12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.847 -2.200 15.059 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.367 -0.721 14.219 1.00 0.00 H new ATOM 374 N LEU A 26 -3.267 0.090 13.445 1.00 0.00 N ATOM 375 CA LEU A 26 -1.821 -0.053 13.491 1.00 0.00 C ATOM 376 C LEU A 26 -1.230 1.065 14.353 1.00 0.00 C ATOM 377 O LEU A 26 -0.041 1.049 14.666 1.00 0.00 O ATOM 378 CB LEU A 26 -1.243 -0.109 12.076 1.00 0.00 C ATOM 379 CG LEU A 26 -1.602 -1.348 11.254 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.154 -1.190 9.799 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.033 -2.616 11.894 1.00 0.00 C ATOM 0 H LEU A 26 -3.619 0.612 12.642 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.546 -0.998 13.960 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.580 0.774 11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.157 -0.046 12.146 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.687 -1.450 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.421 -2.085 9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.647 -0.324 9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.074 -1.049 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.303 -3.482 11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.053 -2.539 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.443 -2.732 12.897 1.00 0.00 H new ATOM 393 N SER A 27 -2.088 2.009 14.712 1.00 0.00 N ATOM 394 CA SER A 27 -1.666 3.132 15.531 1.00 0.00 C ATOM 395 C SER A 27 -0.698 4.019 14.745 1.00 0.00 C ATOM 396 O SER A 27 0.340 4.425 15.265 1.00 0.00 O ATOM 397 CB SER A 27 -1.011 2.652 16.828 1.00 0.00 C ATOM 398 OG SER A 27 -1.874 1.803 17.579 1.00 0.00 O ATOM 0 H SER A 27 -3.074 2.019 14.450 1.00 0.00 H new ATOM 0 HA SER A 27 -2.549 3.714 15.795 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.091 2.117 16.593 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.733 3.514 17.434 1.00 0.00 H new ATOM 0 HG SER A 27 -1.419 1.516 18.398 1.00 0.00 H new ATOM 404 N VAL A 28 -1.072 4.292 13.503 1.00 0.00 N ATOM 405 CA VAL A 28 -0.250 5.123 12.640 1.00 0.00 C ATOM 406 C VAL A 28 -1.143 6.114 11.892 1.00 0.00 C ATOM 407 O VAL A 28 -2.324 5.847 11.671 1.00 0.00 O ATOM 408 CB VAL A 28 0.581 4.243 11.704 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.564 3.376 12.494 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.320 3.381 10.818 1.00 0.00 C ATOM 0 H VAL A 28 -1.933 3.952 13.074 1.00 0.00 H new ATOM 0 HA VAL A 28 0.457 5.705 13.231 1.00 0.00 H new ATOM 0 HB VAL A 28 1.160 4.899 11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.142 2.761 11.804 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.239 4.016 13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.012 2.733 13.179 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.296 2.765 10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.938 2.738 11.444 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.960 4.025 10.215 1.00 0.00 H new ATOM 420 N GLU A 29 -0.546 7.238 11.523 1.00 0.00 N ATOM 421 CA GLU A 29 -1.273 8.271 10.804 1.00 0.00 C ATOM 422 C GLU A 29 -0.724 8.416 9.383 1.00 0.00 C ATOM 423 O GLU A 29 0.489 8.449 9.183 1.00 0.00 O ATOM 424 CB GLU A 29 -1.216 9.604 11.553 1.00 0.00 C ATOM 425 CG GLU A 29 -2.476 9.815 12.394 1.00 0.00 C ATOM 426 CD GLU A 29 -2.171 9.668 13.886 1.00 0.00 C ATOM 427 OE1 GLU A 29 -1.128 10.213 14.308 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.987 9.015 14.571 1.00 0.00 O ATOM 0 H GLU A 29 0.433 7.456 11.708 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.319 7.973 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.337 9.626 12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.109 10.422 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.886 10.806 12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.238 9.092 12.102 1.00 0.00 H new ATOM 435 N ILE A 30 -1.644 8.498 8.433 1.00 0.00 N ATOM 436 CA ILE A 30 -1.268 8.638 7.037 1.00 0.00 C ATOM 437 C ILE A 30 -2.217 9.624 6.354 1.00 0.00 C ATOM 438 O ILE A 30 -3.351 9.806 6.795 1.00 0.00 O ATOM 439 CB ILE A 30 -1.210 7.269 6.357 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.555 6.548 6.461 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.063 6.426 6.919 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.465 5.134 5.884 1.00 0.00 C ATOM 0 H ILE A 30 -2.649 8.470 8.603 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.263 9.052 6.953 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.008 7.422 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.866 6.500 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.318 7.115 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.044 5.458 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.883 6.940 6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.210 6.279 7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.435 4.643 5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.177 5.187 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.719 4.563 6.436 1.00 0.00 H new ATOM 454 N LYS A 31 -1.719 10.235 5.289 1.00 0.00 N ATOM 455 CA LYS A 31 -2.509 11.198 4.541 1.00 0.00 C ATOM 456 C LYS A 31 -2.893 10.595 3.188 1.00 0.00 C ATOM 457 O LYS A 31 -2.344 9.571 2.782 1.00 0.00 O ATOM 458 CB LYS A 31 -1.766 12.531 4.431 1.00 0.00 C ATOM 459 CG LYS A 31 -2.170 13.479 5.562 1.00 0.00 C ATOM 460 CD LYS A 31 -2.370 14.903 5.040 1.00 0.00 C ATOM 461 CE LYS A 31 -1.082 15.719 5.169 1.00 0.00 C ATOM 462 NZ LYS A 31 -0.963 16.679 4.048 1.00 0.00 N ATOM 0 H LYS A 31 -0.778 10.082 4.926 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.437 11.419 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.691 12.356 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.983 12.994 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.091 13.125 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.402 13.476 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.682 14.871 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.171 15.390 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.078 16.256 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.221 15.051 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.084 17.225 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.945 16.160 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.776 17.327 4.058 1.00 0.00 H new ATOM 476 N LYS A 32 -3.832 11.255 2.526 1.00 0.00 N ATOM 477 CA LYS A 32 -4.295 10.797 1.228 1.00 0.00 C ATOM 478 C LYS A 32 -3.462 11.462 0.130 1.00 0.00 C ATOM 479 O LYS A 32 -3.484 11.028 -1.020 1.00 0.00 O ATOM 480 CB LYS A 32 -5.800 11.030 1.083 1.00 0.00 C ATOM 481 CG LYS A 32 -6.317 10.467 -0.242 1.00 0.00 C ATOM 482 CD LYS A 32 -7.717 11.000 -0.555 1.00 0.00 C ATOM 483 CE LYS A 32 -8.744 9.866 -0.571 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.524 9.891 -1.829 1.00 0.00 N ATOM 0 H LYS A 32 -4.285 12.104 2.865 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.151 9.721 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.326 10.558 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.013 12.098 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.633 10.736 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.341 9.378 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.002 11.743 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.711 11.504 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.237 8.907 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.415 9.963 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.932 8.950 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.289 10.591 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.900 10.149 -2.620 1.00 0.00 H new ATOM 498 N GLY A 33 -2.747 12.506 0.524 1.00 0.00 N ATOM 499 CA GLY A 33 -1.908 13.235 -0.411 1.00 0.00 C ATOM 500 C GLY A 33 -0.591 12.497 -0.658 1.00 0.00 C ATOM 501 O GLY A 33 -0.200 12.284 -1.804 1.00 0.00 O ATOM 0 H GLY A 33 -2.732 12.864 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.438 13.366 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.703 14.231 -0.020 1.00 0.00 H new ATOM 505 N PRO A 34 0.073 12.116 0.466 1.00 0.00 N ATOM 506 CA PRO A 34 1.338 11.406 0.383 1.00 0.00 C ATOM 507 C PRO A 34 1.122 9.947 -0.025 1.00 0.00 C ATOM 508 O PRO A 34 1.920 9.383 -0.773 1.00 0.00 O ATOM 509 CB PRO A 34 1.961 11.550 1.762 1.00 0.00 C ATOM 510 CG PRO A 34 0.824 11.932 2.695 1.00 0.00 C ATOM 511 CD PRO A 34 -0.361 12.350 1.840 1.00 0.00 C ATOM 0 HA PRO A 34 1.999 11.812 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.429 10.618 2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.739 12.313 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.556 11.091 3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.127 12.747 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.249 11.765 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.616 13.397 2.002 1.00 0.00 H new ATOM 519 N TRP A 35 0.039 9.377 0.483 1.00 0.00 N ATOM 520 CA TRP A 35 -0.292 7.995 0.180 1.00 0.00 C ATOM 521 C TRP A 35 -0.216 7.812 -1.337 1.00 0.00 C ATOM 522 O TRP A 35 0.335 6.824 -1.819 1.00 0.00 O ATOM 523 CB TRP A 35 -1.656 7.619 0.761 1.00 0.00 C ATOM 524 CG TRP A 35 -2.197 6.278 0.260 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.889 6.033 -0.861 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.060 4.998 0.914 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.207 4.696 -0.978 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.687 4.046 0.136 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.428 4.656 2.122 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.743 2.690 0.480 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.493 3.297 2.452 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.120 2.327 1.680 1.00 0.00 C ATOM 0 H TRP A 35 -0.621 9.847 1.103 1.00 0.00 H new ATOM 0 HA TRP A 35 0.421 7.316 0.648 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.580 7.585 1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.373 8.403 0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.163 6.788 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.728 4.264 -1.741 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.931 5.384 2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.240 1.964 -0.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.023 2.980 3.371 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.127 1.297 2.004 1.00 0.00 H new ATOM 543 N ARG A 36 -0.778 8.780 -2.046 1.00 0.00 N ATOM 544 CA ARG A 36 -0.781 8.738 -3.499 1.00 0.00 C ATOM 545 C ARG A 36 0.621 9.026 -4.041 1.00 0.00 C ATOM 546 O ARG A 36 1.111 8.313 -4.915 1.00 0.00 O ATOM 547 CB ARG A 36 -1.763 9.758 -4.077 1.00 0.00 C ATOM 548 CG ARG A 36 -2.163 9.385 -5.506 1.00 0.00 C ATOM 549 CD ARG A 36 -3.634 8.968 -5.573 1.00 0.00 C ATOM 550 NE ARG A 36 -4.314 9.687 -6.673 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.809 10.928 -6.567 1.00 0.00 C ATOM 552 NH1 ARG A 36 -4.702 11.595 -5.410 1.00 0.00 N ATOM 553 NH2 ARG A 36 -5.411 11.501 -7.618 1.00 0.00 N ATOM 0 H ARG A 36 -1.234 9.598 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.093 7.738 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.652 9.809 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.310 10.749 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.991 10.233 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.534 8.570 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.709 7.892 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.126 9.187 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.412 9.208 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.244 11.158 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.079 12.539 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.493 10.993 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.788 12.445 -7.537 1.00 0.00 H new ATOM 567 N THR A 37 1.227 10.073 -3.500 1.00 0.00 N ATOM 568 CA THR A 37 2.562 10.464 -3.918 1.00 0.00 C ATOM 569 C THR A 37 3.529 9.286 -3.783 1.00 0.00 C ATOM 570 O THR A 37 4.228 8.940 -4.735 1.00 0.00 O ATOM 571 CB THR A 37 2.976 11.687 -3.097 1.00 0.00 C ATOM 572 OG1 THR A 37 2.120 12.725 -3.566 1.00 0.00 O ATOM 573 CG2 THR A 37 4.382 12.178 -3.446 1.00 0.00 C ATOM 0 H THR A 37 0.817 10.663 -2.775 1.00 0.00 H new ATOM 0 HA THR A 37 2.581 10.741 -4.972 1.00 0.00 H new ATOM 0 HB THR A 37 2.930 11.444 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.286 12.718 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.626 13.047 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.103 11.384 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.420 12.453 -4.500 1.00 0.00 H new ATOM 581 N PHE A 38 3.539 8.703 -2.594 1.00 0.00 N ATOM 582 CA PHE A 38 4.409 7.571 -2.322 1.00 0.00 C ATOM 583 C PHE A 38 4.147 6.430 -3.306 1.00 0.00 C ATOM 584 O PHE A 38 5.010 5.580 -3.521 1.00 0.00 O ATOM 585 CB PHE A 38 4.089 7.091 -0.905 1.00 0.00 C ATOM 586 CG PHE A 38 4.694 7.961 0.198 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.963 8.435 0.072 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.963 8.261 1.305 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.524 9.243 1.096 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.525 9.069 2.329 1.00 0.00 C ATOM 591 CZ PHE A 38 5.793 9.543 2.203 1.00 0.00 C ATOM 0 H PHE A 38 2.958 8.993 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 38 5.452 7.870 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.007 7.062 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.451 6.070 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.544 8.197 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.956 7.885 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.531 9.619 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.945 9.307 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.220 10.158 2.982 1.00 0.00 H new ATOM 601 N CYS A 39 2.952 6.446 -3.878 1.00 0.00 N ATOM 602 CA CYS A 39 2.565 5.423 -4.834 1.00 0.00 C ATOM 603 C CYS A 39 2.417 6.080 -6.208 1.00 0.00 C ATOM 604 O CYS A 39 1.852 5.488 -7.126 1.00 0.00 O ATOM 605 CB CYS A 39 1.285 4.703 -4.405 1.00 0.00 C ATOM 606 SG CYS A 39 1.152 3.095 -5.269 1.00 0.00 S ATOM 0 H CYS A 39 2.238 7.152 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 39 3.337 4.655 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.290 4.546 -3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.416 5.321 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 39 0.355 2.311 -4.606 1.00 0.00 H new ATOM 612 N ALA A 40 2.936 7.295 -6.306 1.00 0.00 N ATOM 613 CA ALA A 40 2.869 8.039 -7.552 1.00 0.00 C ATOM 614 C ALA A 40 4.200 7.905 -8.293 1.00 0.00 C ATOM 615 O ALA A 40 4.224 7.591 -9.482 1.00 0.00 O ATOM 616 CB ALA A 40 2.510 9.497 -7.258 1.00 0.00 C ATOM 0 H ALA A 40 3.405 7.783 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 40 2.090 7.635 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.460 10.055 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.543 9.540 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.272 9.936 -6.614 1.00 0.00 H new ATOM 622 N SER A 41 5.277 8.149 -7.560 1.00 0.00 N ATOM 623 CA SER A 41 6.609 8.059 -8.133 1.00 0.00 C ATOM 624 C SER A 41 7.651 7.938 -7.020 1.00 0.00 C ATOM 625 O SER A 41 8.734 8.512 -7.113 1.00 0.00 O ATOM 626 CB SER A 41 6.912 9.273 -9.014 1.00 0.00 C ATOM 627 OG SER A 41 7.645 8.914 -10.183 1.00 0.00 O ATOM 0 H SER A 41 5.254 8.409 -6.574 1.00 0.00 H new ATOM 0 HA SER A 41 6.652 7.168 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.977 9.752 -9.305 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.480 10.005 -8.440 1.00 0.00 H new ATOM 0 HG SER A 41 7.818 9.715 -10.720 1.00 0.00 H new ATOM 633 N GLU A 42 7.286 7.186 -5.991 1.00 0.00 N ATOM 634 CA GLU A 42 8.176 6.983 -4.861 1.00 0.00 C ATOM 635 C GLU A 42 8.527 5.500 -4.722 1.00 0.00 C ATOM 636 O GLU A 42 9.700 5.142 -4.630 1.00 0.00 O ATOM 637 CB GLU A 42 7.555 7.522 -3.570 1.00 0.00 C ATOM 638 CG GLU A 42 8.634 7.828 -2.529 1.00 0.00 C ATOM 639 CD GLU A 42 8.980 9.319 -2.521 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.032 10.122 -2.652 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.186 9.620 -2.384 1.00 0.00 O ATOM 0 H GLU A 42 6.387 6.711 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 42 9.096 7.539 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.986 8.426 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.853 6.792 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.287 7.526 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.529 7.244 -2.745 1.00 0.00 H new ATOM 648 N TRP A 43 7.489 4.677 -4.712 1.00 0.00 N ATOM 649 CA TRP A 43 7.673 3.241 -4.586 1.00 0.00 C ATOM 650 C TRP A 43 8.103 2.699 -5.950 1.00 0.00 C ATOM 651 O TRP A 43 8.998 1.859 -6.034 1.00 0.00 O ATOM 652 CB TRP A 43 6.406 2.571 -4.049 1.00 0.00 C ATOM 653 CG TRP A 43 6.151 2.825 -2.562 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.033 3.199 -1.625 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.887 2.708 -1.875 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.433 3.331 -0.389 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.087 3.023 -0.546 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.618 2.348 -2.359 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.062 3.009 0.408 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.604 2.339 -1.394 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.789 2.653 -0.052 1.00 0.00 C ATOM 0 H TRP A 43 6.517 4.977 -4.789 1.00 0.00 H new ATOM 0 HA TRP A 43 8.453 3.014 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.549 2.927 -4.620 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.476 1.496 -4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.082 3.375 -1.813 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.893 3.604 0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.439 2.098 -3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.244 3.259 1.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.608 2.069 -1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.954 2.622 0.632 1.00 0.00 H new ATOM 672 N PRO A 44 7.428 3.213 -7.013 1.00 0.00 N ATOM 673 CA PRO A 44 7.732 2.790 -8.369 1.00 0.00 C ATOM 674 C PRO A 44 9.043 3.410 -8.857 1.00 0.00 C ATOM 675 O PRO A 44 9.437 3.213 -10.005 1.00 0.00 O ATOM 676 CB PRO A 44 6.529 3.218 -9.194 1.00 0.00 C ATOM 677 CG PRO A 44 5.810 4.271 -8.366 1.00 0.00 C ATOM 678 CD PRO A 44 6.362 4.209 -6.952 1.00 0.00 C ATOM 0 HA PRO A 44 7.890 1.714 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.840 3.623 -10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.876 2.370 -9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.964 5.262 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.736 4.087 -8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.744 5.179 -6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.591 3.920 -6.238 1.00 0.00 H new ATOM 686 N THR A 45 9.681 4.147 -7.960 1.00 0.00 N ATOM 687 CA THR A 45 10.939 4.797 -8.285 1.00 0.00 C ATOM 688 C THR A 45 12.047 4.315 -7.346 1.00 0.00 C ATOM 689 O THR A 45 13.057 4.995 -7.171 1.00 0.00 O ATOM 690 CB THR A 45 10.716 6.310 -8.235 1.00 0.00 C ATOM 691 OG1 THR A 45 9.963 6.511 -7.042 1.00 0.00 O ATOM 692 CG2 THR A 45 9.789 6.802 -9.349 1.00 0.00 C ATOM 0 H THR A 45 9.350 4.308 -7.009 1.00 0.00 H new ATOM 0 HA THR A 45 11.271 4.536 -9.290 1.00 0.00 H new ATOM 0 HB THR A 45 11.676 6.821 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.907 7.470 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.664 7.882 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.224 6.559 -10.318 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.818 6.316 -9.255 1.00 0.00 H new ATOM 700 N PHE A 46 11.820 3.146 -6.765 1.00 0.00 N ATOM 701 CA PHE A 46 12.785 2.566 -5.848 1.00 0.00 C ATOM 702 C PHE A 46 13.738 1.619 -6.582 1.00 0.00 C ATOM 703 O PHE A 46 14.734 1.172 -6.015 1.00 0.00 O ATOM 704 CB PHE A 46 11.993 1.769 -4.810 1.00 0.00 C ATOM 705 CG PHE A 46 11.528 2.599 -3.611 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.650 3.953 -3.634 1.00 0.00 C ATOM 707 CD2 PHE A 46 10.993 1.983 -2.524 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.218 4.724 -2.522 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.561 2.753 -1.412 1.00 0.00 C ATOM 710 CZ PHE A 46 10.683 4.107 -1.434 1.00 0.00 C ATOM 0 H PHE A 46 10.981 2.585 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 46 13.381 3.354 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.121 1.328 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.610 0.945 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.075 4.442 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.896 0.907 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.314 5.800 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.135 2.263 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.355 4.693 -0.588 1.00 0.00 H new ATOM 720 N ASP A 47 13.397 1.340 -7.832 1.00 0.00 N ATOM 721 CA ASP A 47 14.209 0.455 -8.649 1.00 0.00 C ATOM 722 C ASP A 47 14.107 -0.971 -8.104 1.00 0.00 C ATOM 723 O ASP A 47 15.049 -1.476 -7.494 1.00 0.00 O ATOM 724 CB ASP A 47 15.682 0.869 -8.615 1.00 0.00 C ATOM 725 CG ASP A 47 15.939 2.361 -8.838 1.00 0.00 C ATOM 726 OD1 ASP A 47 14.955 3.066 -9.149 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.113 2.763 -8.691 1.00 0.00 O ATOM 0 H ASP A 47 12.569 1.711 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 47 13.842 0.512 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.102 0.583 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.220 0.305 -9.377 1.00 0.00 H new ATOM 732 N VAL A 48 12.956 -1.581 -8.344 1.00 0.00 N ATOM 733 CA VAL A 48 12.718 -2.940 -7.886 1.00 0.00 C ATOM 734 C VAL A 48 11.730 -3.627 -8.830 1.00 0.00 C ATOM 735 O VAL A 48 12.053 -4.646 -9.437 1.00 0.00 O ATOM 736 CB VAL A 48 12.244 -2.925 -6.431 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.400 -2.604 -5.481 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.089 -1.941 -6.241 1.00 0.00 C ATOM 0 H VAL A 48 12.177 -1.159 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 48 13.642 -3.518 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 48 11.878 -3.922 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 48 13.036 -2.600 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.179 -3.359 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.810 -1.624 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.771 -1.950 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.418 -0.938 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.254 -2.233 -6.877 1.00 0.00 H new ATOM 748 N GLY A 49 10.545 -3.041 -8.923 1.00 0.00 N ATOM 749 CA GLY A 49 9.507 -3.584 -9.783 1.00 0.00 C ATOM 750 C GLY A 49 8.116 -3.204 -9.271 1.00 0.00 C ATOM 751 O GLY A 49 7.203 -4.027 -9.275 1.00 0.00 O ATOM 0 H GLY A 49 10.281 -2.196 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.639 -3.211 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.598 -4.669 -9.828 1.00 0.00 H new ATOM 755 N TRP A 50 7.999 -1.955 -8.843 1.00 0.00 N ATOM 756 CA TRP A 50 6.735 -1.455 -8.329 1.00 0.00 C ATOM 757 C TRP A 50 6.119 -0.545 -9.393 1.00 0.00 C ATOM 758 O TRP A 50 6.744 0.422 -9.825 1.00 0.00 O ATOM 759 CB TRP A 50 6.929 -0.755 -6.983 1.00 0.00 C ATOM 760 CG TRP A 50 5.667 -0.076 -6.447 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.186 1.135 -6.758 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.739 -0.623 -5.487 1.00 0.00 C ATOM 763 NE1 TRP A 50 4.021 1.408 -6.072 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.740 0.305 -5.274 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.743 -1.860 -4.820 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.671 0.094 -4.395 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.668 -2.057 -3.944 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.655 -1.133 -3.719 1.00 0.00 C ATOM 0 H TRP A 50 8.759 -1.275 -8.842 1.00 0.00 H new ATOM 0 HA TRP A 50 6.046 -2.277 -8.133 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.275 -1.486 -6.252 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.716 -0.008 -7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.652 1.813 -7.458 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.467 2.262 -6.138 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.514 -2.601 -4.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.901 0.836 -4.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.623 -2.992 -3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.858 -1.360 -3.026 1.00 0.00 H new ATOM 779 N PRO A 51 4.868 -0.896 -9.795 1.00 0.00 N ATOM 780 CA PRO A 51 4.161 -0.122 -10.801 1.00 0.00 C ATOM 781 C PRO A 51 3.641 1.192 -10.215 1.00 0.00 C ATOM 782 O PRO A 51 3.597 1.359 -8.997 1.00 0.00 O ATOM 783 CB PRO A 51 3.048 -1.036 -11.290 1.00 0.00 C ATOM 784 CG PRO A 51 2.886 -2.104 -10.221 1.00 0.00 C ATOM 785 CD PRO A 51 4.098 -2.036 -9.306 1.00 0.00 C ATOM 0 HA PRO A 51 4.803 0.180 -11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.121 -0.481 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.303 -1.481 -12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.970 -1.940 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.807 -3.091 -10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.802 -1.897 -8.266 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.681 -2.956 -9.351 1.00 0.00 H new ATOM 793 N PRO A 52 3.250 2.116 -11.134 1.00 0.00 N ATOM 794 CA PRO A 52 2.735 3.410 -10.721 1.00 0.00 C ATOM 795 C PRO A 52 1.306 3.287 -10.186 1.00 0.00 C ATOM 796 O PRO A 52 0.931 3.980 -9.242 1.00 0.00 O ATOM 797 CB PRO A 52 2.831 4.285 -11.960 1.00 0.00 C ATOM 798 CG PRO A 52 2.959 3.331 -13.136 1.00 0.00 C ATOM 799 CD PRO A 52 3.288 1.953 -12.584 1.00 0.00 C ATOM 0 HA PRO A 52 3.302 3.844 -9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.947 4.915 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.692 4.951 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.031 3.302 -13.707 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.742 3.667 -13.817 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.564 1.209 -12.918 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.269 1.616 -12.919 1.00 0.00 H new ATOM 807 N GLU A 53 0.549 2.398 -10.812 1.00 0.00 N ATOM 808 CA GLU A 53 -0.830 2.175 -10.411 1.00 0.00 C ATOM 809 C GLU A 53 -0.880 1.393 -9.097 1.00 0.00 C ATOM 810 O GLU A 53 -1.930 1.306 -8.462 1.00 0.00 O ATOM 811 CB GLU A 53 -1.610 1.452 -11.511 1.00 0.00 C ATOM 812 CG GLU A 53 -2.103 2.437 -12.573 1.00 0.00 C ATOM 813 CD GLU A 53 -3.249 3.296 -12.035 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.454 3.261 -10.802 1.00 0.00 O ATOM 815 OE2 GLU A 53 -3.894 3.968 -12.868 1.00 0.00 O ATOM 0 H GLU A 53 0.864 1.824 -11.594 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.304 3.144 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.975 0.698 -11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.460 0.927 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.280 3.079 -12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.437 1.890 -13.455 1.00 0.00 H new ATOM 822 N GLY A 54 0.267 0.843 -8.729 1.00 0.00 N ATOM 823 CA GLY A 54 0.367 0.071 -7.502 1.00 0.00 C ATOM 824 C GLY A 54 0.179 -1.423 -7.777 1.00 0.00 C ATOM 825 O GLY A 54 -0.069 -1.822 -8.914 1.00 0.00 O ATOM 0 H GLY A 54 1.136 0.916 -9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.340 0.240 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.386 0.411 -6.792 1.00 0.00 H new ATOM 829 N THR A 55 0.303 -2.207 -6.717 1.00 0.00 N ATOM 830 CA THR A 55 0.149 -3.648 -6.830 1.00 0.00 C ATOM 831 C THR A 55 -0.136 -4.263 -5.459 1.00 0.00 C ATOM 832 O THR A 55 0.347 -3.770 -4.440 1.00 0.00 O ATOM 833 CB THR A 55 1.407 -4.207 -7.497 1.00 0.00 C ATOM 834 OG1 THR A 55 1.101 -5.580 -7.722 1.00 0.00 O ATOM 835 CG2 THR A 55 2.607 -4.243 -6.548 1.00 0.00 C ATOM 0 H THR A 55 0.508 -1.872 -5.776 1.00 0.00 H new ATOM 0 HA THR A 55 -0.708 -3.907 -7.452 1.00 0.00 H new ATOM 0 HB THR A 55 1.653 -3.603 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.864 -6.019 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.473 -4.648 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.830 -3.233 -6.205 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.374 -4.874 -5.690 1.00 0.00 H new ATOM 843 N PHE A 56 -0.919 -5.332 -5.476 1.00 0.00 N ATOM 844 CA PHE A 56 -1.274 -6.020 -4.246 1.00 0.00 C ATOM 845 C PHE A 56 -0.470 -7.312 -4.089 1.00 0.00 C ATOM 846 O PHE A 56 -1.026 -8.356 -3.753 1.00 0.00 O ATOM 847 CB PHE A 56 -2.761 -6.367 -4.341 1.00 0.00 C ATOM 848 CG PHE A 56 -3.694 -5.179 -4.098 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.631 -4.494 -2.924 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.585 -4.806 -5.055 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.497 -3.392 -2.698 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.451 -3.704 -4.829 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.388 -3.020 -3.656 1.00 0.00 C ATOM 0 H PHE A 56 -1.318 -5.739 -6.322 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.059 -5.383 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.965 -6.780 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.988 -7.149 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.922 -4.789 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.634 -5.348 -5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.448 -2.849 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.160 -3.409 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.046 -2.181 -3.485 1.00 0.00 H new ATOM 863 N ASP A 57 0.826 -7.199 -4.340 1.00 0.00 N ATOM 864 CA ASP A 57 1.712 -8.346 -4.231 1.00 0.00 C ATOM 865 C ASP A 57 2.479 -8.268 -2.909 1.00 0.00 C ATOM 866 O ASP A 57 3.150 -7.275 -2.634 1.00 0.00 O ATOM 867 CB ASP A 57 2.734 -8.363 -5.369 1.00 0.00 C ATOM 868 CG ASP A 57 3.631 -9.601 -5.415 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.511 -10.423 -4.481 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.416 -9.698 -6.383 1.00 0.00 O ATOM 0 H ASP A 57 1.284 -6.331 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 57 1.103 -9.248 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.201 -8.284 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.365 -7.479 -5.283 1.00 0.00 H new ATOM 875 N LEU A 58 2.353 -9.329 -2.126 1.00 0.00 N ATOM 876 CA LEU A 58 3.025 -9.394 -0.839 1.00 0.00 C ATOM 877 C LEU A 58 4.537 -9.464 -1.062 1.00 0.00 C ATOM 878 O LEU A 58 5.314 -9.063 -0.197 1.00 0.00 O ATOM 879 CB LEU A 58 2.473 -10.551 -0.004 1.00 0.00 C ATOM 880 CG LEU A 58 2.178 -10.236 1.464 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.469 -10.175 2.282 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.355 -8.953 1.596 1.00 0.00 C ATOM 0 H LEU A 58 1.795 -10.151 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 58 2.828 -8.491 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.554 -10.904 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.187 -11.374 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 58 1.576 -11.048 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.231 -9.950 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.980 -11.136 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.117 -9.396 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.160 -8.753 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.909 -8.119 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.409 -9.072 1.068 1.00 0.00 H new ATOM 894 N THR A 59 4.909 -9.976 -2.226 1.00 0.00 N ATOM 895 CA THR A 59 6.314 -10.103 -2.573 1.00 0.00 C ATOM 896 C THR A 59 6.902 -8.735 -2.926 1.00 0.00 C ATOM 897 O THR A 59 7.939 -8.345 -2.391 1.00 0.00 O ATOM 898 CB THR A 59 6.430 -11.124 -3.706 1.00 0.00 C ATOM 899 OG1 THR A 59 6.185 -12.376 -3.071 1.00 0.00 O ATOM 900 CG2 THR A 59 7.860 -11.249 -4.237 1.00 0.00 C ATOM 0 H THR A 59 4.261 -10.308 -2.941 1.00 0.00 H new ATOM 0 HA THR A 59 6.899 -10.465 -1.728 1.00 0.00 H new ATOM 0 HB THR A 59 5.764 -10.840 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.239 -13.095 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.887 -11.986 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.192 -10.284 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.521 -11.566 -3.431 1.00 0.00 H new ATOM 908 N VAL A 60 6.214 -8.044 -3.823 1.00 0.00 N ATOM 909 CA VAL A 60 6.656 -6.728 -4.252 1.00 0.00 C ATOM 910 C VAL A 60 6.527 -5.746 -3.086 1.00 0.00 C ATOM 911 O VAL A 60 7.407 -4.914 -2.871 1.00 0.00 O ATOM 912 CB VAL A 60 5.871 -6.292 -5.491 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.429 -4.987 -6.063 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.861 -7.395 -6.551 1.00 0.00 C ATOM 0 H VAL A 60 5.354 -8.370 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 60 7.707 -6.753 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 60 4.840 -6.111 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.853 -4.700 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.359 -4.201 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.473 -5.129 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.296 -7.059 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.885 -7.623 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.395 -8.290 -6.140 1.00 0.00 H new ATOM 924 N ILE A 61 5.423 -5.875 -2.365 1.00 0.00 N ATOM 925 CA ILE A 61 5.168 -5.009 -1.226 1.00 0.00 C ATOM 926 C ILE A 61 6.331 -5.118 -0.237 1.00 0.00 C ATOM 927 O ILE A 61 6.858 -4.105 0.220 1.00 0.00 O ATOM 928 CB ILE A 61 3.804 -5.323 -0.609 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.670 -4.769 -1.473 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.726 -4.818 0.833 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.314 -5.301 -1.005 1.00 0.00 C ATOM 0 H ILE A 61 4.695 -6.566 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 61 5.116 -3.968 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 61 3.684 -6.406 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.673 -3.680 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.833 -5.045 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.746 -5.054 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.499 -5.301 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.877 -3.739 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.525 -4.892 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.306 -6.389 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.143 -5.002 0.029 1.00 0.00 H new ATOM 943 N PHE A 62 6.697 -6.355 0.063 1.00 0.00 N ATOM 944 CA PHE A 62 7.787 -6.609 0.989 1.00 0.00 C ATOM 945 C PHE A 62 9.078 -5.941 0.512 1.00 0.00 C ATOM 946 O PHE A 62 9.894 -5.508 1.325 1.00 0.00 O ATOM 947 CB PHE A 62 7.995 -8.125 1.029 1.00 0.00 C ATOM 948 CG PHE A 62 7.458 -8.793 2.296 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.153 -8.638 2.646 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.286 -9.543 3.073 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.655 -9.259 3.821 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.787 -10.163 4.248 1.00 0.00 C ATOM 953 CZ PHE A 62 6.482 -10.008 4.598 1.00 0.00 C ATOM 0 H PHE A 62 6.258 -7.193 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 62 7.543 -6.206 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.509 -8.571 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.060 -8.338 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.496 -8.042 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.322 -9.666 2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.618 -9.137 4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.444 -10.758 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.103 -10.480 5.493 1.00 0.00 H new ATOM 963 N GLU A 63 9.224 -5.879 -0.803 1.00 0.00 N ATOM 964 CA GLU A 63 10.402 -5.271 -1.398 1.00 0.00 C ATOM 965 C GLU A 63 10.442 -3.773 -1.085 1.00 0.00 C ATOM 966 O GLU A 63 11.447 -3.265 -0.591 1.00 0.00 O ATOM 967 CB GLU A 63 10.443 -5.517 -2.907 1.00 0.00 C ATOM 968 CG GLU A 63 10.678 -6.997 -3.215 1.00 0.00 C ATOM 969 CD GLU A 63 12.123 -7.397 -2.915 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.017 -6.594 -3.258 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.302 -8.497 -2.349 1.00 0.00 O ATOM 0 H GLU A 63 8.546 -6.240 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 63 11.286 -5.737 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.505 -5.193 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.236 -4.918 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.997 -7.608 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.453 -7.194 -4.263 1.00 0.00 H new ATOM 978 N VAL A 64 9.336 -3.109 -1.386 1.00 0.00 N ATOM 979 CA VAL A 64 9.232 -1.680 -1.143 1.00 0.00 C ATOM 980 C VAL A 64 9.304 -1.416 0.362 1.00 0.00 C ATOM 981 O VAL A 64 9.946 -0.462 0.799 1.00 0.00 O ATOM 982 CB VAL A 64 7.955 -1.132 -1.785 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.578 0.224 -1.184 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.104 -1.035 -3.305 1.00 0.00 C ATOM 0 H VAL A 64 8.504 -3.534 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 64 10.066 -1.152 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 64 7.146 -1.830 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.667 0.591 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.411 0.113 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.387 0.935 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.183 -0.643 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.931 -0.368 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.304 -2.025 -3.715 1.00 0.00 H new ATOM 994 N LYS A 65 8.638 -2.280 1.115 1.00 0.00 N ATOM 995 CA LYS A 65 8.619 -2.152 2.562 1.00 0.00 C ATOM 996 C LYS A 65 10.034 -2.360 3.107 1.00 0.00 C ATOM 997 O LYS A 65 10.526 -1.551 3.891 1.00 0.00 O ATOM 998 CB LYS A 65 7.581 -3.097 3.170 1.00 0.00 C ATOM 999 CG LYS A 65 7.707 -3.144 4.694 1.00 0.00 C ATOM 1000 CD LYS A 65 7.057 -4.408 5.259 1.00 0.00 C ATOM 1001 CE LYS A 65 5.889 -4.058 6.183 1.00 0.00 C ATOM 1002 NZ LYS A 65 4.888 -5.148 6.189 1.00 0.00 N ATOM 0 H LYS A 65 8.108 -3.071 0.750 1.00 0.00 H new ATOM 0 HA LYS A 65 8.310 -1.148 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.579 -2.768 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.712 -4.098 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.759 -3.115 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.235 -2.263 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.703 -5.036 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.799 -4.988 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.257 -3.888 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.422 -3.130 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.023 -4.822 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.663 -5.418 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.274 -5.971 6.695 1.00 0.00 H new ATOM 1016 N ALA A 66 10.647 -3.450 2.669 1.00 0.00 N ATOM 1017 CA ALA A 66 11.995 -3.775 3.103 1.00 0.00 C ATOM 1018 C ALA A 66 12.919 -2.591 2.813 1.00 0.00 C ATOM 1019 O ALA A 66 13.936 -2.414 3.482 1.00 0.00 O ATOM 1020 CB ALA A 66 12.458 -5.059 2.412 1.00 0.00 C ATOM 0 H ALA A 66 10.235 -4.119 2.018 1.00 0.00 H new ATOM 0 HA ALA A 66 12.019 -3.956 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.469 -5.303 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.786 -5.876 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.450 -4.914 1.332 1.00 0.00 H new ATOM 1026 N ILE A 67 12.532 -1.811 1.814 1.00 0.00 N ATOM 1027 CA ILE A 67 13.313 -0.648 1.427 1.00 0.00 C ATOM 1028 C ILE A 67 13.093 0.471 2.446 1.00 0.00 C ATOM 1029 O ILE A 67 14.051 1.024 2.984 1.00 0.00 O ATOM 1030 CB ILE A 67 12.992 -0.242 -0.012 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.541 -1.266 -1.007 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.495 1.172 -0.308 1.00 0.00 C ATOM 1033 CD1 ILE A 67 12.857 -1.130 -2.369 1.00 0.00 C ATOM 0 H ILE A 67 11.688 -1.962 1.261 1.00 0.00 H new ATOM 0 HA ILE A 67 14.377 -0.883 1.437 1.00 0.00 H new ATOM 0 HB ILE A 67 11.908 -0.229 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.616 -1.127 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.389 -2.273 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.254 1.436 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.015 1.878 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.575 1.211 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.266 -1.870 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.785 -1.293 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.032 -0.130 -2.766 1.00 0.00 H new ATOM 1045 N VAL A 68 11.824 0.773 2.681 1.00 0.00 N ATOM 1046 CA VAL A 68 11.465 1.817 3.626 1.00 0.00 C ATOM 1047 C VAL A 68 11.880 1.388 5.035 1.00 0.00 C ATOM 1048 O VAL A 68 12.292 2.217 5.844 1.00 0.00 O ATOM 1049 CB VAL A 68 9.973 2.136 3.512 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.511 2.086 2.054 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.143 1.190 4.383 1.00 0.00 C ATOM 0 H VAL A 68 11.032 0.313 2.233 1.00 0.00 H new ATOM 0 HA VAL A 68 11.998 2.740 3.397 1.00 0.00 H new ATOM 0 HB VAL A 68 9.818 3.151 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.447 2.316 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.070 2.817 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.687 1.089 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.086 1.438 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.306 0.162 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.445 1.296 5.425 1.00 0.00 H new ATOM 1061 N PHE A 69 11.756 0.093 5.285 1.00 0.00 N ATOM 1062 CA PHE A 69 12.112 -0.457 6.582 1.00 0.00 C ATOM 1063 C PHE A 69 13.584 -0.872 6.615 1.00 0.00 C ATOM 1064 O PHE A 69 13.971 -1.739 7.398 1.00 0.00 O ATOM 1065 CB PHE A 69 11.240 -1.695 6.798 1.00 0.00 C ATOM 1066 CG PHE A 69 9.841 -1.384 7.335 1.00 0.00 C ATOM 1067 CD1 PHE A 69 8.818 -1.149 6.470 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.621 -1.344 8.676 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.520 -0.860 6.968 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.323 -1.056 9.174 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.299 -0.820 8.309 1.00 0.00 C ATOM 0 H PHE A 69 11.414 -0.592 4.611 1.00 0.00 H new ATOM 0 HA PHE A 69 11.955 0.291 7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.145 -2.229 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.744 -2.365 7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.993 -1.182 5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.434 -1.531 9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.708 -0.672 6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.148 -1.024 10.239 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.311 -0.601 8.688 1.00 0.00 H new ATOM 1081 N GLN A 70 14.366 -0.234 5.756 1.00 0.00 N ATOM 1082 CA GLN A 70 15.787 -0.527 5.678 1.00 0.00 C ATOM 1083 C GLN A 70 16.544 0.217 6.780 1.00 0.00 C ATOM 1084 O GLN A 70 15.932 0.807 7.668 1.00 0.00 O ATOM 1085 CB GLN A 70 16.344 -0.175 4.297 1.00 0.00 C ATOM 1086 CG GLN A 70 16.522 1.337 4.146 1.00 0.00 C ATOM 1087 CD GLN A 70 17.015 1.694 2.742 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.184 1.567 2.416 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.061 2.146 1.933 1.00 0.00 N ATOM 0 H GLN A 70 14.042 0.484 5.108 1.00 0.00 H new ATOM 0 HA GLN A 70 15.926 -1.598 5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.302 -0.674 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.670 -0.544 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.575 1.840 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.234 1.699 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.102 2.227 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.288 2.411 0.975 1.00 0.00 H new ATOM 1098 N ASP A 71 17.864 0.164 6.686 1.00 0.00 N ATOM 1099 CA ASP A 71 18.711 0.826 7.664 1.00 0.00 C ATOM 1100 C ASP A 71 19.266 2.117 7.061 1.00 0.00 C ATOM 1101 O ASP A 71 19.174 2.333 5.853 1.00 0.00 O ATOM 1102 CB ASP A 71 19.896 -0.060 8.056 1.00 0.00 C ATOM 1103 CG ASP A 71 20.861 0.561 9.067 1.00 0.00 C ATOM 1104 OD1 ASP A 71 21.803 1.243 8.608 1.00 0.00 O ATOM 1105 OD2 ASP A 71 20.635 0.341 10.276 1.00 0.00 O ATOM 0 H ASP A 71 18.368 -0.327 5.948 1.00 0.00 H new ATOM 0 HA ASP A 71 18.107 1.033 8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.512 -0.993 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.453 -0.316 7.155 1.00 0.00 H new ATOM 1110 N GLY A 72 19.830 2.944 7.929 1.00 0.00 N ATOM 1111 CA GLY A 72 20.400 4.209 7.497 1.00 0.00 C ATOM 1112 C GLY A 72 19.314 5.274 7.339 1.00 0.00 C ATOM 1113 O GLY A 72 18.142 5.016 7.611 1.00 0.00 O ATOM 0 H GLY A 72 19.904 2.763 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 72 21.141 4.545 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.921 4.072 6.549 1.00 0.00 H new ATOM 1117 N PRO A 73 19.752 6.480 6.888 1.00 0.00 N ATOM 1118 CA PRO A 73 18.830 7.585 6.690 1.00 0.00 C ATOM 1119 C PRO A 73 17.991 7.380 5.428 1.00 0.00 C ATOM 1120 O PRO A 73 17.091 8.168 5.141 1.00 0.00 O ATOM 1121 CB PRO A 73 19.709 8.823 6.624 1.00 0.00 C ATOM 1122 CG PRO A 73 21.112 8.323 6.321 1.00 0.00 C ATOM 1123 CD PRO A 73 21.132 6.821 6.556 1.00 0.00 C ATOM 0 HA PRO A 73 18.100 7.673 7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.362 9.507 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.684 9.370 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.385 8.552 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.841 8.819 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.470 6.286 5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.811 6.556 7.366 1.00 0.00 H new ATOM 1131 N GLY A 74 18.314 6.316 4.707 1.00 0.00 N ATOM 1132 CA GLY A 74 17.601 5.997 3.482 1.00 0.00 C ATOM 1133 C GLY A 74 16.188 5.494 3.785 1.00 0.00 C ATOM 1134 O GLY A 74 15.271 5.691 2.989 1.00 0.00 O ATOM 0 H GLY A 74 19.060 5.664 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.548 6.881 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.150 5.237 2.925 1.00 0.00 H new ATOM 1138 N SER A 75 16.056 4.855 4.939 1.00 0.00 N ATOM 1139 CA SER A 75 14.771 4.323 5.357 1.00 0.00 C ATOM 1140 C SER A 75 13.713 5.429 5.331 1.00 0.00 C ATOM 1141 O SER A 75 14.047 6.612 5.337 1.00 0.00 O ATOM 1142 CB SER A 75 14.858 3.706 6.754 1.00 0.00 C ATOM 1143 OG SER A 75 15.478 4.585 7.688 1.00 0.00 O ATOM 0 H SER A 75 16.819 4.694 5.597 1.00 0.00 H new ATOM 0 HA SER A 75 14.484 3.537 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.856 3.455 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.421 2.774 6.704 1.00 0.00 H new ATOM 0 HG SER A 75 16.448 4.583 7.545 1.00 0.00 H new ATOM 1149 N HIS A 76 12.459 5.003 5.302 1.00 0.00 N ATOM 1150 CA HIS A 76 11.350 5.942 5.274 1.00 0.00 C ATOM 1151 C HIS A 76 10.350 5.587 6.376 1.00 0.00 C ATOM 1152 O HIS A 76 9.496 4.722 6.188 1.00 0.00 O ATOM 1153 CB HIS A 76 10.711 5.989 3.885 1.00 0.00 C ATOM 1154 CG HIS A 76 11.681 5.740 2.754 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.669 6.643 2.402 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.805 4.682 1.903 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.350 6.141 1.382 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.812 4.926 1.074 1.00 0.00 N ATOM 0 H HIS A 76 12.186 4.020 5.297 1.00 0.00 H new ATOM 0 HA HIS A 76 11.716 6.949 5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.915 5.246 3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.246 6.965 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.188 3.796 1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.184 6.611 0.883 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.131 4.307 0.329 1.00 0.00 H new ATOM 1166 N PRO A 77 10.492 6.291 7.530 1.00 0.00 N ATOM 1167 CA PRO A 77 9.610 6.059 8.662 1.00 0.00 C ATOM 1168 C PRO A 77 8.230 6.673 8.417 1.00 0.00 C ATOM 1169 O PRO A 77 7.313 6.484 9.214 1.00 0.00 O ATOM 1170 CB PRO A 77 10.330 6.671 9.853 1.00 0.00 C ATOM 1171 CG PRO A 77 11.360 7.626 9.272 1.00 0.00 C ATOM 1172 CD PRO A 77 11.492 7.324 7.788 1.00 0.00 C ATOM 0 HA PRO A 77 9.414 5.000 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.632 7.198 10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.809 5.901 10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.051 8.660 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.320 7.503 9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.308 8.213 7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.495 6.975 7.543 1.00 0.00 H new ATOM 1180 N ASP A 78 8.127 7.395 7.311 1.00 0.00 N ATOM 1181 CA ASP A 78 6.874 8.037 6.951 1.00 0.00 C ATOM 1182 C ASP A 78 6.036 7.074 6.108 1.00 0.00 C ATOM 1183 O ASP A 78 4.812 7.044 6.227 1.00 0.00 O ATOM 1184 CB ASP A 78 7.121 9.299 6.122 1.00 0.00 C ATOM 1185 CG ASP A 78 8.255 9.190 5.101 1.00 0.00 C ATOM 1186 OD1 ASP A 78 8.632 8.039 4.792 1.00 0.00 O ATOM 1187 OD2 ASP A 78 8.719 10.261 4.652 1.00 0.00 O ATOM 0 H ASP A 78 8.890 7.550 6.652 1.00 0.00 H new ATOM 0 HA ASP A 78 6.356 8.305 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.202 9.555 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.341 10.124 6.800 1.00 0.00 H new ATOM 1192 N GLN A 79 6.728 6.310 5.277 1.00 0.00 N ATOM 1193 CA GLN A 79 6.062 5.348 4.415 1.00 0.00 C ATOM 1194 C GLN A 79 5.902 4.009 5.138 1.00 0.00 C ATOM 1195 O GLN A 79 5.112 3.164 4.719 1.00 0.00 O ATOM 1196 CB GLN A 79 6.823 5.172 3.099 1.00 0.00 C ATOM 1197 CG GLN A 79 6.702 6.422 2.225 1.00 0.00 C ATOM 1198 CD GLN A 79 8.083 6.955 1.836 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.588 7.912 2.400 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.662 6.285 0.844 1.00 0.00 N ATOM 0 H GLN A 79 7.743 6.337 5.182 1.00 0.00 H new ATOM 0 HA GLN A 79 5.070 5.731 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.874 4.969 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.432 4.308 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.132 6.188 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.149 7.193 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.183 5.493 0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.585 6.563 0.511 1.00 0.00 H new ATOM 1209 N GLN A 80 6.664 3.857 6.211 1.00 0.00 N ATOM 1210 CA GLN A 80 6.616 2.636 6.996 1.00 0.00 C ATOM 1211 C GLN A 80 5.165 2.256 7.300 1.00 0.00 C ATOM 1212 O GLN A 80 4.766 1.109 7.106 1.00 0.00 O ATOM 1213 CB GLN A 80 7.426 2.781 8.286 1.00 0.00 C ATOM 1214 CG GLN A 80 8.805 2.134 8.143 1.00 0.00 C ATOM 1215 CD GLN A 80 9.747 2.599 9.255 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.347 2.845 10.381 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.018 2.707 8.877 1.00 0.00 N ATOM 0 H GLN A 80 7.318 4.560 6.555 1.00 0.00 H new ATOM 0 HA GLN A 80 7.066 1.834 6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.539 3.837 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.887 2.318 9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.707 1.049 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.230 2.387 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.285 2.485 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.725 3.012 9.546 1.00 0.00 H new ATOM 1226 N PRO A 81 4.395 3.268 7.783 1.00 0.00 N ATOM 1227 CA PRO A 81 2.997 3.052 8.115 1.00 0.00 C ATOM 1228 C PRO A 81 2.141 2.959 6.850 1.00 0.00 C ATOM 1229 O PRO A 81 1.046 2.400 6.878 1.00 0.00 O ATOM 1230 CB PRO A 81 2.618 4.226 9.003 1.00 0.00 C ATOM 1231 CG PRO A 81 3.673 5.292 8.758 1.00 0.00 C ATOM 1232 CD PRO A 81 4.834 4.640 8.025 1.00 0.00 C ATOM 0 HA PRO A 81 2.829 2.107 8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.623 4.597 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.597 3.931 10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.260 6.109 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.010 5.720 9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.053 5.157 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.745 4.665 8.624 1.00 0.00 H new ATOM 1240 N TYR A 82 2.673 3.515 5.772 1.00 0.00 N ATOM 1241 CA TYR A 82 1.972 3.501 4.499 1.00 0.00 C ATOM 1242 C TYR A 82 2.133 2.150 3.799 1.00 0.00 C ATOM 1243 O TYR A 82 1.151 1.553 3.361 1.00 0.00 O ATOM 1244 CB TYR A 82 2.628 4.587 3.644 1.00 0.00 C ATOM 1245 CG TYR A 82 2.256 6.013 4.056 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.525 6.454 5.336 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.652 6.858 3.148 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.175 7.796 5.724 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.302 8.200 3.535 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.581 8.603 4.804 1.00 0.00 C ATOM 1251 OH TYR A 82 1.250 9.870 5.170 1.00 0.00 O ATOM 0 H TYR A 82 3.582 3.978 5.753 1.00 0.00 H new ATOM 0 HA TYR A 82 0.906 3.673 4.646 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.711 4.474 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.345 4.435 2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.998 5.793 6.047 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.442 6.513 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.379 8.153 6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.829 8.871 2.834 1.00 0.00 H new ATOM 0 HH TYR A 82 2.001 10.471 4.983 1.00 0.00 H new ATOM 1261 N ILE A 83 3.379 1.708 3.715 1.00 0.00 N ATOM 1262 CA ILE A 83 3.681 0.439 3.076 1.00 0.00 C ATOM 1263 C ILE A 83 3.086 -0.700 3.906 1.00 0.00 C ATOM 1264 O ILE A 83 2.547 -1.658 3.354 1.00 0.00 O ATOM 1265 CB ILE A 83 5.187 0.305 2.837 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.486 -0.820 1.844 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.937 0.118 4.157 1.00 0.00 C ATOM 1268 CD1 ILE A 83 5.019 -0.447 0.435 1.00 0.00 C ATOM 0 H ILE A 83 4.191 2.206 4.079 1.00 0.00 H new ATOM 0 HA ILE A 83 3.219 0.389 2.090 1.00 0.00 H new ATOM 0 HB ILE A 83 5.546 1.233 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.556 -1.026 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.989 -1.735 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.005 0.025 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.761 0.980 4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.580 -0.785 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.244 -1.264 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.944 -0.266 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.536 0.455 0.107 1.00 0.00 H new ATOM 1280 N THR A 84 3.204 -0.558 5.218 1.00 0.00 N ATOM 1281 CA THR A 84 2.685 -1.563 6.129 1.00 0.00 C ATOM 1282 C THR A 84 1.221 -1.871 5.805 1.00 0.00 C ATOM 1283 O THR A 84 0.851 -3.031 5.633 1.00 0.00 O ATOM 1284 CB THR A 84 2.898 -1.061 7.558 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.287 -1.275 7.798 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.201 -1.940 8.598 1.00 0.00 C ATOM 0 H THR A 84 3.652 0.238 5.672 1.00 0.00 H new ATOM 0 HA THR A 84 3.216 -2.509 6.019 1.00 0.00 H new ATOM 0 HB THR A 84 2.530 -0.039 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.806 -0.555 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.384 -1.539 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.129 -1.953 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.593 -2.955 8.538 1.00 0.00 H new ATOM 1294 N VAL A 85 0.429 -0.811 5.732 1.00 0.00 N ATOM 1295 CA VAL A 85 -0.985 -0.954 5.433 1.00 0.00 C ATOM 1296 C VAL A 85 -1.149 -1.715 4.116 1.00 0.00 C ATOM 1297 O VAL A 85 -1.983 -2.614 4.014 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.658 0.421 5.416 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.059 0.338 4.808 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.704 1.026 6.820 1.00 0.00 C ATOM 0 H VAL A 85 0.740 0.150 5.875 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.482 -1.536 6.209 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.059 1.080 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.515 1.328 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.990 -0.030 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.672 -0.344 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.187 2.002 6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.269 0.369 7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.689 1.139 7.201 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.340 -1.328 3.141 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.385 -1.963 1.835 1.00 0.00 C ATOM 1312 C TRP A 86 -0.209 -3.470 2.035 1.00 0.00 C ATOM 1313 O TRP A 86 -0.865 -4.269 1.369 1.00 0.00 O ATOM 1314 CB TRP A 86 0.661 -1.359 0.895 1.00 0.00 C ATOM 1315 CG TRP A 86 0.135 -0.206 0.038 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.080 1.096 0.351 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.411 -0.304 -1.294 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.459 1.841 -0.677 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.767 0.963 -1.710 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.598 -1.425 -2.121 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.332 1.228 -2.963 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.164 -1.144 -3.370 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.528 0.126 -3.803 1.00 0.00 C ATOM 0 H TRP A 86 0.351 -0.583 3.229 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.347 -1.786 1.353 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.504 -1.003 1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.040 -2.142 0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.416 1.510 1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.605 2.851 -0.679 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.326 -2.425 -1.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.602 2.229 -3.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.329 -1.971 -4.044 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.960 0.262 -4.783 1.00 0.00 H new ATOM 1334 N GLN A 87 0.680 -3.812 2.956 1.00 0.00 N ATOM 1335 CA GLN A 87 0.951 -5.208 3.253 1.00 0.00 C ATOM 1336 C GLN A 87 -0.257 -5.849 3.940 1.00 0.00 C ATOM 1337 O GLN A 87 -0.598 -6.997 3.660 1.00 0.00 O ATOM 1338 CB GLN A 87 2.210 -5.353 4.110 1.00 0.00 C ATOM 1339 CG GLN A 87 2.364 -6.787 4.621 1.00 0.00 C ATOM 1340 CD GLN A 87 2.198 -6.849 6.140 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.808 -5.891 6.788 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.514 -8.027 6.671 1.00 0.00 N ATOM 0 H GLN A 87 1.222 -3.146 3.506 1.00 0.00 H new ATOM 0 HA GLN A 87 1.130 -5.730 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.087 -5.076 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.160 -4.666 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.623 -7.428 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.345 -7.172 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.834 -8.787 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.436 -8.170 7.678 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.871 -5.078 4.826 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.033 -5.556 5.555 1.00 0.00 C ATOM 1353 C ASP A 88 -3.182 -5.796 4.573 1.00 0.00 C ATOM 1354 O ASP A 88 -3.938 -6.755 4.719 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.499 -4.525 6.585 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.087 -5.114 7.868 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.449 -6.310 7.830 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.162 -4.356 8.859 1.00 0.00 O ATOM 0 H ASP A 88 -0.585 -4.126 5.055 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.755 -6.477 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.654 -3.889 6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.248 -3.883 6.121 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.277 -4.908 3.594 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.321 -5.011 2.589 1.00 0.00 C ATOM 1365 C LEU A 89 -4.261 -6.394 1.938 1.00 0.00 C ATOM 1366 O LEU A 89 -5.258 -7.114 1.908 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.220 -3.856 1.591 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.855 -2.534 2.027 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.101 -1.342 1.434 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.344 -2.501 1.680 1.00 0.00 C ATOM 0 H LEU A 89 -2.648 -4.114 3.476 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.304 -4.918 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.166 -3.677 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.685 -4.168 0.656 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.776 -2.458 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.573 -0.415 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.065 -1.361 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.127 -1.400 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.771 -1.551 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.469 -2.610 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.854 -3.318 2.189 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.082 -6.724 1.432 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.879 -8.008 0.783 1.00 0.00 C ATOM 1384 C VAL A 90 -3.154 -9.131 1.785 1.00 0.00 C ATOM 1385 O VAL A 90 -4.005 -9.986 1.547 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.473 -8.074 0.182 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.250 -9.402 -0.545 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -1.220 -6.889 -0.751 1.00 0.00 C ATOM 0 H VAL A 90 -2.257 -6.124 1.458 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.578 -8.132 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.755 -8.015 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.244 -9.423 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.369 -10.226 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.979 -9.504 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.214 -6.960 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.948 -6.903 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.318 -5.958 -0.192 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.417 -9.091 2.886 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.571 -10.094 3.926 1.00 0.00 C ATOM 1400 C GLN A 91 -4.043 -10.487 4.071 1.00 0.00 C ATOM 1401 O GLN A 91 -4.386 -11.666 3.987 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.003 -9.596 5.257 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.499 -9.864 5.345 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.065 -10.079 6.797 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.410 -9.326 7.692 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.708 -11.146 6.978 1.00 0.00 N ATOM 0 H GLN A 91 -1.712 -8.380 3.080 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.005 -10.979 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.192 -8.528 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.513 -10.092 6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.247 -10.743 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.049 -9.024 4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.959 -11.735 6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.050 -11.376 7.911 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.874 -9.478 4.286 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.300 -9.703 4.443 1.00 0.00 C ATOM 1417 C ASN A 92 -7.042 -9.100 3.249 1.00 0.00 C ATOM 1418 O ASN A 92 -7.891 -8.226 3.418 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.827 -9.034 5.714 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.678 -9.959 6.923 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.523 -10.791 7.208 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.559 -9.768 7.616 1.00 0.00 N ATOM 0 H ASN A 92 -4.586 -8.502 4.355 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.466 -10.778 4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.284 -8.106 5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.876 -8.769 5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.367 -10.336 8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.893 -9.053 7.322 1.00 0.00 H new ATOM 1429 N SER A 93 -6.695 -9.591 2.068 1.00 0.00 N ATOM 1430 CA SER A 93 -7.318 -9.111 0.846 1.00 0.00 C ATOM 1431 C SER A 93 -8.791 -8.786 1.101 1.00 0.00 C ATOM 1432 O SER A 93 -9.576 -9.672 1.436 1.00 0.00 O ATOM 1433 CB SER A 93 -7.188 -10.140 -0.279 1.00 0.00 C ATOM 1434 OG SER A 93 -7.876 -11.351 0.024 1.00 0.00 O ATOM 0 H SER A 93 -5.991 -10.316 1.932 1.00 0.00 H new ATOM 0 HA SER A 93 -6.802 -8.203 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.584 -9.719 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.134 -10.356 -0.453 1.00 0.00 H new ATOM 0 HG SER A 93 -8.604 -11.165 0.653 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.130 -7.480 0.930 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.495 -7.028 1.139 1.00 0.00 C ATOM 1442 C PRO A 94 -11.396 -7.450 -0.023 1.00 0.00 C ATOM 1443 O PRO A 94 -10.908 -7.869 -1.072 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.390 -5.519 1.292 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.043 -5.133 0.703 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.226 -6.404 0.535 1.00 0.00 C ATOM 0 HA PRO A 94 -10.956 -7.473 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.203 -5.016 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.456 -5.227 2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.175 -4.634 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.527 -4.431 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.891 -6.526 -0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.334 -6.387 1.161 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.730 -7.322 0.207 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.704 -7.685 -0.808 1.00 0.00 C ATOM 1456 C PRO A 95 -13.759 -6.632 -1.916 1.00 0.00 C ATOM 1457 O PRO A 95 -14.159 -6.929 -3.041 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.018 -7.828 -0.059 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.831 -7.091 1.257 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.344 -6.829 1.437 1.00 0.00 C ATOM 0 HA PRO A 95 -13.451 -8.613 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.842 -7.402 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.258 -8.877 0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.386 -6.153 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.217 -7.685 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.143 -5.767 1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.953 -7.350 2.311 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.351 -5.422 -1.560 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.349 -4.324 -2.511 1.00 0.00 C ATOM 1470 C TRP A 96 -12.093 -4.448 -3.375 1.00 0.00 C ATOM 1471 O TRP A 96 -11.920 -3.700 -4.336 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.449 -2.977 -1.792 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.379 -2.762 -0.720 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.456 -3.035 0.590 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.058 -2.216 -0.921 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.288 -2.706 1.245 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.410 -2.192 0.297 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.432 -1.757 -2.093 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.103 -1.718 0.461 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.126 -1.286 -1.912 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.460 -1.255 -0.693 1.00 0.00 C ATOM 0 H TRP A 96 -13.020 -5.179 -0.626 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.223 -4.374 -3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.376 -2.177 -2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.433 -2.896 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.324 -3.460 1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.102 -2.819 2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.920 -1.767 -3.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.617 -1.710 1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.599 -0.921 -2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.451 -0.875 -0.636 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.249 -5.399 -3.002 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.013 -5.631 -3.731 1.00 0.00 C ATOM 1494 C ILE A 97 -10.146 -6.914 -4.555 1.00 0.00 C ATOM 1495 O ILE A 97 -10.063 -6.879 -5.782 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.819 -5.635 -2.775 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.312 -4.213 -2.525 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.711 -6.557 -3.286 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.006 -4.228 -1.729 1.00 0.00 C ATOM 0 H ILE A 97 -11.397 -6.018 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.826 -4.818 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.151 -6.032 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.156 -3.706 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.067 -3.644 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.874 -6.541 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.094 -7.574 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.374 -6.214 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.668 -3.205 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.172 -4.714 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.247 -4.776 -2.286 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.349 -8.015 -3.847 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.494 -9.306 -4.497 1.00 0.00 C ATOM 1513 C LYS A 98 -11.510 -10.150 -3.726 1.00 0.00 C ATOM 1514 O LYS A 98 -11.273 -10.516 -2.575 1.00 0.00 O ATOM 1515 CB LYS A 98 -9.130 -9.981 -4.657 1.00 0.00 C ATOM 1516 CG LYS A 98 -8.485 -9.605 -5.993 1.00 0.00 C ATOM 1517 CD LYS A 98 -6.997 -9.296 -5.816 1.00 0.00 C ATOM 1518 CE LYS A 98 -6.425 -8.623 -7.066 1.00 0.00 C ATOM 1519 NZ LYS A 98 -5.666 -7.407 -6.698 1.00 0.00 N ATOM 0 H LYS A 98 -10.416 -8.040 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.884 -9.182 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.475 -9.685 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.247 -11.063 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.608 -10.423 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.993 -8.737 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.857 -8.646 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.452 -10.218 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.774 -9.319 -7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.234 -8.361 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.285 -6.962 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.297 -6.738 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.882 -7.665 -6.065 1.00 0.00 H new ATOM 1533 N SER A 99 -12.621 -10.434 -4.390 1.00 0.00 N ATOM 1534 CA SER A 99 -13.675 -11.228 -3.780 1.00 0.00 C ATOM 1535 C SER A 99 -13.455 -12.711 -4.085 1.00 0.00 C ATOM 1536 O SER A 99 -13.913 -13.213 -5.110 1.00 0.00 O ATOM 1537 CB SER A 99 -15.053 -10.784 -4.273 1.00 0.00 C ATOM 1538 OG SER A 99 -15.200 -10.960 -5.679 1.00 0.00 O ATOM 0 H SER A 99 -12.814 -10.129 -5.344 1.00 0.00 H new ATOM 0 HA SER A 99 -13.638 -11.076 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.824 -11.353 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.207 -9.735 -4.021 1.00 0.00 H new ATOM 0 HG SER A 99 -14.780 -11.803 -5.949 1.00 0.00 H new ATOM 1544 N GLY A 100 -12.753 -13.372 -3.175 1.00 0.00 N ATOM 1545 CA GLY A 100 -12.467 -14.787 -3.333 1.00 0.00 C ATOM 1546 C GLY A 100 -12.262 -15.461 -1.975 1.00 0.00 C ATOM 1547 O GLY A 100 -12.009 -14.788 -0.976 1.00 0.00 O ATOM 0 H GLY A 100 -12.374 -12.953 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.288 -15.270 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.574 -14.915 -3.945 1.00 0.00 H new ATOM 1551 N PRO A 101 -12.384 -16.815 -1.980 1.00 0.00 N ATOM 1552 CA PRO A 101 -12.215 -17.587 -0.761 1.00 0.00 C ATOM 1553 C PRO A 101 -10.738 -17.686 -0.375 1.00 0.00 C ATOM 1554 O PRO A 101 -10.166 -18.775 -0.371 1.00 0.00 O ATOM 1555 CB PRO A 101 -12.843 -18.938 -1.060 1.00 0.00 C ATOM 1556 CG PRO A 101 -12.923 -19.034 -2.575 1.00 0.00 C ATOM 1557 CD PRO A 101 -12.684 -17.645 -3.143 1.00 0.00 C ATOM 0 HA PRO A 101 -12.694 -17.122 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.241 -19.748 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.833 -19.017 -0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.178 -19.734 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.899 -19.410 -2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.857 -17.645 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.562 -17.278 -3.675 1.00 0.00 H new ATOM 1565 N SER A 102 -10.163 -16.535 -0.060 1.00 0.00 N ATOM 1566 CA SER A 102 -8.763 -16.479 0.327 1.00 0.00 C ATOM 1567 C SER A 102 -7.942 -17.434 -0.542 1.00 0.00 C ATOM 1568 O SER A 102 -7.720 -18.584 -0.167 1.00 0.00 O ATOM 1569 CB SER A 102 -8.587 -16.822 1.807 1.00 0.00 C ATOM 1570 OG SER A 102 -8.730 -15.677 2.642 1.00 0.00 O ATOM 0 H SER A 102 -10.641 -15.634 -0.065 1.00 0.00 H new ATOM 0 HA SER A 102 -8.405 -15.461 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.322 -17.574 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.602 -17.263 1.962 1.00 0.00 H new ATOM 0 HG SER A 102 -8.612 -15.939 3.579 1.00 0.00 H new ATOM 1576 N SER A 103 -7.513 -16.921 -1.686 1.00 0.00 N ATOM 1577 CA SER A 103 -6.720 -17.714 -2.610 1.00 0.00 C ATOM 1578 C SER A 103 -5.490 -18.276 -1.896 1.00 0.00 C ATOM 1579 O SER A 103 -5.299 -19.490 -1.843 1.00 0.00 O ATOM 1580 CB SER A 103 -6.297 -16.885 -3.824 1.00 0.00 C ATOM 1581 OG SER A 103 -7.413 -16.290 -4.480 1.00 0.00 O ATOM 0 H SER A 103 -7.699 -15.967 -1.994 1.00 0.00 H new ATOM 0 HA SER A 103 -7.335 -18.541 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.605 -16.105 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.760 -17.521 -4.528 1.00 0.00 H new ATOM 0 HG SER A 103 -7.101 -15.768 -5.248 1.00 0.00 H new ATOM 1587 N GLY A 104 -4.686 -17.366 -1.365 1.00 0.00 N ATOM 1588 CA GLY A 104 -3.479 -17.756 -0.656 1.00 0.00 C ATOM 1589 C GLY A 104 -2.229 -17.285 -1.402 1.00 0.00 C ATOM 1590 O GLY A 104 -1.385 -16.596 -0.831 1.00 0.00 O ATOM 0 H GLY A 104 -4.847 -16.360 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.489 -17.332 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.453 -18.840 -0.544 1.00 0.00 H new TER 1594 GLY A 104