USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1101 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 65 THR OG1 : rot 180:sc= -0.0699 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= -0.0764 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.277 K(o=-0.35,f=-3.1!) USER MOD Single : A 3 THR OG1 : rot 42:sc= -0.406 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000893) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 86:sc= 0.337 USER MOD Single : A 14 TYR OH : rot 95:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -150:sc= -0.498 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 46:sc= 0.0892 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 45 TYR OH : rot -81:sc= 1.9 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.38) USER MOD Single : A 50 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.035) USER MOD Single : A 51 GLN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 52 CYS SG : rot 122:sc= -2.91! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 49:sc= 0.335 USER MOD Single : A 70 MET CE :methyl -175:sc= 0 (180deg=-0.0371) USER MOD Single : A 71 SER OG : rot 36:sc= 0.328 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.012) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 130:sc= -0.249 USER MOD Single : A 85 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 71:sc= 0.627 USER MOD Single : A 96 THR OG1 : rot 37:sc= 0.331 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 141:sc= 1.05 (180deg=-0.0162) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 152:sc= 0.144 (180deg=0.017) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0277) USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.0059) USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.0238 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.995 -19.693 -12.162 1.00 0.00 N ATOM 2 CA ALA A 2 -4.227 -18.878 -12.334 1.00 0.00 C ATOM 3 C ALA A 2 -4.570 -18.121 -11.054 1.00 0.00 C ATOM 4 O ALA A 2 -4.487 -18.671 -9.954 1.00 0.00 O ATOM 5 CB ALA A 2 -5.394 -19.764 -12.750 1.00 0.00 C ATOM 0 HA ALA A 2 -4.039 -18.147 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.289 -19.154 -12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.159 -20.256 -13.694 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.571 -20.517 -11.982 1.00 0.00 H new ATOM 13 N THR A 3 -4.957 -16.855 -11.205 1.00 0.00 N ATOM 14 CA THR A 3 -5.315 -16.016 -10.066 1.00 0.00 C ATOM 15 C THR A 3 -6.611 -15.259 -10.339 1.00 0.00 C ATOM 16 O THR A 3 -6.769 -14.639 -11.393 1.00 0.00 O ATOM 17 CB THR A 3 -4.187 -15.029 -9.752 1.00 0.00 C ATOM 18 OG1 THR A 3 -3.559 -14.589 -10.944 1.00 0.00 O ATOM 19 CG2 THR A 3 -3.116 -15.612 -8.855 1.00 0.00 C ATOM 0 H THR A 3 -5.030 -16.388 -12.109 1.00 0.00 H new ATOM 0 HA THR A 3 -5.467 -16.664 -9.202 1.00 0.00 H new ATOM 0 HB THR A 3 -4.664 -14.200 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.240 -14.405 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.347 -14.862 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.561 -15.915 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.668 -16.480 -9.340 1.00 0.00 H new ATOM 27 N LYS A 4 -7.536 -15.316 -9.386 1.00 0.00 N ATOM 28 CA LYS A 4 -8.820 -14.637 -9.523 1.00 0.00 C ATOM 29 C LYS A 4 -8.893 -13.424 -8.602 1.00 0.00 C ATOM 30 O LYS A 4 -9.092 -13.562 -7.395 1.00 0.00 O ATOM 31 CB LYS A 4 -9.967 -15.604 -9.215 1.00 0.00 C ATOM 32 CG LYS A 4 -10.187 -16.655 -10.291 1.00 0.00 C ATOM 33 CD LYS A 4 -11.219 -16.204 -11.314 1.00 0.00 C ATOM 34 CE LYS A 4 -10.820 -16.613 -12.724 1.00 0.00 C ATOM 35 NZ LYS A 4 -9.731 -15.754 -13.268 1.00 0.00 N ATOM 0 H LYS A 4 -7.420 -15.826 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.915 -14.292 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.764 -16.104 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.886 -15.033 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.243 -16.864 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.515 -17.586 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.189 -16.636 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.332 -15.121 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.494 -17.653 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.690 -16.553 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.513 -16.045 -14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.038 -14.760 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.881 -15.856 -12.678 1.00 0.00 H new ATOM 49 N ILE A 5 -8.731 -12.236 -9.179 1.00 0.00 N ATOM 50 CA ILE A 5 -8.784 -11.000 -8.406 1.00 0.00 C ATOM 51 C ILE A 5 -10.233 -10.596 -8.139 1.00 0.00 C ATOM 52 O ILE A 5 -10.975 -10.259 -9.063 1.00 0.00 O ATOM 53 CB ILE A 5 -8.043 -9.844 -9.122 1.00 0.00 C ATOM 54 CG1 ILE A 5 -8.057 -8.579 -8.257 1.00 0.00 C ATOM 55 CG2 ILE A 5 -8.661 -9.564 -10.489 1.00 0.00 C ATOM 56 CD1 ILE A 5 -6.748 -8.314 -7.546 1.00 0.00 C ATOM 0 H ILE A 5 -8.562 -12.104 -10.176 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.281 -11.190 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.007 -10.148 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.299 -7.722 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.852 -8.665 -7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.123 -8.748 -10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.595 -10.459 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.707 -9.285 -10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.834 -7.403 -6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.514 -9.153 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.952 -8.195 -8.281 1.00 0.00 H new ATOM 68 N ASP A 6 -10.631 -10.640 -6.869 1.00 0.00 N ATOM 69 CA ASP A 6 -11.993 -10.283 -6.486 1.00 0.00 C ATOM 70 C ASP A 6 -12.214 -8.777 -6.599 1.00 0.00 C ATOM 71 O ASP A 6 -11.721 -8.001 -5.777 1.00 0.00 O ATOM 72 CB ASP A 6 -12.292 -10.751 -5.059 1.00 0.00 C ATOM 73 CG ASP A 6 -13.782 -10.839 -4.772 1.00 0.00 C ATOM 74 OD1 ASP A 6 -14.535 -9.960 -5.244 1.00 0.00 O ATOM 75 OD2 ASP A 6 -14.193 -11.787 -4.070 1.00 0.00 O ATOM 0 H ASP A 6 -10.032 -10.918 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.676 -10.785 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.837 -11.728 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.829 -10.063 -4.351 1.00 0.00 H new ATOM 80 N LYS A 7 -12.964 -8.376 -7.621 1.00 0.00 N ATOM 81 CA LYS A 7 -13.264 -6.965 -7.847 1.00 0.00 C ATOM 82 C LYS A 7 -14.178 -6.425 -6.748 1.00 0.00 C ATOM 83 O LYS A 7 -13.997 -5.302 -6.278 1.00 0.00 O ATOM 84 CB LYS A 7 -13.923 -6.770 -9.215 1.00 0.00 C ATOM 85 CG LYS A 7 -12.930 -6.571 -10.350 1.00 0.00 C ATOM 86 CD LYS A 7 -12.828 -5.107 -10.756 1.00 0.00 C ATOM 87 CE LYS A 7 -13.515 -4.846 -12.087 1.00 0.00 C ATOM 88 NZ LYS A 7 -14.999 -4.827 -11.956 1.00 0.00 N ATOM 0 H LYS A 7 -13.376 -9.009 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.325 -6.411 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.544 -7.638 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.586 -5.906 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.949 -6.933 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.235 -7.167 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.279 -4.483 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.779 -4.820 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.175 -3.892 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.224 -5.616 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.427 -4.646 -12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.328 -5.746 -11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.279 -4.076 -11.294 1.00 0.00 H new ATOM 102 N GLU A 8 -15.155 -7.237 -6.345 1.00 0.00 N ATOM 103 CA GLU A 8 -16.099 -6.851 -5.300 1.00 0.00 C ATOM 104 C GLU A 8 -15.375 -6.579 -3.981 1.00 0.00 C ATOM 105 O GLU A 8 -15.638 -5.573 -3.320 1.00 0.00 O ATOM 106 CB GLU A 8 -17.157 -7.939 -5.107 1.00 0.00 C ATOM 107 CG GLU A 8 -18.406 -7.728 -5.949 1.00 0.00 C ATOM 108 CD GLU A 8 -19.567 -8.593 -5.499 1.00 0.00 C ATOM 109 OE1 GLU A 8 -20.023 -8.423 -4.348 1.00 0.00 O ATOM 110 OE2 GLU A 8 -20.022 -9.439 -6.298 1.00 0.00 O ATOM 0 H GLU A 8 -15.312 -8.169 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.593 -5.932 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.721 -8.907 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.440 -7.977 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.699 -6.679 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.178 -7.947 -6.992 1.00 0.00 H new ATOM 117 N ALA A 9 -14.458 -7.477 -3.607 1.00 0.00 N ATOM 118 CA ALA A 9 -13.691 -7.326 -2.372 1.00 0.00 C ATOM 119 C ALA A 9 -12.892 -6.027 -2.391 1.00 0.00 C ATOM 120 O ALA A 9 -13.044 -5.181 -1.507 1.00 0.00 O ATOM 121 CB ALA A 9 -12.767 -8.519 -2.169 1.00 0.00 C ATOM 0 H ALA A 9 -14.231 -8.314 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.390 -7.285 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.204 -8.390 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.359 -9.432 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.075 -8.591 -3.008 1.00 0.00 H new ATOM 127 N CYS A 10 -12.047 -5.872 -3.411 1.00 0.00 N ATOM 128 CA CYS A 10 -11.228 -4.673 -3.559 1.00 0.00 C ATOM 129 C CYS A 10 -12.102 -3.420 -3.609 1.00 0.00 C ATOM 130 O CYS A 10 -11.786 -2.407 -2.983 1.00 0.00 O ATOM 131 CB CYS A 10 -10.375 -4.769 -4.826 1.00 0.00 C ATOM 132 SG CYS A 10 -9.209 -3.403 -5.039 1.00 0.00 S ATOM 0 H CYS A 10 -11.913 -6.565 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.571 -4.599 -2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.819 -5.707 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.035 -4.807 -5.693 1.00 0.00 H new ATOM 0 HG CYS A 10 -8.113 -3.662 -4.389 1.00 0.00 H new ATOM 138 N ARG A 11 -13.207 -3.501 -4.354 1.00 0.00 N ATOM 139 CA ARG A 11 -14.135 -2.379 -4.483 1.00 0.00 C ATOM 140 C ARG A 11 -14.712 -1.989 -3.122 1.00 0.00 C ATOM 141 O ARG A 11 -14.828 -0.802 -2.812 1.00 0.00 O ATOM 142 CB ARG A 11 -15.265 -2.735 -5.453 1.00 0.00 C ATOM 143 CG ARG A 11 -16.275 -1.615 -5.661 1.00 0.00 C ATOM 144 CD ARG A 11 -17.594 -1.909 -4.962 1.00 0.00 C ATOM 145 NE ARG A 11 -18.746 -1.632 -5.821 1.00 0.00 N ATOM 146 CZ ARG A 11 -20.005 -1.946 -5.506 1.00 0.00 C ATOM 147 NH1 ARG A 11 -20.284 -2.531 -4.344 1.00 0.00 N ATOM 148 NH2 ARG A 11 -20.991 -1.667 -6.353 1.00 0.00 N ATOM 0 H ARG A 11 -13.480 -4.333 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.584 -1.525 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.832 -3.004 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.786 -3.617 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.864 -0.679 -5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -16.451 -1.478 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.615 -2.954 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.665 -1.308 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.577 -1.171 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.534 -2.743 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.248 -2.768 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.786 -1.213 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.953 -1.907 -6.113 1.00 0.00 H new ATOM 162 N ALA A 12 -15.065 -2.992 -2.316 1.00 0.00 N ATOM 163 CA ALA A 12 -15.623 -2.751 -0.988 1.00 0.00 C ATOM 164 C ALA A 12 -14.710 -1.844 -0.170 1.00 0.00 C ATOM 165 O ALA A 12 -15.149 -0.821 0.357 1.00 0.00 O ATOM 166 CB ALA A 12 -15.858 -4.067 -0.259 1.00 0.00 C ATOM 0 H ALA A 12 -14.974 -3.978 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.582 -2.247 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.274 -3.867 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.556 -4.679 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.912 -4.598 -0.153 1.00 0.00 H new ATOM 172 N ALA A 13 -13.436 -2.221 -0.076 1.00 0.00 N ATOM 173 CA ALA A 13 -12.453 -1.439 0.671 1.00 0.00 C ATOM 174 C ALA A 13 -12.223 -0.075 0.020 1.00 0.00 C ATOM 175 O ALA A 13 -11.968 0.913 0.711 1.00 0.00 O ATOM 176 CB ALA A 13 -11.143 -2.205 0.780 1.00 0.00 C ATOM 0 H ALA A 13 -13.060 -3.065 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.846 -1.269 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.420 -1.611 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.315 -3.148 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.754 -2.405 -0.219 1.00 0.00 H new ATOM 182 N TYR A 14 -12.312 -0.032 -1.312 1.00 0.00 N ATOM 183 CA TYR A 14 -12.112 1.206 -2.063 1.00 0.00 C ATOM 184 C TYR A 14 -13.057 2.306 -1.583 1.00 0.00 C ATOM 185 O TYR A 14 -12.613 3.384 -1.186 1.00 0.00 O ATOM 186 CB TYR A 14 -12.326 0.956 -3.559 1.00 0.00 C ATOM 187 CG TYR A 14 -11.395 1.750 -4.445 1.00 0.00 C ATOM 188 CD1 TYR A 14 -11.581 3.113 -4.630 1.00 0.00 C ATOM 189 CD2 TYR A 14 -10.330 1.138 -5.097 1.00 0.00 C ATOM 190 CE1 TYR A 14 -10.732 3.845 -5.438 1.00 0.00 C ATOM 191 CE2 TYR A 14 -9.478 1.864 -5.906 1.00 0.00 C ATOM 192 CZ TYR A 14 -9.682 3.217 -6.073 1.00 0.00 C ATOM 193 OH TYR A 14 -8.834 3.945 -6.877 1.00 0.00 O ATOM 0 H TYR A 14 -12.522 -0.844 -1.892 1.00 0.00 H new ATOM 0 HA TYR A 14 -11.088 1.538 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.191 -0.106 -3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.356 1.202 -3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.402 3.609 -4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.167 0.078 -4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.890 4.905 -5.571 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.656 1.374 -6.406 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.049 4.220 -6.360 1.00 0.00 H new ATOM 203 N ASN A 15 -14.359 2.030 -1.630 1.00 0.00 N ATOM 204 CA ASN A 15 -15.361 2.999 -1.210 1.00 0.00 C ATOM 205 C ASN A 15 -15.338 3.213 0.304 1.00 0.00 C ATOM 206 O ASN A 15 -15.663 4.301 0.782 1.00 0.00 O ATOM 207 CB ASN A 15 -16.753 2.552 -1.664 1.00 0.00 C ATOM 208 CG ASN A 15 -17.127 1.169 -1.162 1.00 0.00 C ATOM 209 OD1 ASN A 15 -17.279 0.949 0.040 1.00 0.00 O ATOM 210 ND2 ASN A 15 -17.280 0.227 -2.086 1.00 0.00 N ATOM 0 H ASN A 15 -14.742 1.142 -1.955 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.121 3.952 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.492 3.272 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.793 2.560 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.533 -0.722 -1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.144 0.452 -3.071 1.00 0.00 H new ATOM 217 N LEU A 16 -14.952 2.179 1.054 1.00 0.00 N ATOM 218 CA LEU A 16 -14.888 2.270 2.511 1.00 0.00 C ATOM 219 C LEU A 16 -13.871 3.321 2.953 1.00 0.00 C ATOM 220 O LEU A 16 -14.171 4.171 3.793 1.00 0.00 O ATOM 221 CB LEU A 16 -14.531 0.911 3.116 1.00 0.00 C ATOM 222 CG LEU A 16 -15.038 0.687 4.543 1.00 0.00 C ATOM 223 CD1 LEU A 16 -16.257 -0.220 4.543 1.00 0.00 C ATOM 224 CD2 LEU A 16 -13.938 0.101 5.414 1.00 0.00 C ATOM 0 H LEU A 16 -14.680 1.272 0.676 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.872 2.572 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.935 0.127 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.447 0.801 3.110 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.329 1.652 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.602 -0.366 5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.052 0.239 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.993 -1.184 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.317 -0.051 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.616 -0.854 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.092 0.788 5.443 1.00 0.00 H new ATOM 236 N VAL A 17 -12.671 3.261 2.378 1.00 0.00 N ATOM 237 CA VAL A 17 -11.612 4.213 2.706 1.00 0.00 C ATOM 238 C VAL A 17 -11.957 5.605 2.176 1.00 0.00 C ATOM 239 O VAL A 17 -11.617 6.618 2.793 1.00 0.00 O ATOM 240 CB VAL A 17 -10.253 3.767 2.123 1.00 0.00 C ATOM 241 CG1 VAL A 17 -9.144 4.725 2.531 1.00 0.00 C ATOM 242 CG2 VAL A 17 -9.924 2.348 2.564 1.00 0.00 C ATOM 0 H VAL A 17 -12.408 2.563 1.682 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.531 4.247 3.792 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.329 3.783 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.198 4.388 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.372 5.724 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.066 4.750 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.963 2.050 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.873 2.308 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.700 1.668 2.212 1.00 0.00 H new ATOM 252 N ARG A 18 -12.639 5.644 1.031 1.00 0.00 N ATOM 253 CA ARG A 18 -13.039 6.906 0.412 1.00 0.00 C ATOM 254 C ARG A 18 -14.207 7.560 1.156 1.00 0.00 C ATOM 255 O ARG A 18 -14.452 8.754 0.991 1.00 0.00 O ATOM 256 CB ARG A 18 -13.420 6.676 -1.054 1.00 0.00 C ATOM 257 CG ARG A 18 -12.328 7.069 -2.037 1.00 0.00 C ATOM 258 CD ARG A 18 -12.108 5.995 -3.090 1.00 0.00 C ATOM 259 NE ARG A 18 -12.557 6.425 -4.415 1.00 0.00 N ATOM 260 CZ ARG A 18 -13.811 6.313 -4.855 1.00 0.00 C ATOM 261 NH1 ARG A 18 -14.752 5.776 -4.083 1.00 0.00 N ATOM 262 NH2 ARG A 18 -14.127 6.742 -6.072 1.00 0.00 N ATOM 0 H ARG A 18 -12.926 4.813 0.513 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.187 7.584 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.663 5.623 -1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.322 7.245 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.596 8.007 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.398 7.245 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.049 5.740 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.643 5.090 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.866 6.837 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.517 5.446 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.709 5.694 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.411 7.156 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.086 6.657 -6.410 1.00 0.00 H new ATOM 276 N ASP A 19 -14.929 6.780 1.972 1.00 0.00 N ATOM 277 CA ASP A 19 -16.066 7.306 2.726 1.00 0.00 C ATOM 278 C ASP A 19 -15.602 8.187 3.885 1.00 0.00 C ATOM 279 O ASP A 19 -15.721 7.811 5.054 1.00 0.00 O ATOM 280 CB ASP A 19 -16.943 6.163 3.252 1.00 0.00 C ATOM 281 CG ASP A 19 -18.417 6.524 3.269 1.00 0.00 C ATOM 282 OD1 ASP A 19 -18.754 7.633 3.736 1.00 0.00 O ATOM 283 OD2 ASP A 19 -19.235 5.697 2.814 1.00 0.00 O ATOM 0 H ASP A 19 -14.744 5.788 2.124 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.657 7.919 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.795 5.280 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.625 5.899 4.261 1.00 0.00 H new ATOM 288 N ASP A 20 -15.065 9.362 3.548 1.00 0.00 N ATOM 289 CA ASP A 20 -14.572 10.309 4.547 1.00 0.00 C ATOM 290 C ASP A 20 -13.517 9.670 5.459 1.00 0.00 C ATOM 291 O ASP A 20 -13.241 10.179 6.547 1.00 0.00 O ATOM 292 CB ASP A 20 -15.739 10.845 5.387 1.00 0.00 C ATOM 293 CG ASP A 20 -15.751 12.360 5.459 1.00 0.00 C ATOM 294 OD1 ASP A 20 -14.974 12.921 6.259 1.00 0.00 O ATOM 295 OD2 ASP A 20 -16.537 12.984 4.717 1.00 0.00 O ATOM 0 H ASP A 20 -14.961 9.680 2.585 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.098 11.135 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -16.680 10.497 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.675 10.436 6.396 1.00 0.00 H new ATOM 300 N GLY A 21 -12.931 8.553 5.009 1.00 0.00 N ATOM 301 CA GLY A 21 -11.921 7.864 5.797 1.00 0.00 C ATOM 302 C GLY A 21 -12.385 7.580 7.214 1.00 0.00 C ATOM 303 O GLY A 21 -11.881 8.174 8.168 1.00 0.00 O ATOM 0 H GLY A 21 -13.141 8.117 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.661 6.925 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.015 8.469 5.829 1.00 0.00 H new ATOM 307 N SER A 22 -13.351 6.673 7.348 1.00 0.00 N ATOM 308 CA SER A 22 -13.892 6.314 8.657 1.00 0.00 C ATOM 309 C SER A 22 -12.885 5.496 9.470 1.00 0.00 C ATOM 310 O SER A 22 -12.995 4.273 9.567 1.00 0.00 O ATOM 311 CB SER A 22 -15.201 5.534 8.492 1.00 0.00 C ATOM 312 OG SER A 22 -16.045 5.710 9.617 1.00 0.00 O ATOM 0 H SER A 22 -13.775 6.174 6.566 1.00 0.00 H new ATOM 0 HA SER A 22 -14.093 7.236 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.716 5.868 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.982 4.474 8.360 1.00 0.00 H new ATOM 0 HG SER A 22 -16.874 5.204 9.487 1.00 0.00 H new ATOM 318 N ALA A 23 -11.902 6.187 10.053 1.00 0.00 N ATOM 319 CA ALA A 23 -10.867 5.540 10.861 1.00 0.00 C ATOM 320 C ALA A 23 -10.115 4.465 10.072 1.00 0.00 C ATOM 321 O ALA A 23 -9.607 3.503 10.650 1.00 0.00 O ATOM 322 CB ALA A 23 -11.479 4.941 12.122 1.00 0.00 C ATOM 0 H ALA A 23 -11.802 7.199 9.979 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.144 6.305 11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.698 4.463 12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.947 5.731 12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.230 4.200 11.846 1.00 0.00 H new ATOM 328 N VAL A 24 -10.043 4.636 8.750 1.00 0.00 N ATOM 329 CA VAL A 24 -9.350 3.684 7.887 1.00 0.00 C ATOM 330 C VAL A 24 -8.592 4.409 6.776 1.00 0.00 C ATOM 331 O VAL A 24 -9.198 4.964 5.859 1.00 0.00 O ATOM 332 CB VAL A 24 -10.337 2.675 7.257 1.00 0.00 C ATOM 333 CG1 VAL A 24 -9.596 1.646 6.415 1.00 0.00 C ATOM 334 CG2 VAL A 24 -11.169 1.988 8.332 1.00 0.00 C ATOM 0 H VAL A 24 -10.457 5.426 8.256 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.641 3.140 8.511 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.012 3.228 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.311 0.947 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.054 2.152 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.891 1.101 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.856 1.283 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.510 1.454 9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.737 2.736 8.886 1.00 0.00 H new ATOM 344 N ILE A 25 -7.264 4.402 6.868 1.00 0.00 N ATOM 345 CA ILE A 25 -6.424 5.062 5.871 1.00 0.00 C ATOM 346 C ILE A 25 -5.694 4.046 4.990 1.00 0.00 C ATOM 347 O ILE A 25 -5.391 4.331 3.831 1.00 0.00 O ATOM 348 CB ILE A 25 -5.388 6.001 6.525 1.00 0.00 C ATOM 349 CG1 ILE A 25 -4.461 5.222 7.463 1.00 0.00 C ATOM 350 CG2 ILE A 25 -6.088 7.124 7.279 1.00 0.00 C ATOM 351 CD1 ILE A 25 -3.008 5.629 7.354 1.00 0.00 C ATOM 0 H ILE A 25 -6.747 3.948 7.621 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.095 5.656 5.250 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.780 6.440 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.794 5.366 8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.549 4.158 7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.343 7.777 7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.701 7.701 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.722 6.700 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.411 5.036 8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.658 5.459 6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.907 6.686 7.601 1.00 0.00 H new ATOM 363 N TRP A 26 -5.416 2.863 5.544 1.00 0.00 N ATOM 364 CA TRP A 26 -4.724 1.817 4.800 1.00 0.00 C ATOM 365 C TRP A 26 -5.478 0.491 4.875 1.00 0.00 C ATOM 366 O TRP A 26 -6.274 0.266 5.790 1.00 0.00 O ATOM 367 CB TRP A 26 -3.293 1.640 5.326 1.00 0.00 C ATOM 368 CG TRP A 26 -3.227 1.120 6.732 1.00 0.00 C ATOM 369 CD1 TRP A 26 -2.989 1.851 7.859 1.00 0.00 C ATOM 370 CD2 TRP A 26 -3.398 -0.239 7.162 1.00 0.00 C ATOM 371 NE1 TRP A 26 -3.009 1.035 8.962 1.00 0.00 N ATOM 372 CE2 TRP A 26 -3.256 -0.250 8.561 1.00 0.00 C ATOM 373 CE3 TRP A 26 -3.659 -1.446 6.503 1.00 0.00 C ATOM 374 CZ2 TRP A 26 -3.366 -1.415 9.313 1.00 0.00 C ATOM 375 CZ3 TRP A 26 -3.769 -2.603 7.254 1.00 0.00 C ATOM 376 CH2 TRP A 26 -3.623 -2.579 8.644 1.00 0.00 C ATOM 0 H TRP A 26 -5.660 2.610 6.502 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.682 2.125 3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.756 0.955 4.669 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.777 2.599 5.278 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.811 2.916 7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -2.863 1.337 9.925 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -3.772 -1.474 5.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.252 -1.400 10.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.971 -3.541 6.758 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.715 -3.500 9.201 1.00 0.00 H new ATOM 387 N VAL A 27 -5.212 -0.381 3.907 1.00 0.00 N ATOM 388 CA VAL A 27 -5.845 -1.693 3.844 1.00 0.00 C ATOM 389 C VAL A 27 -4.843 -2.738 3.356 1.00 0.00 C ATOM 390 O VAL A 27 -4.004 -2.440 2.502 1.00 0.00 O ATOM 391 CB VAL A 27 -7.072 -1.683 2.905 1.00 0.00 C ATOM 392 CG1 VAL A 27 -8.172 -0.793 3.470 1.00 0.00 C ATOM 393 CG2 VAL A 27 -6.680 -1.225 1.505 1.00 0.00 C ATOM 0 H VAL A 27 -4.555 -0.199 3.148 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.182 -1.946 4.849 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.454 -2.702 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.028 -0.799 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.478 -1.168 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.799 0.226 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.560 -1.226 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.268 -0.217 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.931 -1.904 1.096 1.00 0.00 H new ATOM 403 N THR A 28 -4.924 -3.959 3.887 1.00 0.00 N ATOM 404 CA THR A 28 -4.001 -5.019 3.471 1.00 0.00 C ATOM 405 C THR A 28 -4.483 -5.669 2.178 1.00 0.00 C ATOM 406 O THR A 28 -5.616 -5.448 1.752 1.00 0.00 O ATOM 407 CB THR A 28 -3.850 -6.082 4.568 1.00 0.00 C ATOM 408 OG1 THR A 28 -3.769 -5.484 5.849 1.00 0.00 O ATOM 409 CG2 THR A 28 -2.622 -6.957 4.389 1.00 0.00 C ATOM 0 H THR A 28 -5.606 -4.237 4.593 1.00 0.00 H new ATOM 0 HA THR A 28 -3.026 -4.564 3.297 1.00 0.00 H new ATOM 0 HB THR A 28 -4.740 -6.706 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.225 -6.047 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.574 -7.687 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.682 -7.477 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.727 -6.336 4.408 1.00 0.00 H new ATOM 417 N PHE A 29 -3.623 -6.473 1.558 1.00 0.00 N ATOM 418 CA PHE A 29 -3.975 -7.157 0.320 1.00 0.00 C ATOM 419 C PHE A 29 -3.277 -8.512 0.241 1.00 0.00 C ATOM 420 O PHE A 29 -2.061 -8.585 0.062 1.00 0.00 O ATOM 421 CB PHE A 29 -3.610 -6.299 -0.892 1.00 0.00 C ATOM 422 CG PHE A 29 -4.735 -5.426 -1.373 1.00 0.00 C ATOM 423 CD1 PHE A 29 -5.048 -4.244 -0.716 1.00 0.00 C ATOM 424 CD2 PHE A 29 -5.482 -5.788 -2.483 1.00 0.00 C ATOM 425 CE1 PHE A 29 -6.083 -3.443 -1.158 1.00 0.00 C ATOM 426 CE2 PHE A 29 -6.519 -4.990 -2.928 1.00 0.00 C ATOM 427 CZ PHE A 29 -6.819 -3.816 -2.266 1.00 0.00 C ATOM 0 H PHE A 29 -2.679 -6.666 1.893 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.053 -7.321 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.757 -5.670 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.294 -6.951 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.476 -3.947 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.251 -6.704 -3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.317 -2.526 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.094 -5.285 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.628 -3.190 -2.614 1.00 0.00 H new ATOM 437 N LYS A 30 -4.056 -9.581 0.385 1.00 0.00 N ATOM 438 CA LYS A 30 -3.521 -10.939 0.337 1.00 0.00 C ATOM 439 C LYS A 30 -4.507 -11.888 -0.342 1.00 0.00 C ATOM 440 O LYS A 30 -5.721 -11.697 -0.260 1.00 0.00 O ATOM 441 CB LYS A 30 -3.202 -11.433 1.752 1.00 0.00 C ATOM 442 CG LYS A 30 -4.384 -11.357 2.708 1.00 0.00 C ATOM 443 CD LYS A 30 -3.936 -11.039 4.126 1.00 0.00 C ATOM 444 CE LYS A 30 -3.795 -12.300 4.960 1.00 0.00 C ATOM 445 NZ LYS A 30 -3.079 -12.045 6.241 1.00 0.00 N ATOM 0 H LYS A 30 -5.064 -9.532 0.536 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.602 -10.923 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.856 -12.465 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.380 -10.842 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.081 -10.592 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.922 -12.305 2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.983 -10.511 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.657 -10.370 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.784 -12.707 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.256 -13.055 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.004 -12.932 6.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.126 -11.681 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.606 -11.344 6.800 1.00 0.00 H new ATOM 459 N TYR A 31 -3.979 -12.908 -1.014 1.00 0.00 N ATOM 460 CA TYR A 31 -4.819 -13.878 -1.707 1.00 0.00 C ATOM 461 C TYR A 31 -5.024 -15.140 -0.873 1.00 0.00 C ATOM 462 O TYR A 31 -4.071 -15.695 -0.321 1.00 0.00 O ATOM 463 CB TYR A 31 -4.215 -14.240 -3.071 1.00 0.00 C ATOM 464 CG TYR A 31 -2.876 -14.943 -2.985 1.00 0.00 C ATOM 465 CD1 TYR A 31 -2.800 -16.318 -2.791 1.00 0.00 C ATOM 466 CD2 TYR A 31 -1.690 -14.232 -3.097 1.00 0.00 C ATOM 467 CE1 TYR A 31 -1.581 -16.960 -2.710 1.00 0.00 C ATOM 468 CE2 TYR A 31 -0.466 -14.866 -3.017 1.00 0.00 C ATOM 469 CZ TYR A 31 -0.416 -16.229 -2.823 1.00 0.00 C ATOM 470 OH TYR A 31 0.804 -16.863 -2.740 1.00 0.00 O ATOM 0 H TYR A 31 -2.977 -13.083 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.793 -13.414 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.915 -14.879 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.099 -13.329 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.710 -16.893 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.725 -13.163 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.539 -18.029 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.447 -14.296 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 31 1.523 -16.204 -2.841 1.00 0.00 H new ATOM 480 N ASP A 32 -6.274 -15.593 -0.794 1.00 0.00 N ATOM 481 CA ASP A 32 -6.609 -16.797 -0.042 1.00 0.00 C ATOM 482 C ASP A 32 -6.865 -17.959 -0.995 1.00 0.00 C ATOM 483 O ASP A 32 -7.877 -17.983 -1.700 1.00 0.00 O ATOM 484 CB ASP A 32 -7.834 -16.563 0.845 1.00 0.00 C ATOM 485 CG ASP A 32 -7.859 -17.493 2.042 1.00 0.00 C ATOM 486 OD1 ASP A 32 -7.952 -18.723 1.837 1.00 0.00 O ATOM 487 OD2 ASP A 32 -7.782 -16.993 3.184 1.00 0.00 O ATOM 0 H ASP A 32 -7.071 -15.142 -1.243 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.764 -17.044 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.839 -15.529 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.740 -16.707 0.256 1.00 0.00 H new ATOM 492 N GLY A 33 -5.936 -18.912 -1.025 1.00 0.00 N ATOM 493 CA GLY A 33 -6.072 -20.059 -1.906 1.00 0.00 C ATOM 494 C GLY A 33 -5.736 -19.717 -3.345 1.00 0.00 C ATOM 495 O GLY A 33 -4.698 -20.132 -3.862 1.00 0.00 O ATOM 0 H GLY A 33 -5.091 -18.910 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.417 -20.859 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.093 -20.437 -1.853 1.00 0.00 H new ATOM 499 N SER A 34 -6.615 -18.951 -3.990 1.00 0.00 N ATOM 500 CA SER A 34 -6.406 -18.545 -5.379 1.00 0.00 C ATOM 501 C SER A 34 -7.245 -17.313 -5.728 1.00 0.00 C ATOM 502 O SER A 34 -7.708 -17.167 -6.861 1.00 0.00 O ATOM 503 CB SER A 34 -6.745 -19.698 -6.327 1.00 0.00 C ATOM 504 OG SER A 34 -7.974 -20.311 -5.972 1.00 0.00 O ATOM 0 H SER A 34 -7.477 -18.600 -3.574 1.00 0.00 H new ATOM 0 HA SER A 34 -5.354 -18.284 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.804 -19.326 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.946 -20.439 -6.303 1.00 0.00 H new ATOM 0 HG SER A 34 -8.167 -21.043 -6.595 1.00 0.00 H new ATOM 510 N THR A 35 -7.436 -16.427 -4.750 1.00 0.00 N ATOM 511 CA THR A 35 -8.218 -15.213 -4.962 1.00 0.00 C ATOM 512 C THR A 35 -7.651 -14.051 -4.150 1.00 0.00 C ATOM 513 O THR A 35 -7.474 -14.159 -2.937 1.00 0.00 O ATOM 514 CB THR A 35 -9.687 -15.453 -4.594 1.00 0.00 C ATOM 515 OG1 THR A 35 -10.420 -14.240 -4.640 1.00 0.00 O ATOM 516 CG2 THR A 35 -9.877 -16.055 -3.215 1.00 0.00 C ATOM 0 H THR A 35 -7.061 -16.528 -3.807 1.00 0.00 H new ATOM 0 HA THR A 35 -8.159 -14.951 -6.018 1.00 0.00 H new ATOM 0 HB THR A 35 -10.053 -16.166 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.199 -13.755 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.941 -16.197 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.368 -17.017 -3.165 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.459 -15.384 -2.464 1.00 0.00 H new ATOM 524 N ILE A 36 -7.371 -12.941 -4.831 1.00 0.00 N ATOM 525 CA ILE A 36 -6.824 -11.753 -4.177 1.00 0.00 C ATOM 526 C ILE A 36 -7.936 -10.908 -3.567 1.00 0.00 C ATOM 527 O ILE A 36 -8.952 -10.645 -4.213 1.00 0.00 O ATOM 528 CB ILE A 36 -6.015 -10.886 -5.162 1.00 0.00 C ATOM 529 CG1 ILE A 36 -5.008 -11.749 -5.924 1.00 0.00 C ATOM 530 CG2 ILE A 36 -5.302 -9.762 -4.421 1.00 0.00 C ATOM 531 CD1 ILE A 36 -4.405 -11.058 -7.127 1.00 0.00 C ATOM 0 H ILE A 36 -7.514 -12.839 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.158 -12.103 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.704 -10.441 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.207 -12.043 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.501 -12.665 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.736 -9.160 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.037 -9.134 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.622 -10.187 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.701 -11.730 -7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.196 -10.788 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.883 -10.157 -6.805 1.00 0.00 H new ATOM 543 N VAL A 37 -7.738 -10.485 -2.318 1.00 0.00 N ATOM 544 CA VAL A 37 -8.728 -9.671 -1.620 1.00 0.00 C ATOM 545 C VAL A 37 -8.070 -8.789 -0.560 1.00 0.00 C ATOM 546 O VAL A 37 -6.980 -9.096 -0.071 1.00 0.00 O ATOM 547 CB VAL A 37 -9.810 -10.549 -0.952 1.00 0.00 C ATOM 548 CG1 VAL A 37 -10.709 -11.186 -2.001 1.00 0.00 C ATOM 549 CG2 VAL A 37 -9.175 -11.616 -0.072 1.00 0.00 C ATOM 0 H VAL A 37 -6.902 -10.693 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.201 -9.036 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.423 -9.907 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.464 -11.800 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.199 -10.405 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.109 -11.810 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.957 -12.221 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.532 -12.253 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.581 -11.139 0.707 1.00 0.00 H new ATOM 559 N PRO A 38 -8.726 -7.673 -0.190 1.00 0.00 N ATOM 560 CA PRO A 38 -8.200 -6.744 0.815 1.00 0.00 C ATOM 561 C PRO A 38 -8.129 -7.375 2.205 1.00 0.00 C ATOM 562 O PRO A 38 -8.801 -8.372 2.479 1.00 0.00 O ATOM 563 CB PRO A 38 -9.200 -5.584 0.795 1.00 0.00 C ATOM 564 CG PRO A 38 -10.456 -6.169 0.249 1.00 0.00 C ATOM 565 CD PRO A 38 -10.028 -7.233 -0.722 1.00 0.00 C ATOM 0 HA PRO A 38 -7.178 -6.438 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.355 -5.179 1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.842 -4.765 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.069 -6.591 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.058 -5.408 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.745 -8.053 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.937 -6.840 -1.735 1.00 0.00 H new ATOM 573 N GLY A 39 -7.309 -6.788 3.074 1.00 0.00 N ATOM 574 CA GLY A 39 -7.154 -7.298 4.418 1.00 0.00 C ATOM 575 C GLY A 39 -7.312 -6.219 5.469 1.00 0.00 C ATOM 576 O GLY A 39 -8.089 -5.284 5.292 1.00 0.00 O ATOM 0 H GLY A 39 -6.747 -5.963 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.891 -8.082 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.170 -7.757 4.518 1.00 0.00 H new ATOM 580 N GLU A 40 -6.567 -6.360 6.564 1.00 0.00 N ATOM 581 CA GLU A 40 -6.608 -5.422 7.682 1.00 0.00 C ATOM 582 C GLU A 40 -6.797 -3.979 7.224 1.00 0.00 C ATOM 583 O GLU A 40 -6.188 -3.536 6.253 1.00 0.00 O ATOM 584 CB GLU A 40 -5.330 -5.549 8.513 1.00 0.00 C ATOM 585 CG GLU A 40 -5.587 -5.808 9.990 1.00 0.00 C ATOM 586 CD GLU A 40 -5.376 -4.573 10.842 1.00 0.00 C ATOM 587 OE1 GLU A 40 -6.230 -3.663 10.789 1.00 0.00 O ATOM 588 OE2 GLU A 40 -4.355 -4.515 11.559 1.00 0.00 O ATOM 0 H GLU A 40 -5.915 -7.132 6.700 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.473 -5.680 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.724 -6.361 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.747 -4.634 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.609 -6.165 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.925 -6.602 10.337 1.00 0.00 H new ATOM 595 N GLN A 41 -7.657 -3.261 7.940 1.00 0.00 N ATOM 596 CA GLN A 41 -7.952 -1.863 7.632 1.00 0.00 C ATOM 597 C GLN A 41 -7.957 -1.028 8.910 1.00 0.00 C ATOM 598 O GLN A 41 -8.803 -1.226 9.785 1.00 0.00 O ATOM 599 CB GLN A 41 -9.308 -1.750 6.924 1.00 0.00 C ATOM 600 CG GLN A 41 -9.532 -2.811 5.854 1.00 0.00 C ATOM 601 CD GLN A 41 -10.884 -2.694 5.176 1.00 0.00 C ATOM 602 OE1 GLN A 41 -11.177 -1.523 4.620 1.00 0.00 O flip ATOM 603 NE2 GLN A 41 -11.659 -3.650 5.148 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.166 -3.627 8.744 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.176 -1.483 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.103 -1.823 7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.388 -0.764 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.747 -2.732 5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.443 -3.799 6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.396 -4.532 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.564 -3.560 4.686 1.00 0.00 H new ATOM 612 N GLY A 42 -7.005 -0.103 9.021 1.00 0.00 N ATOM 613 CA GLY A 42 -6.917 0.735 10.206 1.00 0.00 C ATOM 614 C GLY A 42 -6.341 2.110 9.928 1.00 0.00 C ATOM 615 O GLY A 42 -5.677 2.323 8.911 1.00 0.00 O ATOM 0 H GLY A 42 -6.294 0.081 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.911 0.846 10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.299 0.234 10.951 1.00 0.00 H new ATOM 619 N ALA A 43 -6.592 3.040 10.847 1.00 0.00 N ATOM 620 CA ALA A 43 -6.090 4.405 10.721 1.00 0.00 C ATOM 621 C ALA A 43 -4.635 4.492 11.175 1.00 0.00 C ATOM 622 O ALA A 43 -3.891 5.369 10.731 1.00 0.00 O ATOM 623 CB ALA A 43 -6.952 5.364 11.533 1.00 0.00 C ATOM 0 H ALA A 43 -7.142 2.872 11.689 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.140 4.690 9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.565 6.378 11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.979 5.328 11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.930 5.073 12.583 1.00 0.00 H new ATOM 629 N GLU A 44 -4.234 3.576 12.060 1.00 0.00 N ATOM 630 CA GLU A 44 -2.865 3.550 12.570 1.00 0.00 C ATOM 631 C GLU A 44 -2.020 2.552 11.783 1.00 0.00 C ATOM 632 O GLU A 44 -2.345 1.364 11.718 1.00 0.00 O ATOM 633 CB GLU A 44 -2.852 3.198 14.063 1.00 0.00 C ATOM 634 CG GLU A 44 -3.439 1.831 14.386 1.00 0.00 C ATOM 635 CD GLU A 44 -4.535 1.901 15.432 1.00 0.00 C ATOM 636 OE1 GLU A 44 -4.204 2.034 16.630 1.00 0.00 O ATOM 637 OE2 GLU A 44 -5.722 1.823 15.053 1.00 0.00 O ATOM 0 H GLU A 44 -4.838 2.845 12.436 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.435 4.544 12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.824 3.235 14.425 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.409 3.959 14.609 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.839 1.387 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.645 1.173 14.740 1.00 0.00 H new ATOM 644 N TYR A 45 -0.940 3.039 11.172 1.00 0.00 N ATOM 645 CA TYR A 45 -0.061 2.180 10.380 1.00 0.00 C ATOM 646 C TYR A 45 0.710 1.190 11.251 1.00 0.00 C ATOM 647 O TYR A 45 1.191 0.172 10.752 1.00 0.00 O ATOM 648 CB TYR A 45 0.920 3.017 9.560 1.00 0.00 C ATOM 649 CG TYR A 45 1.495 2.266 8.378 1.00 0.00 C ATOM 650 CD1 TYR A 45 0.733 2.034 7.241 1.00 0.00 C ATOM 651 CD2 TYR A 45 2.799 1.793 8.401 1.00 0.00 C ATOM 652 CE1 TYR A 45 1.254 1.351 6.158 1.00 0.00 C ATOM 653 CE2 TYR A 45 3.330 1.109 7.324 1.00 0.00 C ATOM 654 CZ TYR A 45 2.555 0.893 6.204 1.00 0.00 C ATOM 655 OH TYR A 45 3.080 0.214 5.127 1.00 0.00 O ATOM 0 H TYR A 45 -0.654 4.017 11.210 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.700 1.609 9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.413 3.913 9.202 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.735 3.347 10.205 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.285 2.393 7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.410 1.962 9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.647 1.177 5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.346 0.746 7.359 1.00 0.00 H new ATOM 0 HH TYR A 45 2.794 -0.723 5.160 1.00 0.00 H new ATOM 665 N GLN A 46 0.829 1.485 12.549 1.00 0.00 N ATOM 666 CA GLN A 46 1.544 0.606 13.474 1.00 0.00 C ATOM 667 C GLN A 46 1.114 -0.850 13.291 1.00 0.00 C ATOM 668 O GLN A 46 1.933 -1.765 13.385 1.00 0.00 O ATOM 669 CB GLN A 46 1.301 1.043 14.920 1.00 0.00 C ATOM 670 CG GLN A 46 2.371 1.977 15.462 1.00 0.00 C ATOM 671 CD GLN A 46 2.045 3.437 15.217 1.00 0.00 C ATOM 672 OE1 GLN A 46 1.570 4.135 16.111 1.00 0.00 O ATOM 673 NE2 GLN A 46 2.298 3.908 13.999 1.00 0.00 N ATOM 0 H GLN A 46 0.440 2.324 12.980 1.00 0.00 H new ATOM 0 HA GLN A 46 2.609 0.681 13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.332 1.539 14.983 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.248 0.158 15.554 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.487 1.809 16.533 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.327 1.738 14.996 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.693 3.294 13.287 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.097 4.883 13.778 1.00 0.00 H new ATOM 682 N HIS A 47 -0.176 -1.049 13.022 1.00 0.00 N ATOM 683 CA HIS A 47 -0.728 -2.385 12.817 1.00 0.00 C ATOM 684 C HIS A 47 -0.073 -3.079 11.622 1.00 0.00 C ATOM 685 O HIS A 47 0.263 -4.266 11.693 1.00 0.00 O ATOM 686 CB HIS A 47 -2.243 -2.302 12.609 1.00 0.00 C ATOM 687 CG HIS A 47 -3.038 -2.482 13.867 1.00 0.00 C ATOM 688 ND1 HIS A 47 -2.475 -2.469 15.127 1.00 0.00 N ATOM 689 CD2 HIS A 47 -4.364 -2.681 14.053 1.00 0.00 C ATOM 690 CE1 HIS A 47 -3.419 -2.658 16.031 1.00 0.00 C ATOM 691 NE2 HIS A 47 -4.574 -2.788 15.406 1.00 0.00 N ATOM 0 H HIS A 47 -0.860 -0.297 12.941 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.518 -2.976 13.708 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.488 -1.334 12.171 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.543 -3.063 11.889 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.117 -2.744 13.281 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.271 -2.699 17.100 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.477 -2.943 15.855 1.00 0.00 H new ATOM 700 N PHE A 48 0.115 -2.337 10.528 1.00 0.00 N ATOM 701 CA PHE A 48 0.734 -2.894 9.332 1.00 0.00 C ATOM 702 C PHE A 48 2.198 -3.238 9.592 1.00 0.00 C ATOM 703 O PHE A 48 2.662 -4.316 9.220 1.00 0.00 O ATOM 704 CB PHE A 48 0.624 -1.917 8.160 1.00 0.00 C ATOM 705 CG PHE A 48 1.055 -2.518 6.852 1.00 0.00 C ATOM 706 CD1 PHE A 48 0.164 -3.252 6.085 1.00 0.00 C ATOM 707 CD2 PHE A 48 2.353 -2.356 6.396 1.00 0.00 C ATOM 708 CE1 PHE A 48 0.561 -3.813 4.887 1.00 0.00 C ATOM 709 CE2 PHE A 48 2.755 -2.916 5.200 1.00 0.00 C ATOM 710 CZ PHE A 48 1.859 -3.645 4.444 1.00 0.00 C ATOM 0 H PHE A 48 -0.152 -1.356 10.449 1.00 0.00 H new ATOM 0 HA PHE A 48 0.202 -3.809 9.073 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.408 -1.576 8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.234 -1.038 8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.851 -3.387 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.058 -1.785 6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.142 -4.382 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.770 -2.784 4.856 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.172 -4.083 3.508 1.00 0.00 H new ATOM 720 N ILE A 49 2.916 -2.319 10.239 1.00 0.00 N ATOM 721 CA ILE A 49 4.328 -2.532 10.558 1.00 0.00 C ATOM 722 C ILE A 49 4.505 -3.743 11.475 1.00 0.00 C ATOM 723 O ILE A 49 5.480 -4.486 11.350 1.00 0.00 O ATOM 724 CB ILE A 49 4.955 -1.293 11.234 1.00 0.00 C ATOM 725 CG1 ILE A 49 4.716 -0.042 10.383 1.00 0.00 C ATOM 726 CG2 ILE A 49 6.449 -1.506 11.461 1.00 0.00 C ATOM 727 CD1 ILE A 49 5.224 1.233 11.021 1.00 0.00 C ATOM 0 H ILE A 49 2.544 -1.422 10.552 1.00 0.00 H new ATOM 0 HA ILE A 49 4.840 -2.712 9.612 1.00 0.00 H new ATOM 0 HB ILE A 49 4.477 -1.149 12.203 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.202 -0.173 9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.648 0.058 10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.874 -0.623 11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.599 -2.373 12.104 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.942 -1.674 10.504 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.020 2.076 10.361 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.720 1.388 11.975 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.298 1.154 11.187 1.00 0.00 H new ATOM 739 N GLN A 50 3.552 -3.935 12.391 1.00 0.00 N ATOM 740 CA GLN A 50 3.596 -5.056 13.329 1.00 0.00 C ATOM 741 C GLN A 50 3.607 -6.391 12.587 1.00 0.00 C ATOM 742 O GLN A 50 4.407 -7.275 12.896 1.00 0.00 O ATOM 743 CB GLN A 50 2.400 -4.997 14.286 1.00 0.00 C ATOM 744 CG GLN A 50 2.476 -6.001 15.427 1.00 0.00 C ATOM 745 CD GLN A 50 3.584 -5.687 16.413 1.00 0.00 C ATOM 746 OE1 GLN A 50 4.540 -6.449 16.553 1.00 0.00 O ATOM 747 NE2 GLN A 50 3.463 -4.559 17.106 1.00 0.00 N ATOM 0 H GLN A 50 2.740 -3.327 12.502 1.00 0.00 H new ATOM 0 HA GLN A 50 4.517 -4.977 13.906 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.329 -3.992 14.703 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.485 -5.173 13.720 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.522 -6.019 15.953 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.633 -6.999 15.017 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.654 -3.955 16.960 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.179 -4.298 17.784 1.00 0.00 H new ATOM 756 N GLN A 51 2.713 -6.529 11.609 1.00 0.00 N ATOM 757 CA GLN A 51 2.621 -7.759 10.825 1.00 0.00 C ATOM 758 C GLN A 51 3.665 -7.800 9.703 1.00 0.00 C ATOM 759 O GLN A 51 3.942 -8.866 9.150 1.00 0.00 O ATOM 760 CB GLN A 51 1.215 -7.903 10.236 1.00 0.00 C ATOM 761 CG GLN A 51 0.395 -9.008 10.882 1.00 0.00 C ATOM 762 CD GLN A 51 -0.338 -8.543 12.127 1.00 0.00 C ATOM 763 OE1 GLN A 51 -0.039 -8.983 13.236 1.00 0.00 O ATOM 764 NE2 GLN A 51 -1.306 -7.650 11.950 1.00 0.00 N ATOM 0 H GLN A 51 2.044 -5.807 11.341 1.00 0.00 H new ATOM 0 HA GLN A 51 2.823 -8.593 11.497 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.685 -6.957 10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.296 -8.100 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.328 -9.387 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.052 -9.838 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.522 -7.311 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.833 -7.304 12.752 1.00 0.00 H new ATOM 773 N CYS A 52 4.234 -6.639 9.365 1.00 0.00 N ATOM 774 CA CYS A 52 5.235 -6.542 8.304 1.00 0.00 C ATOM 775 C CYS A 52 6.560 -7.179 8.721 1.00 0.00 C ATOM 776 O CYS A 52 7.484 -6.494 9.169 1.00 0.00 O ATOM 777 CB CYS A 52 5.454 -5.078 7.908 1.00 0.00 C ATOM 778 SG CYS A 52 5.135 -4.732 6.163 1.00 0.00 S ATOM 0 H CYS A 52 4.015 -5.750 9.815 1.00 0.00 H new ATOM 0 HA CYS A 52 4.856 -7.092 7.442 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.807 -4.447 8.517 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.482 -4.799 8.141 1.00 0.00 H new ATOM 0 HG CYS A 52 4.210 -3.824 6.063 1.00 0.00 H new ATOM 784 N THR A 53 6.646 -8.496 8.561 1.00 0.00 N ATOM 785 CA THR A 53 7.856 -9.240 8.903 1.00 0.00 C ATOM 786 C THR A 53 8.533 -9.769 7.639 1.00 0.00 C ATOM 787 O THR A 53 7.863 -10.104 6.659 1.00 0.00 O ATOM 788 CB THR A 53 7.526 -10.396 9.853 1.00 0.00 C ATOM 789 OG1 THR A 53 6.414 -11.141 9.382 1.00 0.00 O ATOM 790 CG2 THR A 53 7.216 -9.938 11.263 1.00 0.00 C ATOM 0 H THR A 53 5.889 -9.073 8.195 1.00 0.00 H new ATOM 0 HA THR A 53 8.544 -8.562 9.408 1.00 0.00 H new ATOM 0 HB THR A 53 8.424 -11.014 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.224 -11.874 10.004 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.991 -10.804 11.886 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.078 -9.411 11.672 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.356 -9.269 11.247 1.00 0.00 H new ATOM 798 N ASP A 54 9.865 -9.827 7.658 1.00 0.00 N ATOM 799 CA ASP A 54 10.630 -10.295 6.510 1.00 0.00 C ATOM 800 C ASP A 54 10.632 -11.823 6.416 1.00 0.00 C ATOM 801 O ASP A 54 11.689 -12.457 6.450 1.00 0.00 O ATOM 802 CB ASP A 54 12.066 -9.768 6.592 1.00 0.00 C ATOM 803 CG ASP A 54 12.131 -8.300 6.972 1.00 0.00 C ATOM 804 OD1 ASP A 54 11.981 -7.989 8.174 1.00 0.00 O ATOM 805 OD2 ASP A 54 12.328 -7.462 6.068 1.00 0.00 O ATOM 0 H ASP A 54 10.434 -9.554 8.459 1.00 0.00 H new ATOM 0 HA ASP A 54 10.152 -9.911 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.622 -10.353 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.557 -9.912 5.629 1.00 0.00 H new ATOM 810 N ASP A 55 9.443 -12.408 6.290 1.00 0.00 N ATOM 811 CA ASP A 55 9.306 -13.859 6.183 1.00 0.00 C ATOM 812 C ASP A 55 7.983 -14.236 5.521 1.00 0.00 C ATOM 813 O ASP A 55 7.352 -15.226 5.893 1.00 0.00 O ATOM 814 CB ASP A 55 9.402 -14.500 7.568 1.00 0.00 C ATOM 815 CG ASP A 55 9.977 -15.902 7.514 1.00 0.00 C ATOM 816 OD1 ASP A 55 11.207 -16.032 7.342 1.00 0.00 O ATOM 817 OD2 ASP A 55 9.196 -16.870 7.642 1.00 0.00 O ATOM 0 H ASP A 55 8.560 -11.899 6.259 1.00 0.00 H new ATOM 0 HA ASP A 55 10.118 -14.233 5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.025 -13.879 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.411 -14.533 8.020 1.00 0.00 H new ATOM 822 N VAL A 56 7.573 -13.436 4.538 1.00 0.00 N ATOM 823 CA VAL A 56 6.323 -13.668 3.815 1.00 0.00 C ATOM 824 C VAL A 56 6.111 -12.611 2.735 1.00 0.00 C ATOM 825 O VAL A 56 6.877 -11.652 2.629 1.00 0.00 O ATOM 826 CB VAL A 56 5.093 -13.666 4.758 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.727 -15.085 5.169 1.00 0.00 C ATOM 828 CG2 VAL A 56 5.342 -12.794 5.984 1.00 0.00 C ATOM 0 H VAL A 56 8.092 -12.616 4.222 1.00 0.00 H new ATOM 0 HA VAL A 56 6.413 -14.654 3.358 1.00 0.00 H new ATOM 0 HB VAL A 56 4.251 -13.241 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.861 -15.060 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.489 -15.671 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.569 -15.542 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.462 -12.811 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.202 -13.177 6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.540 -11.770 5.668 1.00 0.00 H new ATOM 838 N ARG A 57 5.064 -12.795 1.936 1.00 0.00 N ATOM 839 CA ARG A 57 4.740 -11.861 0.862 1.00 0.00 C ATOM 840 C ARG A 57 3.306 -11.353 0.995 1.00 0.00 C ATOM 841 O ARG A 57 2.381 -12.135 1.217 1.00 0.00 O ATOM 842 CB ARG A 57 4.929 -12.532 -0.503 1.00 0.00 C ATOM 843 CG ARG A 57 4.274 -13.903 -0.611 1.00 0.00 C ATOM 844 CD ARG A 57 2.863 -13.811 -1.166 1.00 0.00 C ATOM 845 NE ARG A 57 1.944 -14.717 -0.473 1.00 0.00 N ATOM 846 CZ ARG A 57 0.686 -14.408 -0.148 1.00 0.00 C ATOM 847 NH1 ARG A 57 0.174 -13.220 -0.460 1.00 0.00 N ATOM 848 NH2 ARG A 57 -0.068 -15.298 0.490 1.00 0.00 N ATOM 0 H ARG A 57 4.423 -13.585 2.012 1.00 0.00 H new ATOM 0 HA ARG A 57 5.418 -11.011 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.519 -11.882 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.996 -12.633 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.877 -14.544 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.248 -14.372 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.502 -12.787 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.875 -14.049 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 57 2.287 -15.644 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.744 -12.533 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.788 -12.997 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.315 -16.213 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.029 -15.066 0.740 1.00 0.00 H new ATOM 862 N LEU A 58 3.130 -10.041 0.855 1.00 0.00 N ATOM 863 CA LEU A 58 1.806 -9.430 0.955 1.00 0.00 C ATOM 864 C LEU A 58 1.789 -8.051 0.299 1.00 0.00 C ATOM 865 O LEU A 58 2.841 -7.460 0.045 1.00 0.00 O ATOM 866 CB LEU A 58 1.373 -9.320 2.421 1.00 0.00 C ATOM 867 CG LEU A 58 2.316 -8.520 3.324 1.00 0.00 C ATOM 868 CD1 LEU A 58 1.941 -7.045 3.317 1.00 0.00 C ATOM 869 CD2 LEU A 58 2.289 -9.070 4.742 1.00 0.00 C ATOM 0 H LEU A 58 3.886 -9.381 0.672 1.00 0.00 H new ATOM 0 HA LEU A 58 1.101 -10.071 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.385 -8.861 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.272 -10.326 2.829 1.00 0.00 H new ATOM 0 HG LEU A 58 3.329 -8.618 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.623 -6.493 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.011 -6.657 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.920 -6.927 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.965 -8.490 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.276 -9.002 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.607 -10.113 4.734 1.00 0.00 H new ATOM 881 N PHE A 59 0.589 -7.542 0.034 1.00 0.00 N ATOM 882 CA PHE A 59 0.430 -6.229 -0.585 1.00 0.00 C ATOM 883 C PHE A 59 -0.044 -5.199 0.436 1.00 0.00 C ATOM 884 O PHE A 59 -0.480 -5.553 1.533 1.00 0.00 O ATOM 885 CB PHE A 59 -0.562 -6.306 -1.747 1.00 0.00 C ATOM 886 CG PHE A 59 0.057 -6.761 -3.038 1.00 0.00 C ATOM 887 CD1 PHE A 59 0.461 -8.076 -3.204 1.00 0.00 C ATOM 888 CD2 PHE A 59 0.232 -5.872 -4.086 1.00 0.00 C ATOM 889 CE1 PHE A 59 1.028 -8.496 -4.391 1.00 0.00 C ATOM 890 CE2 PHE A 59 0.798 -6.286 -5.274 1.00 0.00 C ATOM 891 CZ PHE A 59 1.195 -7.599 -5.427 1.00 0.00 C ATOM 0 H PHE A 59 -0.289 -8.019 0.239 1.00 0.00 H new ATOM 0 HA PHE A 59 1.402 -5.915 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.369 -6.989 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.011 -5.324 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.331 -8.780 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.078 -4.844 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.340 -9.523 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.930 -5.583 -6.083 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.636 -7.925 -6.357 1.00 0.00 H new ATOM 901 N ALA A 60 0.046 -3.921 0.071 1.00 0.00 N ATOM 902 CA ALA A 60 -0.370 -2.839 0.957 1.00 0.00 C ATOM 903 C ALA A 60 -1.010 -1.692 0.180 1.00 0.00 C ATOM 904 O ALA A 60 -0.743 -1.506 -1.009 1.00 0.00 O ATOM 905 CB ALA A 60 0.819 -2.333 1.761 1.00 0.00 C ATOM 0 H ALA A 60 0.404 -3.611 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.121 -3.237 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.497 -1.526 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.227 -3.148 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.587 -1.963 1.081 1.00 0.00 H new ATOM 911 N PHE A 61 -1.852 -0.924 0.868 1.00 0.00 N ATOM 912 CA PHE A 61 -2.537 0.214 0.262 1.00 0.00 C ATOM 913 C PHE A 61 -2.851 1.272 1.316 1.00 0.00 C ATOM 914 O PHE A 61 -3.314 0.945 2.407 1.00 0.00 O ATOM 915 CB PHE A 61 -3.833 -0.247 -0.413 1.00 0.00 C ATOM 916 CG PHE A 61 -4.131 0.462 -1.704 1.00 0.00 C ATOM 917 CD1 PHE A 61 -4.713 1.720 -1.704 1.00 0.00 C ATOM 918 CD2 PHE A 61 -3.831 -0.132 -2.920 1.00 0.00 C ATOM 919 CE1 PHE A 61 -4.990 2.372 -2.891 1.00 0.00 C ATOM 920 CE2 PHE A 61 -4.105 0.514 -4.110 1.00 0.00 C ATOM 921 CZ PHE A 61 -4.685 1.768 -4.096 1.00 0.00 C ATOM 0 H PHE A 61 -2.077 -1.071 1.852 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.879 0.651 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.771 -1.318 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.664 -0.094 0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.953 2.197 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.377 -1.112 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.444 3.352 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.866 0.039 -5.050 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.900 2.275 -5.025 1.00 0.00 H new ATOM 931 N VAL A 62 -2.599 2.537 0.987 1.00 0.00 N ATOM 932 CA VAL A 62 -2.863 3.635 1.916 1.00 0.00 C ATOM 933 C VAL A 62 -3.110 4.945 1.171 1.00 0.00 C ATOM 934 O VAL A 62 -2.461 5.231 0.163 1.00 0.00 O ATOM 935 CB VAL A 62 -1.702 3.825 2.921 1.00 0.00 C ATOM 936 CG1 VAL A 62 -0.415 4.199 2.202 1.00 0.00 C ATOM 937 CG2 VAL A 62 -2.060 4.874 3.966 1.00 0.00 C ATOM 0 H VAL A 62 -2.214 2.827 0.088 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.763 3.366 2.470 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.539 2.876 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.385 4.327 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.146 3.408 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.561 5.131 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.230 4.992 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.258 5.826 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.949 4.556 4.511 1.00 0.00 H new ATOM 947 N ARG A 63 -4.050 5.739 1.682 1.00 0.00 N ATOM 948 CA ARG A 63 -4.385 7.023 1.076 1.00 0.00 C ATOM 949 C ARG A 63 -3.896 8.174 1.951 1.00 0.00 C ATOM 950 O ARG A 63 -3.743 8.021 3.165 1.00 0.00 O ATOM 951 CB ARG A 63 -5.896 7.135 0.858 1.00 0.00 C ATOM 952 CG ARG A 63 -6.292 8.282 -0.059 1.00 0.00 C ATOM 953 CD ARG A 63 -7.802 8.404 -0.186 1.00 0.00 C ATOM 954 NE ARG A 63 -8.341 9.487 0.637 1.00 0.00 N ATOM 955 CZ ARG A 63 -9.570 9.989 0.500 1.00 0.00 C ATOM 956 NH1 ARG A 63 -10.393 9.509 -0.428 1.00 0.00 N ATOM 957 NH2 ARG A 63 -9.977 10.973 1.291 1.00 0.00 N ATOM 0 H ARG A 63 -4.593 5.513 2.516 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.886 7.083 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.265 6.200 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.386 7.266 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.883 9.215 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.855 8.127 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.064 8.578 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.267 7.462 0.106 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.740 9.883 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.086 8.753 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.331 9.897 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.351 11.346 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.916 11.356 1.186 1.00 0.00 H new ATOM 971 N PHE A 64 -3.651 9.325 1.329 1.00 0.00 N ATOM 972 CA PHE A 64 -3.177 10.502 2.050 1.00 0.00 C ATOM 973 C PHE A 64 -4.083 11.701 1.794 1.00 0.00 C ATOM 974 O PHE A 64 -4.695 11.812 0.731 1.00 0.00 O ATOM 975 CB PHE A 64 -1.742 10.837 1.638 1.00 0.00 C ATOM 976 CG PHE A 64 -0.765 9.722 1.894 1.00 0.00 C ATOM 977 CD1 PHE A 64 -0.641 8.674 0.997 1.00 0.00 C ATOM 978 CD2 PHE A 64 0.027 9.725 3.031 1.00 0.00 C ATOM 979 CE1 PHE A 64 0.256 7.648 1.229 1.00 0.00 C ATOM 980 CE2 PHE A 64 0.926 8.703 3.267 1.00 0.00 C ATOM 981 CZ PHE A 64 1.041 7.664 2.365 1.00 0.00 C ATOM 0 H PHE A 64 -3.773 9.467 0.326 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.198 10.274 3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.726 11.086 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.416 11.726 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.252 8.658 0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.059 10.535 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.343 6.835 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.538 8.717 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.744 6.865 2.548 1.00 0.00 H new ATOM 991 N THR A 65 -4.163 12.596 2.777 1.00 0.00 N ATOM 992 CA THR A 65 -4.992 13.792 2.661 1.00 0.00 C ATOM 993 C THR A 65 -4.356 14.964 3.410 1.00 0.00 C ATOM 994 O THR A 65 -4.465 15.063 4.633 1.00 0.00 O ATOM 995 CB THR A 65 -6.403 13.521 3.200 1.00 0.00 C ATOM 996 OG1 THR A 65 -6.850 12.231 2.818 1.00 0.00 O ATOM 997 CG2 THR A 65 -7.431 14.521 2.715 1.00 0.00 C ATOM 0 H THR A 65 -3.663 12.515 3.662 1.00 0.00 H new ATOM 0 HA THR A 65 -5.066 14.055 1.606 1.00 0.00 H new ATOM 0 HB THR A 65 -6.317 13.605 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.751 12.078 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.406 14.272 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.144 15.522 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.484 14.490 1.627 1.00 0.00 H new ATOM 1005 N THR A 66 -3.688 15.845 2.666 1.00 0.00 N ATOM 1006 CA THR A 66 -3.029 17.007 3.256 1.00 0.00 C ATOM 1007 C THR A 66 -3.819 18.284 2.974 1.00 0.00 C ATOM 1008 O THR A 66 -3.611 18.940 1.951 1.00 0.00 O ATOM 1009 CB THR A 66 -1.599 17.143 2.722 1.00 0.00 C ATOM 1010 OG1 THR A 66 -1.582 17.098 1.305 1.00 0.00 O ATOM 1011 CG2 THR A 66 -0.667 16.064 3.227 1.00 0.00 C ATOM 0 H THR A 66 -3.590 15.775 1.653 1.00 0.00 H new ATOM 0 HA THR A 66 -2.988 16.859 4.335 1.00 0.00 H new ATOM 0 HB THR A 66 -1.246 18.107 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.255 17.716 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.328 16.219 2.811 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.616 16.107 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.041 15.087 2.919 1.00 0.00 H new ATOM 1019 N GLY A 67 -4.724 18.629 3.886 1.00 0.00 N ATOM 1020 CA GLY A 67 -5.531 19.826 3.720 1.00 0.00 C ATOM 1021 C GLY A 67 -6.138 20.312 5.023 1.00 0.00 C ATOM 1022 O GLY A 67 -6.224 19.557 5.995 1.00 0.00 O ATOM 0 H GLY A 67 -4.913 18.101 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.915 20.618 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.329 19.624 3.006 1.00 0.00 H new ATOM 1026 N ASP A 68 -6.564 21.574 5.042 1.00 0.00 N ATOM 1027 CA ASP A 68 -7.172 22.161 6.235 1.00 0.00 C ATOM 1028 C ASP A 68 -8.024 23.378 5.880 1.00 0.00 C ATOM 1029 O ASP A 68 -7.594 24.522 6.040 1.00 0.00 O ATOM 1030 CB ASP A 68 -6.092 22.553 7.247 1.00 0.00 C ATOM 1031 CG ASP A 68 -6.664 22.828 8.625 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -7.342 21.934 9.176 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -6.437 23.936 9.153 1.00 0.00 O ATOM 0 H ASP A 68 -6.500 22.209 4.246 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.822 21.409 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.355 21.753 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.568 23.440 6.890 1.00 0.00 H new ATOM 1038 N ALA A 69 -9.241 23.114 5.407 1.00 0.00 N ATOM 1039 CA ALA A 69 -10.182 24.169 5.025 1.00 0.00 C ATOM 1040 C ALA A 69 -9.512 25.273 4.211 1.00 0.00 C ATOM 1041 O ALA A 69 -9.836 26.455 4.349 1.00 0.00 O ATOM 1042 CB ALA A 69 -10.835 24.751 6.261 1.00 0.00 C ATOM 0 H ALA A 69 -9.602 22.169 5.278 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.943 23.716 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.533 25.535 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.373 23.966 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.070 25.172 6.913 1.00 0.00 H new ATOM 1048 N MET A 70 -8.581 24.873 3.364 1.00 0.00 N ATOM 1049 CA MET A 70 -7.852 25.812 2.514 1.00 0.00 C ATOM 1050 C MET A 70 -7.320 25.127 1.254 1.00 0.00 C ATOM 1051 O MET A 70 -7.312 25.719 0.176 1.00 0.00 O ATOM 1052 CB MET A 70 -6.700 26.457 3.293 1.00 0.00 C ATOM 1053 CG MET A 70 -5.616 25.477 3.715 1.00 0.00 C ATOM 1054 SD MET A 70 -4.459 26.192 4.898 1.00 0.00 S ATOM 1055 CE MET A 70 -3.570 27.342 3.850 1.00 0.00 C ATOM 0 H MET A 70 -8.307 23.898 3.242 1.00 0.00 H new ATOM 0 HA MET A 70 -8.550 26.590 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.251 27.237 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.103 26.943 4.182 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.080 24.594 4.154 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.069 25.144 2.833 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.759 27.798 4.417 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.159 26.810 2.992 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.251 28.119 3.502 1.00 0.00 H new ATOM 1065 N SER A 71 -6.880 23.877 1.399 1.00 0.00 N ATOM 1066 CA SER A 71 -6.352 23.116 0.273 1.00 0.00 C ATOM 1067 C SER A 71 -6.434 21.619 0.553 1.00 0.00 C ATOM 1068 O SER A 71 -5.457 21.005 0.984 1.00 0.00 O ATOM 1069 CB SER A 71 -4.899 23.519 -0.018 1.00 0.00 C ATOM 1070 OG SER A 71 -4.827 24.557 -0.984 1.00 0.00 O ATOM 0 H SER A 71 -6.880 23.373 2.286 1.00 0.00 H new ATOM 0 HA SER A 71 -6.959 23.342 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.420 23.846 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.345 22.651 -0.374 1.00 0.00 H new ATOM 0 HG SER A 71 -5.581 25.171 -0.862 1.00 0.00 H new ATOM 1076 N LYS A 72 -7.606 21.038 0.308 1.00 0.00 N ATOM 1077 CA LYS A 72 -7.813 19.613 0.535 1.00 0.00 C ATOM 1078 C LYS A 72 -7.240 18.796 -0.621 1.00 0.00 C ATOM 1079 O LYS A 72 -7.862 18.681 -1.680 1.00 0.00 O ATOM 1080 CB LYS A 72 -9.306 19.309 0.705 1.00 0.00 C ATOM 1081 CG LYS A 72 -9.743 19.177 2.157 1.00 0.00 C ATOM 1082 CD LYS A 72 -10.571 20.373 2.600 1.00 0.00 C ATOM 1083 CE LYS A 72 -10.876 20.321 4.090 1.00 0.00 C ATOM 1084 NZ LYS A 72 -11.761 19.174 4.443 1.00 0.00 N ATOM 0 H LYS A 72 -8.425 21.532 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.292 19.334 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.885 20.102 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.541 18.384 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.325 18.264 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.865 19.085 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.034 21.293 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.504 20.399 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.943 20.243 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.353 21.253 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.997 19.217 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.635 19.224 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.269 18.281 4.240 1.00 0.00 H new ATOM 1098 N ARG A 73 -6.050 18.236 -0.414 1.00 0.00 N ATOM 1099 CA ARG A 73 -5.391 17.435 -1.441 1.00 0.00 C ATOM 1100 C ARG A 73 -5.291 15.973 -1.017 1.00 0.00 C ATOM 1101 O ARG A 73 -4.758 15.664 0.050 1.00 0.00 O ATOM 1102 CB ARG A 73 -3.995 17.992 -1.731 1.00 0.00 C ATOM 1103 CG ARG A 73 -3.960 18.961 -2.900 1.00 0.00 C ATOM 1104 CD ARG A 73 -2.570 19.541 -3.101 1.00 0.00 C ATOM 1105 NE ARG A 73 -2.560 20.616 -4.095 1.00 0.00 N ATOM 1106 CZ ARG A 73 -2.901 21.881 -3.832 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -3.294 22.235 -2.613 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -2.852 22.794 -4.795 1.00 0.00 N ATOM 0 H ARG A 73 -5.523 18.323 0.455 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.993 17.487 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.621 18.497 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.317 17.163 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.276 18.448 -3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.671 19.769 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.196 19.923 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.890 18.750 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.275 20.385 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.337 21.539 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.552 23.203 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.554 22.529 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.112 23.760 -4.596 1.00 0.00 H new ATOM 1122 N SER A 74 -5.800 15.079 -1.863 1.00 0.00 N ATOM 1123 CA SER A 74 -5.765 13.647 -1.584 1.00 0.00 C ATOM 1124 C SER A 74 -4.785 12.940 -2.517 1.00 0.00 C ATOM 1125 O SER A 74 -4.621 13.334 -3.672 1.00 0.00 O ATOM 1126 CB SER A 74 -7.162 13.037 -1.734 1.00 0.00 C ATOM 1127 OG SER A 74 -7.810 12.928 -0.478 1.00 0.00 O ATOM 0 H SER A 74 -6.242 15.323 -2.749 1.00 0.00 H new ATOM 0 HA SER A 74 -5.429 13.510 -0.556 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.761 13.654 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.084 12.051 -2.193 1.00 0.00 H new ATOM 0 HG SER A 74 -8.700 12.537 -0.602 1.00 0.00 H new ATOM 1133 N LYS A 75 -4.133 11.896 -2.008 1.00 0.00 N ATOM 1134 CA LYS A 75 -3.166 11.137 -2.796 1.00 0.00 C ATOM 1135 C LYS A 75 -3.291 9.640 -2.528 1.00 0.00 C ATOM 1136 O LYS A 75 -3.552 9.222 -1.398 1.00 0.00 O ATOM 1137 CB LYS A 75 -1.742 11.603 -2.484 1.00 0.00 C ATOM 1138 CG LYS A 75 -1.414 12.985 -3.027 1.00 0.00 C ATOM 1139 CD LYS A 75 0.043 13.350 -2.783 1.00 0.00 C ATOM 1140 CE LYS A 75 0.629 14.122 -3.954 1.00 0.00 C ATOM 1141 NZ LYS A 75 0.153 15.533 -3.988 1.00 0.00 N ATOM 0 H LYS A 75 -4.257 11.557 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.380 11.317 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.599 11.604 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.036 10.883 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.624 13.016 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.059 13.725 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.122 13.949 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.623 12.442 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.717 14.108 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.359 13.626 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.577 16.023 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.883 15.548 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.433 16.015 -3.110 1.00 0.00 H new ATOM 1155 N PHE A 76 -3.097 8.839 -3.573 1.00 0.00 N ATOM 1156 CA PHE A 76 -3.180 7.385 -3.454 1.00 0.00 C ATOM 1157 C PHE A 76 -1.849 6.744 -3.826 1.00 0.00 C ATOM 1158 O PHE A 76 -1.222 7.128 -4.815 1.00 0.00 O ATOM 1159 CB PHE A 76 -4.289 6.827 -4.353 1.00 0.00 C ATOM 1160 CG PHE A 76 -5.569 7.615 -4.300 1.00 0.00 C ATOM 1161 CD1 PHE A 76 -5.681 8.822 -4.971 1.00 0.00 C ATOM 1162 CD2 PHE A 76 -6.656 7.148 -3.580 1.00 0.00 C ATOM 1163 CE1 PHE A 76 -6.855 9.549 -4.925 1.00 0.00 C ATOM 1164 CE2 PHE A 76 -7.833 7.871 -3.531 1.00 0.00 C ATOM 1165 CZ PHE A 76 -7.932 9.073 -4.204 1.00 0.00 C ATOM 0 H PHE A 76 -2.881 9.172 -4.513 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.415 7.146 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.931 6.802 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.495 5.797 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.841 9.199 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.583 6.209 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.930 10.488 -5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.674 7.496 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.851 9.640 -4.166 1.00 0.00 H new ATOM 1175 N ALA A 77 -1.419 5.767 -3.030 1.00 0.00 N ATOM 1176 CA ALA A 77 -0.158 5.084 -3.284 1.00 0.00 C ATOM 1177 C ALA A 77 -0.248 3.595 -2.964 1.00 0.00 C ATOM 1178 O ALA A 77 -0.869 3.195 -1.978 1.00 0.00 O ATOM 1179 CB ALA A 77 0.963 5.729 -2.483 1.00 0.00 C ATOM 0 H ALA A 77 -1.924 5.434 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 77 0.061 5.181 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.899 5.208 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.061 6.775 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.733 5.666 -1.419 1.00 0.00 H new ATOM 1185 N LEU A 78 0.386 2.782 -3.807 1.00 0.00 N ATOM 1186 CA LEU A 78 0.398 1.334 -3.628 1.00 0.00 C ATOM 1187 C LEU A 78 1.787 0.866 -3.204 1.00 0.00 C ATOM 1188 O LEU A 78 2.765 1.068 -3.926 1.00 0.00 O ATOM 1189 CB LEU A 78 -0.020 0.636 -4.925 1.00 0.00 C ATOM 1190 CG LEU A 78 -0.858 -0.629 -4.744 1.00 0.00 C ATOM 1191 CD1 LEU A 78 -1.506 -1.029 -6.060 1.00 0.00 C ATOM 1192 CD2 LEU A 78 -0.002 -1.764 -4.204 1.00 0.00 C ATOM 0 H LEU A 78 0.901 3.106 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.314 1.074 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.585 1.343 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.878 0.380 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.646 -0.420 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.099 -1.932 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.152 -0.223 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.732 -1.220 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.616 -2.656 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.808 -1.974 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.417 -1.477 -3.240 1.00 0.00 H new ATOM 1204 N ILE A 79 1.872 0.248 -2.029 1.00 0.00 N ATOM 1205 CA ILE A 79 3.149 -0.237 -1.516 1.00 0.00 C ATOM 1206 C ILE A 79 3.178 -1.762 -1.448 1.00 0.00 C ATOM 1207 O ILE A 79 2.287 -2.386 -0.869 1.00 0.00 O ATOM 1208 CB ILE A 79 3.453 0.338 -0.114 1.00 0.00 C ATOM 1209 CG1 ILE A 79 3.226 1.854 -0.092 1.00 0.00 C ATOM 1210 CG2 ILE A 79 4.881 0.008 0.294 1.00 0.00 C ATOM 1211 CD1 ILE A 79 2.016 2.274 0.712 1.00 0.00 C ATOM 0 H ILE A 79 1.075 0.072 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 79 3.915 0.105 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 79 2.772 -0.121 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.111 2.339 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.113 2.211 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.081 0.419 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.012 -1.074 0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.575 0.442 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.918 3.359 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.121 1.818 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.135 1.948 1.745 1.00 0.00 H new ATOM 1223 N THR A 80 4.216 -2.354 -2.038 1.00 0.00 N ATOM 1224 CA THR A 80 4.373 -3.806 -2.040 1.00 0.00 C ATOM 1225 C THR A 80 5.421 -4.225 -1.013 1.00 0.00 C ATOM 1226 O THR A 80 6.505 -3.643 -0.953 1.00 0.00 O ATOM 1227 CB THR A 80 4.778 -4.304 -3.432 1.00 0.00 C ATOM 1228 OG1 THR A 80 4.201 -3.500 -4.449 1.00 0.00 O ATOM 1229 CG2 THR A 80 4.369 -5.739 -3.695 1.00 0.00 C ATOM 0 H THR A 80 4.960 -1.850 -2.520 1.00 0.00 H new ATOM 0 HA THR A 80 3.415 -4.254 -1.775 1.00 0.00 H new ATOM 0 HB THR A 80 5.866 -4.240 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.896 -3.226 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.685 -6.030 -4.697 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.842 -6.392 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.286 -5.829 -3.616 1.00 0.00 H new ATOM 1237 N TRP A 81 5.093 -5.230 -0.205 1.00 0.00 N ATOM 1238 CA TRP A 81 6.015 -5.711 0.819 1.00 0.00 C ATOM 1239 C TRP A 81 6.568 -7.090 0.468 1.00 0.00 C ATOM 1240 O TRP A 81 5.812 -8.043 0.267 1.00 0.00 O ATOM 1241 CB TRP A 81 5.322 -5.760 2.185 1.00 0.00 C ATOM 1242 CG TRP A 81 6.156 -6.412 3.249 1.00 0.00 C ATOM 1243 CD1 TRP A 81 5.847 -7.537 3.959 1.00 0.00 C ATOM 1244 CD2 TRP A 81 7.438 -5.980 3.715 1.00 0.00 C ATOM 1245 NE1 TRP A 81 6.860 -7.828 4.841 1.00 0.00 N ATOM 1246 CE2 TRP A 81 7.847 -6.886 4.712 1.00 0.00 C ATOM 1247 CE3 TRP A 81 8.280 -4.911 3.390 1.00 0.00 C ATOM 1248 CZ2 TRP A 81 9.061 -6.759 5.381 1.00 0.00 C ATOM 1249 CZ3 TRP A 81 9.483 -4.786 4.056 1.00 0.00 C ATOM 1250 CH2 TRP A 81 9.864 -5.704 5.042 1.00 0.00 C ATOM 0 H TRP A 81 4.201 -5.724 -0.239 1.00 0.00 H new ATOM 0 HA TRP A 81 6.849 -5.011 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 81 5.076 -4.745 2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 81 4.381 -6.301 2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 81 4.941 -8.113 3.844 1.00 0.00 H new ATOM 0 HE1 TRP A 81 6.875 -8.617 5.487 1.00 0.00 H new ATOM 0 HE3 TRP A 81 7.994 -4.197 2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 9.358 -7.467 6.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 10.142 -3.966 3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 81 10.811 -5.577 5.545 1.00 0.00 H new ATOM 1261 N ILE A 82 7.894 -7.190 0.417 1.00 0.00 N ATOM 1262 CA ILE A 82 8.563 -8.448 0.117 1.00 0.00 C ATOM 1263 C ILE A 82 9.367 -8.912 1.333 1.00 0.00 C ATOM 1264 O ILE A 82 10.458 -8.407 1.603 1.00 0.00 O ATOM 1265 CB ILE A 82 9.484 -8.321 -1.119 1.00 0.00 C ATOM 1266 CG1 ILE A 82 10.181 -9.650 -1.407 1.00 0.00 C ATOM 1267 CG2 ILE A 82 10.509 -7.209 -0.929 1.00 0.00 C ATOM 1268 CD1 ILE A 82 10.272 -9.980 -2.879 1.00 0.00 C ATOM 0 H ILE A 82 8.528 -6.408 0.581 1.00 0.00 H new ATOM 0 HA ILE A 82 7.799 -9.190 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 82 8.863 -8.062 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.186 -9.622 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.645 -10.450 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.142 -7.143 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.993 -6.260 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.125 -7.427 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.778 -10.937 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.269 -10.041 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.835 -9.200 -3.393 1.00 0.00 H new ATOM 1280 N GLY A 83 8.798 -9.856 2.082 1.00 0.00 N ATOM 1281 CA GLY A 83 9.449 -10.354 3.281 1.00 0.00 C ATOM 1282 C GLY A 83 10.667 -11.217 3.007 1.00 0.00 C ATOM 1283 O GLY A 83 10.615 -12.429 3.201 1.00 0.00 O ATOM 0 H GLY A 83 7.895 -10.285 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.748 -9.507 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.729 -10.932 3.860 1.00 0.00 H new ATOM 1287 N GLU A 84 11.759 -10.561 2.584 1.00 0.00 N ATOM 1288 CA GLU A 84 13.061 -11.193 2.288 1.00 0.00 C ATOM 1289 C GLU A 84 12.989 -12.682 1.930 1.00 0.00 C ATOM 1290 O GLU A 84 13.149 -13.055 0.767 1.00 0.00 O ATOM 1291 CB GLU A 84 13.995 -11.015 3.484 1.00 0.00 C ATOM 1292 CG GLU A 84 14.550 -9.606 3.625 1.00 0.00 C ATOM 1293 CD GLU A 84 16.051 -9.546 3.410 1.00 0.00 C ATOM 1294 OE1 GLU A 84 16.508 -9.911 2.306 1.00 0.00 O ATOM 1295 OE2 GLU A 84 16.769 -9.136 4.345 1.00 0.00 O ATOM 0 H GLU A 84 11.765 -9.552 2.434 1.00 0.00 H new ATOM 0 HA GLU A 84 13.437 -10.687 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.457 -11.276 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.825 -11.715 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.057 -8.952 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.313 -9.224 4.618 1.00 0.00 H new ATOM 1302 N ASN A 85 12.778 -13.524 2.949 1.00 0.00 N ATOM 1303 CA ASN A 85 12.712 -14.977 2.788 1.00 0.00 C ATOM 1304 C ASN A 85 11.785 -15.409 1.654 1.00 0.00 C ATOM 1305 O ASN A 85 11.873 -16.545 1.186 1.00 0.00 O ATOM 1306 CB ASN A 85 12.257 -15.614 4.098 1.00 0.00 C ATOM 1307 CG ASN A 85 13.368 -15.653 5.125 1.00 0.00 C ATOM 1308 OD1 ASN A 85 14.197 -16.563 5.126 1.00 0.00 O ATOM 1309 ND2 ASN A 85 13.393 -14.659 6.005 1.00 0.00 N ATOM 0 H ASN A 85 12.648 -13.213 3.912 1.00 0.00 H new ATOM 0 HA ASN A 85 13.713 -15.318 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.412 -15.054 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.905 -16.628 3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.120 -14.629 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.685 -13.926 5.966 1.00 0.00 H new ATOM 1316 N VAL A 86 10.901 -14.507 1.223 1.00 0.00 N ATOM 1317 CA VAL A 86 9.958 -14.798 0.137 1.00 0.00 C ATOM 1318 C VAL A 86 10.596 -15.678 -0.944 1.00 0.00 C ATOM 1319 O VAL A 86 11.471 -15.229 -1.687 1.00 0.00 O ATOM 1320 CB VAL A 86 9.436 -13.506 -0.528 1.00 0.00 C ATOM 1321 CG1 VAL A 86 8.293 -13.829 -1.470 1.00 0.00 C ATOM 1322 CG2 VAL A 86 8.996 -12.486 0.513 1.00 0.00 C ATOM 0 H VAL A 86 10.817 -13.567 1.609 1.00 0.00 H new ATOM 0 HA VAL A 86 9.125 -15.331 0.595 1.00 0.00 H new ATOM 0 HB VAL A 86 10.253 -13.066 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.933 -12.911 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.641 -14.513 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.482 -14.296 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.634 -11.588 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.197 -12.909 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.842 -12.230 1.151 1.00 0.00 H new ATOM 1332 N SER A 87 10.156 -16.933 -1.012 1.00 0.00 N ATOM 1333 CA SER A 87 10.681 -17.890 -1.988 1.00 0.00 C ATOM 1334 C SER A 87 10.428 -17.429 -3.423 1.00 0.00 C ATOM 1335 O SER A 87 9.672 -16.486 -3.661 1.00 0.00 O ATOM 1336 CB SER A 87 10.048 -19.265 -1.766 1.00 0.00 C ATOM 1337 OG SER A 87 10.100 -19.639 -0.400 1.00 0.00 O ATOM 0 H SER A 87 9.434 -17.314 -0.400 1.00 0.00 H new ATOM 0 HA SER A 87 11.759 -17.955 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.011 -19.249 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.568 -20.009 -2.369 1.00 0.00 H new ATOM 0 HG SER A 87 9.687 -20.521 -0.286 1.00 0.00 H new ATOM 1343 N GLY A 88 11.068 -18.111 -4.376 1.00 0.00 N ATOM 1344 CA GLY A 88 10.905 -17.773 -5.781 1.00 0.00 C ATOM 1345 C GLY A 88 9.461 -17.870 -6.237 1.00 0.00 C ATOM 1346 O GLY A 88 8.943 -16.950 -6.871 1.00 0.00 O ATOM 0 H GLY A 88 11.698 -18.893 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.270 -16.760 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.519 -18.440 -6.386 1.00 0.00 H new ATOM 1350 N LEU A 89 8.805 -18.984 -5.903 1.00 0.00 N ATOM 1351 CA LEU A 89 7.407 -19.193 -6.273 1.00 0.00 C ATOM 1352 C LEU A 89 6.534 -18.066 -5.726 1.00 0.00 C ATOM 1353 O LEU A 89 5.610 -17.603 -6.398 1.00 0.00 O ATOM 1354 CB LEU A 89 6.909 -20.542 -5.748 1.00 0.00 C ATOM 1355 CG LEU A 89 5.818 -21.203 -6.592 1.00 0.00 C ATOM 1356 CD1 LEU A 89 6.309 -21.447 -8.011 1.00 0.00 C ATOM 1357 CD2 LEU A 89 5.369 -22.507 -5.952 1.00 0.00 C ATOM 0 H LEU A 89 9.221 -19.753 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 89 7.339 -19.193 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.757 -21.223 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.530 -20.403 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 89 4.964 -20.527 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.517 -21.918 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.582 -20.497 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.180 -22.102 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.592 -22.965 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.218 -23.186 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.974 -22.306 -4.956 1.00 0.00 H new ATOM 1369 N GLN A 90 6.842 -17.625 -4.507 1.00 0.00 N ATOM 1370 CA GLN A 90 6.102 -16.545 -3.869 1.00 0.00 C ATOM 1371 C GLN A 90 6.364 -15.224 -4.587 1.00 0.00 C ATOM 1372 O GLN A 90 5.457 -14.405 -4.750 1.00 0.00 O ATOM 1373 CB GLN A 90 6.501 -16.437 -2.397 1.00 0.00 C ATOM 1374 CG GLN A 90 5.932 -17.549 -1.531 1.00 0.00 C ATOM 1375 CD GLN A 90 4.414 -17.599 -1.566 1.00 0.00 C ATOM 1376 OE1 GLN A 90 3.743 -16.956 -0.760 1.00 0.00 O ATOM 1377 NE2 GLN A 90 3.863 -18.365 -2.505 1.00 0.00 N ATOM 0 H GLN A 90 7.603 -18.003 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 90 5.036 -16.765 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.588 -16.449 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.165 -15.476 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.331 -18.506 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.263 -17.409 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.456 -18.882 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.848 -18.435 -2.575 1.00 0.00 H new ATOM 1386 N ARG A 91 7.610 -15.033 -5.026 1.00 0.00 N ATOM 1387 CA ARG A 91 8.002 -13.825 -5.745 1.00 0.00 C ATOM 1388 C ARG A 91 7.174 -13.670 -7.017 1.00 0.00 C ATOM 1389 O ARG A 91 6.586 -12.615 -7.261 1.00 0.00 O ATOM 1390 CB ARG A 91 9.487 -13.877 -6.102 1.00 0.00 C ATOM 1391 CG ARG A 91 10.401 -13.343 -5.012 1.00 0.00 C ATOM 1392 CD ARG A 91 10.882 -11.936 -5.328 1.00 0.00 C ATOM 1393 NE ARG A 91 11.664 -11.889 -6.563 1.00 0.00 N ATOM 1394 CZ ARG A 91 12.439 -10.864 -6.914 1.00 0.00 C ATOM 1395 NH1 ARG A 91 12.535 -9.793 -6.132 1.00 0.00 N ATOM 1396 NH2 ARG A 91 13.119 -10.911 -8.054 1.00 0.00 N ATOM 0 H ARG A 91 8.366 -15.705 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 91 7.821 -12.968 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.762 -14.909 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.652 -13.303 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.871 -13.342 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.259 -14.005 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.023 -11.271 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.488 -11.566 -4.501 1.00 0.00 H new ATOM 0 HE ARG A 91 11.613 -12.689 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.013 -9.752 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.131 -9.012 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.047 -11.730 -8.658 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.713 -10.128 -8.326 1.00 0.00 H new ATOM 1410 N ALA A 92 7.133 -14.736 -7.820 1.00 0.00 N ATOM 1411 CA ALA A 92 6.374 -14.735 -9.068 1.00 0.00 C ATOM 1412 C ALA A 92 4.901 -14.434 -8.810 1.00 0.00 C ATOM 1413 O ALA A 92 4.292 -13.634 -9.522 1.00 0.00 O ATOM 1414 CB ALA A 92 6.531 -16.067 -9.787 1.00 0.00 C ATOM 0 H ALA A 92 7.619 -15.612 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 92 6.772 -13.947 -9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.959 -16.049 -10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.584 -16.237 -10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.163 -16.870 -9.149 1.00 0.00 H new ATOM 1420 N LYS A 93 4.336 -15.073 -7.783 1.00 0.00 N ATOM 1421 CA LYS A 93 2.935 -14.863 -7.424 1.00 0.00 C ATOM 1422 C LYS A 93 2.671 -13.386 -7.147 1.00 0.00 C ATOM 1423 O LYS A 93 1.693 -12.821 -7.636 1.00 0.00 O ATOM 1424 CB LYS A 93 2.562 -15.702 -6.199 1.00 0.00 C ATOM 1425 CG LYS A 93 1.095 -16.102 -6.157 1.00 0.00 C ATOM 1426 CD LYS A 93 0.815 -17.306 -7.044 1.00 0.00 C ATOM 1427 CE LYS A 93 0.718 -18.590 -6.234 1.00 0.00 C ATOM 1428 NZ LYS A 93 -0.321 -19.511 -6.773 1.00 0.00 N ATOM 0 H LYS A 93 4.828 -15.739 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 93 2.316 -15.178 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.176 -16.603 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.802 -15.139 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.810 -16.332 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.479 -15.262 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.116 -17.148 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.607 -17.403 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.685 -19.093 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.486 -18.348 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.355 -20.374 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.248 -19.041 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.086 -19.763 -7.754 1.00 0.00 H new ATOM 1442 N THR A 94 3.562 -12.764 -6.371 1.00 0.00 N ATOM 1443 CA THR A 94 3.438 -11.348 -6.036 1.00 0.00 C ATOM 1444 C THR A 94 3.483 -10.488 -7.298 1.00 0.00 C ATOM 1445 O THR A 94 2.683 -9.565 -7.456 1.00 0.00 O ATOM 1446 CB THR A 94 4.557 -10.928 -5.077 1.00 0.00 C ATOM 1447 OG1 THR A 94 4.547 -11.734 -3.912 1.00 0.00 O ATOM 1448 CG2 THR A 94 4.459 -9.482 -4.636 1.00 0.00 C ATOM 0 H THR A 94 4.377 -13.222 -5.964 1.00 0.00 H new ATOM 0 HA THR A 94 2.476 -11.197 -5.547 1.00 0.00 H new ATOM 0 HB THR A 94 5.482 -11.057 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.858 -12.636 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.281 -9.252 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.514 -8.831 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.511 -9.322 -4.123 1.00 0.00 H new ATOM 1456 N GLY A 95 4.421 -10.801 -8.196 1.00 0.00 N ATOM 1457 CA GLY A 95 4.551 -10.051 -9.434 1.00 0.00 C ATOM 1458 C GLY A 95 3.264 -10.025 -10.242 1.00 0.00 C ATOM 1459 O GLY A 95 2.789 -8.954 -10.624 1.00 0.00 O ATOM 0 H GLY A 95 5.092 -11.561 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.852 -9.029 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.346 -10.489 -10.038 1.00 0.00 H new ATOM 1463 N THR A 96 2.695 -11.205 -10.499 1.00 0.00 N ATOM 1464 CA THR A 96 1.451 -11.310 -11.262 1.00 0.00 C ATOM 1465 C THR A 96 0.283 -10.689 -10.492 1.00 0.00 C ATOM 1466 O THR A 96 -0.591 -10.053 -11.084 1.00 0.00 O ATOM 1467 CB THR A 96 1.146 -12.776 -11.597 1.00 0.00 C ATOM 1468 OG1 THR A 96 1.603 -13.637 -10.568 1.00 0.00 O ATOM 1469 CG2 THR A 96 1.777 -13.237 -12.896 1.00 0.00 C ATOM 0 H THR A 96 3.076 -12.099 -10.190 1.00 0.00 H new ATOM 0 HA THR A 96 1.580 -10.758 -12.193 1.00 0.00 H new ATOM 0 HB THR A 96 0.062 -12.827 -11.698 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.459 -13.211 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.522 -14.282 -13.074 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.403 -12.628 -13.719 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.860 -13.134 -12.831 1.00 0.00 H new ATOM 1477 N ASP A 97 0.282 -10.871 -9.170 1.00 0.00 N ATOM 1478 CA ASP A 97 -0.771 -10.322 -8.314 1.00 0.00 C ATOM 1479 C ASP A 97 -0.860 -8.805 -8.463 1.00 0.00 C ATOM 1480 O ASP A 97 -1.955 -8.241 -8.516 1.00 0.00 O ATOM 1481 CB ASP A 97 -0.512 -10.689 -6.848 1.00 0.00 C ATOM 1482 CG ASP A 97 -1.212 -11.969 -6.426 1.00 0.00 C ATOM 1483 OD1 ASP A 97 -1.207 -12.940 -7.212 1.00 0.00 O ATOM 1484 OD2 ASP A 97 -1.760 -12.001 -5.304 1.00 0.00 O ATOM 0 H ASP A 97 0.999 -11.395 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.721 -10.756 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.561 -10.799 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.846 -9.871 -6.210 1.00 0.00 H new ATOM 1489 N LYS A 98 0.300 -8.154 -8.540 1.00 0.00 N ATOM 1490 CA LYS A 98 0.363 -6.703 -8.692 1.00 0.00 C ATOM 1491 C LYS A 98 -0.282 -6.261 -10.005 1.00 0.00 C ATOM 1492 O LYS A 98 -0.820 -5.157 -10.097 1.00 0.00 O ATOM 1493 CB LYS A 98 1.816 -6.226 -8.640 1.00 0.00 C ATOM 1494 CG LYS A 98 1.960 -4.726 -8.435 1.00 0.00 C ATOM 1495 CD LYS A 98 3.381 -4.261 -8.711 1.00 0.00 C ATOM 1496 CE LYS A 98 3.785 -3.123 -7.785 1.00 0.00 C ATOM 1497 NZ LYS A 98 5.241 -2.819 -7.882 1.00 0.00 N ATOM 0 H LYS A 98 1.211 -8.611 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.191 -6.254 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.331 -6.745 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.315 -6.507 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.269 -4.200 -9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.684 -4.469 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.069 -5.097 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.463 -3.935 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.210 -2.231 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.537 -3.386 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.476 -2.038 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.790 -3.663 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.474 -2.543 -8.857 1.00 0.00 H new ATOM 1511 N THR A 99 -0.226 -7.128 -11.015 1.00 0.00 N ATOM 1512 CA THR A 99 -0.807 -6.825 -12.320 1.00 0.00 C ATOM 1513 C THR A 99 -2.330 -6.758 -12.231 1.00 0.00 C ATOM 1514 O THR A 99 -2.947 -5.817 -12.734 1.00 0.00 O ATOM 1515 CB THR A 99 -0.383 -7.880 -13.347 1.00 0.00 C ATOM 1516 OG1 THR A 99 1.019 -8.082 -13.307 1.00 0.00 O ATOM 1517 CG2 THR A 99 -0.755 -7.523 -14.770 1.00 0.00 C ATOM 0 H THR A 99 0.216 -8.045 -10.954 1.00 0.00 H new ATOM 0 HA THR A 99 -0.438 -5.851 -12.642 1.00 0.00 H new ATOM 0 HB THR A 99 -0.923 -8.785 -13.067 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.271 -8.760 -13.968 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.424 -8.315 -15.442 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.837 -7.411 -14.846 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.273 -6.586 -15.048 1.00 0.00 H new ATOM 1525 N LEU A 100 -2.928 -7.757 -11.581 1.00 0.00 N ATOM 1526 CA LEU A 100 -4.375 -7.814 -11.417 1.00 0.00 C ATOM 1527 C LEU A 100 -4.882 -6.616 -10.615 1.00 0.00 C ATOM 1528 O LEU A 100 -5.899 -6.013 -10.959 1.00 0.00 O ATOM 1529 CB LEU A 100 -4.768 -9.118 -10.724 1.00 0.00 C ATOM 1530 CG LEU A 100 -4.222 -10.390 -11.379 1.00 0.00 C ATOM 1531 CD1 LEU A 100 -3.694 -11.353 -10.327 1.00 0.00 C ATOM 1532 CD2 LEU A 100 -5.294 -11.061 -12.222 1.00 0.00 C ATOM 0 H LEU A 100 -2.427 -8.539 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.836 -7.779 -12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.421 -9.082 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.856 -9.182 -10.693 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.396 -10.108 -12.032 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.311 -12.250 -10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.892 -10.874 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.500 -11.626 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.886 -11.963 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.141 -11.326 -11.590 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.624 -10.376 -13.003 1.00 0.00 H new ATOM 1544 N VAL A 101 -4.157 -6.272 -9.549 1.00 0.00 N ATOM 1545 CA VAL A 101 -4.524 -5.140 -8.700 1.00 0.00 C ATOM 1546 C VAL A 101 -4.356 -3.818 -9.452 1.00 0.00 C ATOM 1547 O VAL A 101 -5.097 -2.862 -9.217 1.00 0.00 O ATOM 1548 CB VAL A 101 -3.675 -5.105 -7.409 1.00 0.00 C ATOM 1549 CG1 VAL A 101 -4.144 -3.991 -6.484 1.00 0.00 C ATOM 1550 CG2 VAL A 101 -3.727 -6.448 -6.693 1.00 0.00 C ATOM 0 H VAL A 101 -3.312 -6.762 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.571 -5.269 -8.427 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.641 -4.905 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.532 -3.985 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.049 -3.032 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.187 -4.157 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.123 -6.401 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.759 -6.680 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.337 -7.226 -7.350 1.00 0.00 H new ATOM 1560 N LYS A 102 -3.383 -3.775 -10.362 1.00 0.00 N ATOM 1561 CA LYS A 102 -3.121 -2.579 -11.156 1.00 0.00 C ATOM 1562 C LYS A 102 -4.302 -2.262 -12.071 1.00 0.00 C ATOM 1563 O LYS A 102 -4.679 -1.102 -12.231 1.00 0.00 O ATOM 1564 CB LYS A 102 -1.852 -2.764 -11.991 1.00 0.00 C ATOM 1565 CG LYS A 102 -1.020 -1.500 -12.125 1.00 0.00 C ATOM 1566 CD LYS A 102 0.274 -1.763 -12.876 1.00 0.00 C ATOM 1567 CE LYS A 102 1.131 -0.510 -12.967 1.00 0.00 C ATOM 1568 NZ LYS A 102 2.019 -0.528 -14.165 1.00 0.00 N ATOM 0 H LYS A 102 -2.762 -4.558 -10.567 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.980 -1.743 -10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.241 -3.545 -11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.130 -3.113 -12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.597 -0.737 -12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.793 -1.105 -11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.834 -2.552 -12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.047 -2.123 -13.879 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.487 0.368 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.738 -0.420 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.586 0.343 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.652 -1.352 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.439 -0.588 -15.026 1.00 0.00 H new ATOM 1582 N GLU A 103 -4.879 -3.305 -12.671 1.00 0.00 N ATOM 1583 CA GLU A 103 -6.017 -3.144 -13.573 1.00 0.00 C ATOM 1584 C GLU A 103 -7.251 -2.648 -12.820 1.00 0.00 C ATOM 1585 O GLU A 103 -7.864 -1.652 -13.208 1.00 0.00 O ATOM 1586 CB GLU A 103 -6.329 -4.468 -14.274 1.00 0.00 C ATOM 1587 CG GLU A 103 -5.564 -4.663 -15.573 1.00 0.00 C ATOM 1588 CD GLU A 103 -6.045 -5.865 -16.361 1.00 0.00 C ATOM 1589 OE1 GLU A 103 -7.159 -5.800 -16.922 1.00 0.00 O ATOM 1590 OE2 GLU A 103 -5.308 -6.872 -16.419 1.00 0.00 O ATOM 0 H GLU A 103 -4.575 -4.271 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.750 -2.397 -14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.097 -5.291 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.398 -4.517 -14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.664 -3.768 -16.187 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.503 -4.780 -15.351 1.00 0.00 H new ATOM 1597 N VAL A 104 -7.610 -3.349 -11.744 1.00 0.00 N ATOM 1598 CA VAL A 104 -8.773 -2.979 -10.939 1.00 0.00 C ATOM 1599 C VAL A 104 -8.578 -1.614 -10.275 1.00 0.00 C ATOM 1600 O VAL A 104 -9.534 -0.854 -10.115 1.00 0.00 O ATOM 1601 CB VAL A 104 -9.082 -4.046 -9.863 1.00 0.00 C ATOM 1602 CG1 VAL A 104 -7.897 -4.240 -8.927 1.00 0.00 C ATOM 1603 CG2 VAL A 104 -10.334 -3.677 -9.080 1.00 0.00 C ATOM 0 H VAL A 104 -7.113 -4.175 -11.411 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.623 -2.919 -11.619 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.265 -4.992 -10.372 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.143 -4.996 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.029 -4.565 -9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.669 -3.298 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.532 -4.442 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.186 -2.715 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.182 -3.609 -9.761 1.00 0.00 H new ATOM 1613 N VAL A 105 -7.336 -1.306 -9.897 1.00 0.00 N ATOM 1614 CA VAL A 105 -7.021 -0.031 -9.260 1.00 0.00 C ATOM 1615 C VAL A 105 -6.017 0.759 -10.099 1.00 0.00 C ATOM 1616 O VAL A 105 -4.804 0.625 -9.927 1.00 0.00 O ATOM 1617 CB VAL A 105 -6.459 -0.229 -7.835 1.00 0.00 C ATOM 1618 CG1 VAL A 105 -6.244 1.113 -7.148 1.00 0.00 C ATOM 1619 CG2 VAL A 105 -7.386 -1.111 -7.009 1.00 0.00 C ATOM 0 H VAL A 105 -6.534 -1.923 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.953 0.530 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.494 -0.729 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.848 0.949 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.536 1.708 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.194 1.643 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.972 -1.238 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.367 -0.642 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.483 -2.085 -7.488 1.00 0.00 H new ATOM 1629 N GLN A 106 -6.535 1.577 -11.011 1.00 0.00 N ATOM 1630 CA GLN A 106 -5.694 2.389 -11.888 1.00 0.00 C ATOM 1631 C GLN A 106 -5.622 3.842 -11.412 1.00 0.00 C ATOM 1632 O GLN A 106 -4.661 4.551 -11.715 1.00 0.00 O ATOM 1633 CB GLN A 106 -6.221 2.329 -13.325 1.00 0.00 C ATOM 1634 CG GLN A 106 -5.785 1.082 -14.080 1.00 0.00 C ATOM 1635 CD GLN A 106 -6.195 1.104 -15.539 1.00 0.00 C ATOM 1636 OE1 GLN A 106 -5.433 1.541 -16.402 1.00 0.00 O ATOM 1637 NE2 GLN A 106 -7.405 0.633 -15.826 1.00 0.00 N ATOM 0 H GLN A 106 -7.537 1.696 -11.163 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.685 1.979 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.310 2.370 -13.306 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.878 3.211 -13.867 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.702 0.983 -14.013 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.215 0.203 -13.600 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.005 0.280 -15.080 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.733 0.625 -16.792 1.00 0.00 H new ATOM 1646 N ASN A 107 -6.638 4.281 -10.666 1.00 0.00 N ATOM 1647 CA ASN A 107 -6.678 5.648 -10.154 1.00 0.00 C ATOM 1648 C ASN A 107 -5.756 5.803 -8.945 1.00 0.00 C ATOM 1649 O ASN A 107 -6.195 5.709 -7.798 1.00 0.00 O ATOM 1650 CB ASN A 107 -8.114 6.044 -9.785 1.00 0.00 C ATOM 1651 CG ASN A 107 -8.627 7.203 -10.618 1.00 0.00 C ATOM 1652 OD1 ASN A 107 -8.707 8.335 -10.141 1.00 0.00 O ATOM 1653 ND2 ASN A 107 -8.979 6.927 -11.869 1.00 0.00 N ATOM 0 H ASN A 107 -7.441 3.709 -10.405 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.325 6.315 -10.941 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.771 5.185 -9.920 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.154 6.313 -8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.332 7.668 -12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.896 5.974 -12.224 1.00 0.00 H new ATOM 1660 N PHE A 108 -4.475 6.042 -9.217 1.00 0.00 N ATOM 1661 CA PHE A 108 -3.481 6.213 -8.159 1.00 0.00 C ATOM 1662 C PHE A 108 -2.414 7.225 -8.573 1.00 0.00 C ATOM 1663 O PHE A 108 -2.283 7.556 -9.752 1.00 0.00 O ATOM 1664 CB PHE A 108 -2.826 4.871 -7.811 1.00 0.00 C ATOM 1665 CG PHE A 108 -2.222 4.162 -8.992 1.00 0.00 C ATOM 1666 CD1 PHE A 108 -1.011 4.579 -9.522 1.00 0.00 C ATOM 1667 CD2 PHE A 108 -2.863 3.078 -9.570 1.00 0.00 C ATOM 1668 CE1 PHE A 108 -0.452 3.930 -10.605 1.00 0.00 C ATOM 1669 CE2 PHE A 108 -2.309 2.424 -10.652 1.00 0.00 C ATOM 1670 CZ PHE A 108 -1.102 2.850 -11.171 1.00 0.00 C ATOM 0 H PHE A 108 -4.100 6.122 -10.162 1.00 0.00 H new ATOM 0 HA PHE A 108 -3.994 6.593 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.049 5.040 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.572 4.222 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.498 5.422 -9.082 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.807 2.741 -9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.492 4.266 -11.009 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.819 1.580 -11.092 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.667 2.340 -12.018 1.00 0.00 H new ATOM 1680 N ALA A 109 -1.650 7.710 -7.596 1.00 0.00 N ATOM 1681 CA ALA A 109 -0.593 8.681 -7.861 1.00 0.00 C ATOM 1682 C ALA A 109 0.724 7.985 -8.194 1.00 0.00 C ATOM 1683 O ALA A 109 1.394 8.338 -9.165 1.00 0.00 O ATOM 1684 CB ALA A 109 -0.410 9.611 -6.670 1.00 0.00 C ATOM 0 H ALA A 109 -1.744 7.446 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.893 9.273 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.382 10.328 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.341 10.145 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.140 9.027 -5.790 1.00 0.00 H new ATOM 1690 N LYS A 110 1.092 6.999 -7.376 1.00 0.00 N ATOM 1691 CA LYS A 110 2.333 6.255 -7.578 1.00 0.00 C ATOM 1692 C LYS A 110 2.346 4.972 -6.752 1.00 0.00 C ATOM 1693 O LYS A 110 1.578 4.827 -5.800 1.00 0.00 O ATOM 1694 CB LYS A 110 3.536 7.126 -7.205 1.00 0.00 C ATOM 1695 CG LYS A 110 3.385 7.824 -5.861 1.00 0.00 C ATOM 1696 CD LYS A 110 4.722 7.965 -5.153 1.00 0.00 C ATOM 1697 CE LYS A 110 5.421 9.262 -5.530 1.00 0.00 C ATOM 1698 NZ LYS A 110 6.617 9.022 -6.384 1.00 0.00 N ATOM 0 H LYS A 110 0.548 6.698 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 110 2.396 5.984 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.432 6.505 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.686 7.877 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.945 8.810 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.697 7.259 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.568 7.934 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.361 7.119 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.722 9.910 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.722 9.789 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.675 9.759 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.474 9.050 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.538 8.089 -6.838 1.00 0.00 H new ATOM 1712 N GLU A 111 3.224 4.045 -7.123 1.00 0.00 N ATOM 1713 CA GLU A 111 3.343 2.771 -6.418 1.00 0.00 C ATOM 1714 C GLU A 111 4.767 2.233 -6.509 1.00 0.00 C ATOM 1715 O GLU A 111 5.400 2.306 -7.564 1.00 0.00 O ATOM 1716 CB GLU A 111 2.363 1.748 -6.998 1.00 0.00 C ATOM 1717 CG GLU A 111 2.435 1.623 -8.514 1.00 0.00 C ATOM 1718 CD GLU A 111 1.550 0.514 -9.054 1.00 0.00 C ATOM 1719 OE1 GLU A 111 1.586 -0.603 -8.493 1.00 0.00 O ATOM 1720 OE2 GLU A 111 0.824 0.762 -10.039 1.00 0.00 O ATOM 0 H GLU A 111 3.865 4.152 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 111 3.101 2.941 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.562 0.774 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.349 2.027 -6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.141 2.570 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.467 1.435 -8.810 1.00 0.00 H new ATOM 1727 N PHE A 112 5.265 1.689 -5.402 1.00 0.00 N ATOM 1728 CA PHE A 112 6.614 1.134 -5.364 1.00 0.00 C ATOM 1729 C PHE A 112 6.695 -0.060 -4.419 1.00 0.00 C ATOM 1730 O PHE A 112 5.773 -0.319 -3.644 1.00 0.00 O ATOM 1731 CB PHE A 112 7.632 2.204 -4.948 1.00 0.00 C ATOM 1732 CG PHE A 112 7.223 3.019 -3.751 1.00 0.00 C ATOM 1733 CD1 PHE A 112 6.421 4.140 -3.901 1.00 0.00 C ATOM 1734 CD2 PHE A 112 7.650 2.671 -2.480 1.00 0.00 C ATOM 1735 CE1 PHE A 112 6.054 4.898 -2.806 1.00 0.00 C ATOM 1736 CE2 PHE A 112 7.285 3.426 -1.380 1.00 0.00 C ATOM 1737 CZ PHE A 112 6.485 4.541 -1.544 1.00 0.00 C ATOM 0 H PHE A 112 4.755 1.621 -4.521 1.00 0.00 H new ATOM 0 HA PHE A 112 6.856 0.791 -6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.584 1.718 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.799 2.876 -5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.079 4.424 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.275 1.800 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.430 5.770 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.625 3.145 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.198 5.132 -0.687 1.00 0.00 H new ATOM 1747 N VAL A 113 7.810 -0.781 -4.490 1.00 0.00 N ATOM 1748 CA VAL A 113 8.032 -1.948 -3.646 1.00 0.00 C ATOM 1749 C VAL A 113 9.261 -1.748 -2.764 1.00 0.00 C ATOM 1750 O VAL A 113 10.279 -1.218 -3.213 1.00 0.00 O ATOM 1751 CB VAL A 113 8.208 -3.230 -4.491 1.00 0.00 C ATOM 1752 CG1 VAL A 113 9.401 -3.101 -5.426 1.00 0.00 C ATOM 1753 CG2 VAL A 113 8.355 -4.452 -3.594 1.00 0.00 C ATOM 0 H VAL A 113 8.578 -0.575 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 113 7.150 -2.066 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 113 7.313 -3.361 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.506 -4.015 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.247 -2.256 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.306 -2.939 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.478 -5.343 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.229 -4.330 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.464 -4.559 -2.975 1.00 0.00 H new ATOM 1763 N ILE A 114 9.158 -2.176 -1.509 1.00 0.00 N ATOM 1764 CA ILE A 114 10.262 -2.044 -0.565 1.00 0.00 C ATOM 1765 C ILE A 114 10.548 -3.371 0.130 1.00 0.00 C ATOM 1766 O ILE A 114 9.656 -4.206 0.293 1.00 0.00 O ATOM 1767 CB ILE A 114 9.978 -0.962 0.501 1.00 0.00 C ATOM 1768 CG1 ILE A 114 9.601 0.364 -0.166 1.00 0.00 C ATOM 1769 CG2 ILE A 114 11.185 -0.776 1.410 1.00 0.00 C ATOM 1770 CD1 ILE A 114 10.705 0.959 -1.017 1.00 0.00 C ATOM 0 H ILE A 114 8.323 -2.616 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 114 11.135 -1.742 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 114 9.137 -1.294 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.720 0.209 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.324 1.082 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.966 -0.010 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 114 11.410 -1.716 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.045 -0.468 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.362 1.896 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.581 1.148 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 114 10.967 0.261 -1.812 1.00 0.00 H new ATOM 1782 N SER A 115 11.801 -3.554 0.534 1.00 0.00 N ATOM 1783 CA SER A 115 12.226 -4.774 1.213 1.00 0.00 C ATOM 1784 C SER A 115 12.539 -4.508 2.686 1.00 0.00 C ATOM 1785 O SER A 115 12.389 -5.394 3.527 1.00 0.00 O ATOM 1786 CB SER A 115 13.454 -5.361 0.519 1.00 0.00 C ATOM 1787 OG SER A 115 13.241 -5.488 -0.877 1.00 0.00 O ATOM 0 H SER A 115 12.544 -2.868 0.402 1.00 0.00 H new ATOM 0 HA SER A 115 11.405 -5.490 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 115 14.318 -4.722 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.684 -6.338 0.945 1.00 0.00 H new ATOM 0 HG SER A 115 14.042 -5.864 -1.297 1.00 0.00 H new ATOM 1793 N ASP A 116 12.973 -3.286 2.991 1.00 0.00 N ATOM 1794 CA ASP A 116 13.306 -2.907 4.362 1.00 0.00 C ATOM 1795 C ASP A 116 12.178 -2.088 4.990 1.00 0.00 C ATOM 1796 O ASP A 116 11.460 -1.367 4.296 1.00 0.00 O ATOM 1797 CB ASP A 116 14.615 -2.113 4.392 1.00 0.00 C ATOM 1798 CG ASP A 116 14.558 -0.862 3.535 1.00 0.00 C ATOM 1799 OD1 ASP A 116 14.634 -0.985 2.294 1.00 0.00 O ATOM 1800 OD2 ASP A 116 14.437 0.241 4.106 1.00 0.00 O ATOM 0 H ASP A 116 13.102 -2.541 2.306 1.00 0.00 H new ATOM 0 HA ASP A 116 13.433 -3.819 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 116 14.843 -1.834 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 116 15.430 -2.749 4.046 1.00 0.00 H new ATOM 1805 N ARG A 117 12.029 -2.205 6.309 1.00 0.00 N ATOM 1806 CA ARG A 117 10.986 -1.476 7.033 1.00 0.00 C ATOM 1807 C ARG A 117 11.264 0.029 7.072 1.00 0.00 C ATOM 1808 O ARG A 117 10.346 0.823 7.274 1.00 0.00 O ATOM 1809 CB ARG A 117 10.853 -2.017 8.459 1.00 0.00 C ATOM 1810 CG ARG A 117 9.826 -3.130 8.591 1.00 0.00 C ATOM 1811 CD ARG A 117 9.790 -3.691 10.003 1.00 0.00 C ATOM 1812 NE ARG A 117 9.950 -5.145 10.023 1.00 0.00 N ATOM 1813 CZ ARG A 117 10.305 -5.843 11.105 1.00 0.00 C ATOM 1814 NH1 ARG A 117 10.534 -5.225 12.260 1.00 0.00 N ATOM 1815 NH2 ARG A 117 10.427 -7.163 11.030 1.00 0.00 N ATOM 0 H ARG A 117 12.616 -2.796 6.898 1.00 0.00 H new ATOM 0 HA ARG A 117 10.050 -1.629 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.823 -2.387 8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.579 -1.199 9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.840 -2.750 8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.061 -3.928 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.582 -3.232 10.595 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.844 -3.425 10.474 1.00 0.00 H new ATOM 0 HE ARG A 117 9.780 -5.657 9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.439 -4.211 12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.805 -5.765 13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.250 -7.642 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.698 -7.698 11.855 1.00 0.00 H new ATOM 1829 N LYS A 118 12.526 0.419 6.876 1.00 0.00 N ATOM 1830 CA LYS A 118 12.904 1.832 6.891 1.00 0.00 C ATOM 1831 C LYS A 118 12.191 2.605 5.780 1.00 0.00 C ATOM 1832 O LYS A 118 11.478 3.573 6.047 1.00 0.00 O ATOM 1833 CB LYS A 118 14.422 1.979 6.739 1.00 0.00 C ATOM 1834 CG LYS A 118 14.961 3.324 7.203 1.00 0.00 C ATOM 1835 CD LYS A 118 16.297 3.642 6.549 1.00 0.00 C ATOM 1836 CE LYS A 118 17.403 2.726 7.052 1.00 0.00 C ATOM 1837 NZ LYS A 118 18.744 3.144 6.554 1.00 0.00 N ATOM 0 H LYS A 118 13.300 -0.223 6.706 1.00 0.00 H new ATOM 0 HA LYS A 118 12.599 2.251 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.912 1.187 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.688 1.834 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.242 4.108 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.077 3.317 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.206 3.542 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.563 4.679 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.405 2.725 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 118 17.200 1.704 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.468 2.494 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.751 3.120 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.950 4.110 6.880 1.00 0.00 H new ATOM 1851 N GLU A 119 12.391 2.168 4.537 1.00 0.00 N ATOM 1852 CA GLU A 119 11.769 2.814 3.383 1.00 0.00 C ATOM 1853 C GLU A 119 10.281 2.468 3.278 1.00 0.00 C ATOM 1854 O GLU A 119 9.510 3.204 2.659 1.00 0.00 O ATOM 1855 CB GLU A 119 12.494 2.412 2.095 1.00 0.00 C ATOM 1856 CG GLU A 119 13.848 3.083 1.927 1.00 0.00 C ATOM 1857 CD GLU A 119 14.766 2.324 0.989 1.00 0.00 C ATOM 1858 OE1 GLU A 119 14.455 2.252 -0.220 1.00 0.00 O ATOM 1859 OE2 GLU A 119 15.798 1.802 1.461 1.00 0.00 O ATOM 0 H GLU A 119 12.980 1.368 4.304 1.00 0.00 H new ATOM 0 HA GLU A 119 11.853 3.892 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.630 1.331 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.865 2.661 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.703 4.094 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.327 3.174 2.902 1.00 0.00 H new ATOM 1866 N LEU A 120 9.880 1.350 3.887 1.00 0.00 N ATOM 1867 CA LEU A 120 8.485 0.920 3.862 1.00 0.00 C ATOM 1868 C LEU A 120 7.654 1.684 4.900 1.00 0.00 C ATOM 1869 O LEU A 120 6.439 1.829 4.745 1.00 0.00 O ATOM 1870 CB LEU A 120 8.396 -0.596 4.112 1.00 0.00 C ATOM 1871 CG LEU A 120 7.110 -1.077 4.788 1.00 0.00 C ATOM 1872 CD1 LEU A 120 5.936 -1.003 3.821 1.00 0.00 C ATOM 1873 CD2 LEU A 120 7.280 -2.492 5.319 1.00 0.00 C ATOM 0 H LEU A 120 10.503 0.728 4.402 1.00 0.00 H new ATOM 0 HA LEU A 120 8.076 1.141 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.498 -1.111 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 120 9.244 -0.896 4.728 1.00 0.00 H new ATOM 0 HG LEU A 120 6.900 -0.419 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.031 -1.349 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.798 0.028 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.137 -1.634 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.355 -2.815 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.517 -3.164 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.090 -2.512 6.048 1.00 0.00 H new ATOM 1885 N GLU A 121 8.313 2.164 5.958 1.00 0.00 N ATOM 1886 CA GLU A 121 7.644 2.904 7.022 1.00 0.00 C ATOM 1887 C GLU A 121 6.823 4.066 6.470 1.00 0.00 C ATOM 1888 O GLU A 121 7.204 4.711 5.490 1.00 0.00 O ATOM 1889 CB GLU A 121 8.671 3.426 8.031 1.00 0.00 C ATOM 1890 CG GLU A 121 8.077 3.746 9.396 1.00 0.00 C ATOM 1891 CD GLU A 121 9.043 4.494 10.295 1.00 0.00 C ATOM 1892 OE1 GLU A 121 9.593 5.524 9.850 1.00 0.00 O ATOM 1893 OE2 GLU A 121 9.251 4.051 11.444 1.00 0.00 O ATOM 0 H GLU A 121 9.317 2.050 6.097 1.00 0.00 H new ATOM 0 HA GLU A 121 6.961 2.217 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.459 2.683 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.139 4.324 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.174 4.342 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.778 2.818 9.884 1.00 0.00 H new ATOM 1900 N GLU A 122 5.691 4.322 7.118 1.00 0.00 N ATOM 1901 CA GLU A 122 4.788 5.402 6.720 1.00 0.00 C ATOM 1902 C GLU A 122 5.520 6.739 6.620 1.00 0.00 C ATOM 1903 O GLU A 122 5.185 7.573 5.779 1.00 0.00 O ATOM 1904 CB GLU A 122 3.629 5.521 7.714 1.00 0.00 C ATOM 1905 CG GLU A 122 2.581 6.544 7.302 1.00 0.00 C ATOM 1906 CD GLU A 122 1.516 6.750 8.360 1.00 0.00 C ATOM 1907 OE1 GLU A 122 1.799 7.446 9.358 1.00 0.00 O ATOM 1908 OE2 GLU A 122 0.399 6.219 8.190 1.00 0.00 O ATOM 0 H GLU A 122 5.373 3.792 7.929 1.00 0.00 H new ATOM 0 HA GLU A 122 4.396 5.154 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.152 4.547 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.026 5.792 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.070 7.496 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.108 6.220 6.375 1.00 0.00 H new ATOM 1915 N ASN A 123 6.522 6.936 7.477 1.00 0.00 N ATOM 1916 CA ASN A 123 7.300 8.172 7.476 1.00 0.00 C ATOM 1917 C ASN A 123 7.953 8.389 6.116 1.00 0.00 C ATOM 1918 O ASN A 123 7.982 9.507 5.599 1.00 0.00 O ATOM 1919 CB ASN A 123 8.370 8.130 8.572 1.00 0.00 C ATOM 1920 CG ASN A 123 8.318 9.337 9.489 1.00 0.00 C ATOM 1921 OD1 ASN A 123 9.231 10.163 9.496 1.00 0.00 O ATOM 1922 ND2 ASN A 123 7.250 9.446 10.273 1.00 0.00 N ATOM 0 H ASN A 123 6.813 6.256 8.179 1.00 0.00 H new ATOM 0 HA ASN A 123 6.625 9.004 7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.242 7.224 9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 123 9.355 8.073 8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.165 10.237 10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.516 8.739 10.236 1.00 0.00 H new ATOM 1929 N PHE A 124 8.465 7.305 5.539 1.00 0.00 N ATOM 1930 CA PHE A 124 9.110 7.360 4.234 1.00 0.00 C ATOM 1931 C PHE A 124 8.082 7.586 3.128 1.00 0.00 C ATOM 1932 O PHE A 124 8.289 8.411 2.239 1.00 0.00 O ATOM 1933 CB PHE A 124 9.884 6.069 3.972 1.00 0.00 C ATOM 1934 CG PHE A 124 10.750 6.137 2.748 1.00 0.00 C ATOM 1935 CD1 PHE A 124 10.234 5.817 1.503 1.00 0.00 C ATOM 1936 CD2 PHE A 124 12.075 6.531 2.840 1.00 0.00 C ATOM 1937 CE1 PHE A 124 11.023 5.886 0.373 1.00 0.00 C ATOM 1938 CE2 PHE A 124 12.871 6.601 1.712 1.00 0.00 C ATOM 1939 CZ PHE A 124 12.343 6.278 0.476 1.00 0.00 C ATOM 0 H PHE A 124 8.444 6.375 5.958 1.00 0.00 H new ATOM 0 HA PHE A 124 9.806 8.199 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.507 5.844 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 124 9.178 5.245 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 124 9.202 5.510 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.491 6.786 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 124 10.608 5.633 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 124 13.903 6.907 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 124 12.962 6.332 -0.408 1.00 0.00 H new ATOM 1949 N ILE A 125 6.972 6.847 3.192 1.00 0.00 N ATOM 1950 CA ILE A 125 5.908 6.966 2.198 1.00 0.00 C ATOM 1951 C ILE A 125 5.321 8.377 2.192 1.00 0.00 C ATOM 1952 O ILE A 125 5.180 8.993 1.136 1.00 0.00 O ATOM 1953 CB ILE A 125 4.770 5.949 2.452 1.00 0.00 C ATOM 1954 CG1 ILE A 125 5.330 4.533 2.619 1.00 0.00 C ATOM 1955 CG2 ILE A 125 3.763 5.986 1.310 1.00 0.00 C ATOM 1956 CD1 ILE A 125 4.307 3.531 3.114 1.00 0.00 C ATOM 0 H ILE A 125 6.789 6.160 3.923 1.00 0.00 H new ATOM 0 HA ILE A 125 6.359 6.753 1.229 1.00 0.00 H new ATOM 0 HB ILE A 125 4.265 6.228 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.726 4.193 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.166 4.562 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.968 5.265 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.336 6.986 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.263 5.733 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.774 2.551 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.928 3.848 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.482 3.473 2.404 1.00 0.00 H new ATOM 1968 N LYS A 126 4.983 8.878 3.381 1.00 0.00 N ATOM 1969 CA LYS A 126 4.412 10.216 3.523 1.00 0.00 C ATOM 1970 C LYS A 126 5.357 11.284 2.972 1.00 0.00 C ATOM 1971 O LYS A 126 4.912 12.298 2.433 1.00 0.00 O ATOM 1972 CB LYS A 126 4.097 10.500 4.996 1.00 0.00 C ATOM 1973 CG LYS A 126 2.739 11.147 5.220 1.00 0.00 C ATOM 1974 CD LYS A 126 2.446 11.335 6.701 1.00 0.00 C ATOM 1975 CE LYS A 126 1.060 10.823 7.070 1.00 0.00 C ATOM 1976 NZ LYS A 126 0.975 10.432 8.506 1.00 0.00 N ATOM 0 H LYS A 126 5.096 8.375 4.261 1.00 0.00 H new ATOM 0 HA LYS A 126 3.489 10.252 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.140 9.565 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.871 11.150 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.708 12.113 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.962 10.529 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.197 10.809 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.523 12.392 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.320 11.595 6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.812 9.965 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.003 10.547 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.263 9.438 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.606 11.038 9.069 1.00 0.00 H new ATOM 1990 N SER A 127 6.662 11.049 3.108 1.00 0.00 N ATOM 1991 CA SER A 127 7.668 11.988 2.620 1.00 0.00 C ATOM 1992 C SER A 127 7.863 11.846 1.110 1.00 0.00 C ATOM 1993 O SER A 127 7.944 12.844 0.392 1.00 0.00 O ATOM 1994 CB SER A 127 8.997 11.760 3.342 1.00 0.00 C ATOM 1995 OG SER A 127 9.929 12.784 3.033 1.00 0.00 O ATOM 0 H SER A 127 7.046 10.215 3.553 1.00 0.00 H new ATOM 0 HA SER A 127 7.317 12.999 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.829 11.730 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.408 10.792 3.056 1.00 0.00 H new ATOM 0 HG SER A 127 10.769 12.616 3.508 1.00 0.00 H new ATOM 2001 N GLU A 128 7.937 10.602 0.640 1.00 0.00 N ATOM 2002 CA GLU A 128 8.122 10.319 -0.782 1.00 0.00 C ATOM 2003 C GLU A 128 6.939 10.832 -1.606 1.00 0.00 C ATOM 2004 O GLU A 128 7.125 11.463 -2.648 1.00 0.00 O ATOM 2005 CB GLU A 128 8.299 8.813 -0.996 1.00 0.00 C ATOM 2006 CG GLU A 128 9.119 8.457 -2.226 1.00 0.00 C ATOM 2007 CD GLU A 128 8.299 8.475 -3.500 1.00 0.00 C ATOM 2008 OE1 GLU A 128 7.351 7.665 -3.609 1.00 0.00 O ATOM 2009 OE2 GLU A 128 8.601 9.299 -4.389 1.00 0.00 O ATOM 0 H GLU A 128 7.871 9.770 1.227 1.00 0.00 H new ATOM 0 HA GLU A 128 9.019 10.839 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.778 8.385 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.316 8.350 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.947 9.159 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 128 9.555 7.467 -2.093 1.00 0.00 H new ATOM 2016 N LEU A 129 5.724 10.560 -1.129 1.00 0.00 N ATOM 2017 CA LEU A 129 4.508 10.994 -1.817 1.00 0.00 C ATOM 2018 C LEU A 129 4.347 12.514 -1.774 1.00 0.00 C ATOM 2019 O LEU A 129 3.668 13.092 -2.626 1.00 0.00 O ATOM 2020 CB LEU A 129 3.277 10.329 -1.198 1.00 0.00 C ATOM 2021 CG LEU A 129 2.702 9.160 -2.000 1.00 0.00 C ATOM 2022 CD1 LEU A 129 3.255 7.838 -1.491 1.00 0.00 C ATOM 2023 CD2 LEU A 129 1.182 9.164 -1.933 1.00 0.00 C ATOM 0 H LEU A 129 5.556 10.040 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 129 4.599 10.691 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 129 3.538 9.973 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.499 11.083 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 129 3.001 9.278 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.834 7.019 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 129 4.340 7.835 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.987 7.711 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.790 8.326 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.863 9.071 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.802 10.098 -2.347 1.00 0.00 H new ATOM 2035 N LYS A 130 4.968 13.157 -0.780 1.00 0.00 N ATOM 2036 CA LYS A 130 4.888 14.610 -0.632 1.00 0.00 C ATOM 2037 C LYS A 130 5.234 15.317 -1.943 1.00 0.00 C ATOM 2038 O LYS A 130 4.564 16.272 -2.336 1.00 0.00 O ATOM 2039 CB LYS A 130 5.830 15.079 0.479 1.00 0.00 C ATOM 2040 CG LYS A 130 5.776 16.576 0.732 1.00 0.00 C ATOM 2041 CD LYS A 130 6.331 16.929 2.101 1.00 0.00 C ATOM 2042 CE LYS A 130 6.217 18.420 2.381 1.00 0.00 C ATOM 2043 NZ LYS A 130 7.538 19.105 2.309 1.00 0.00 N ATOM 0 H LYS A 130 5.531 12.693 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 130 3.863 14.867 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.580 14.554 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.851 14.800 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.345 17.097 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.745 16.922 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 130 5.793 16.372 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.376 16.625 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 130 5.534 18.873 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.784 18.571 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.415 20.119 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 8.182 18.691 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.941 18.984 1.358 1.00 0.00 H new ATOM 2057 N LYS A 131 6.280 14.836 -2.618 1.00 0.00 N ATOM 2058 CA LYS A 131 6.705 15.418 -3.886 1.00 0.00 C ATOM 2059 C LYS A 131 5.890 14.839 -5.039 1.00 0.00 C ATOM 2060 O LYS A 131 5.110 15.550 -5.674 1.00 0.00 O ATOM 2061 CB LYS A 131 8.200 15.176 -4.118 1.00 0.00 C ATOM 2062 CG LYS A 131 9.085 16.295 -3.589 1.00 0.00 C ATOM 2063 CD LYS A 131 10.127 16.719 -4.615 1.00 0.00 C ATOM 2064 CE LYS A 131 11.536 16.660 -4.044 1.00 0.00 C ATOM 2065 NZ LYS A 131 12.136 15.302 -4.179 1.00 0.00 N ATOM 0 H LYS A 131 6.845 14.046 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 131 6.532 16.493 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.487 14.240 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 131 8.379 15.056 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.467 17.152 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.584 15.965 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.061 16.071 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.913 17.733 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.166 17.387 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.513 16.943 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.028 15.262 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.476 14.592 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.323 15.103 -5.183 1.00 0.00 H new ATOM 2079 N ALA A 132 6.072 13.540 -5.298 1.00 0.00 N ATOM 2080 CA ALA A 132 5.352 12.854 -6.373 1.00 0.00 C ATOM 2081 C ALA A 132 5.482 13.596 -7.705 1.00 0.00 C ATOM 2082 O ALA A 132 4.554 13.602 -8.516 1.00 0.00 O ATOM 2083 CB ALA A 132 3.886 12.687 -5.997 1.00 0.00 C ATOM 0 H ALA A 132 6.713 12.943 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 132 5.803 11.870 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.360 12.176 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 132 3.810 12.098 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.438 13.667 -5.835 1.00 0.00 H new ATOM 2089 N GLY A 133 6.638 14.221 -7.925 1.00 0.00 N ATOM 2090 CA GLY A 133 6.867 14.957 -9.156 1.00 0.00 C ATOM 2091 C GLY A 133 8.006 15.951 -9.038 1.00 0.00 C ATOM 2092 O GLY A 133 7.838 17.133 -9.338 1.00 0.00 O ATOM 0 H GLY A 133 7.420 14.230 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 133 7.085 14.254 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 133 5.955 15.486 -9.434 1.00 0.00 H new ATOM 2096 N GLY A 134 9.169 15.468 -8.601 1.00 0.00 N ATOM 2097 CA GLY A 134 10.329 16.331 -8.454 1.00 0.00 C ATOM 2098 C GLY A 134 11.203 16.334 -9.694 1.00 0.00 C ATOM 2099 O GLY A 134 10.719 16.590 -10.799 1.00 0.00 O ATOM 0 H GLY A 134 9.327 14.493 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.998 17.348 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.918 16.002 -7.598 1.00 0.00 H new ATOM 2103 N ALA A 135 12.492 16.047 -9.515 1.00 0.00 N ATOM 2104 CA ALA A 135 13.436 16.015 -10.632 1.00 0.00 C ATOM 2105 C ALA A 135 14.481 14.911 -10.452 1.00 0.00 C ATOM 2106 O ALA A 135 15.576 14.988 -11.014 1.00 0.00 O ATOM 2107 CB ALA A 135 14.114 17.369 -10.780 1.00 0.00 C ATOM 0 H ALA A 135 12.906 15.833 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 135 12.876 15.794 -11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 135 14.815 17.336 -11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.361 18.134 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.652 17.609 -9.863 1.00 0.00 H new ATOM 2113 N ASN A 136 14.135 13.887 -9.668 1.00 0.00 N ATOM 2114 CA ASN A 136 15.037 12.762 -9.407 1.00 0.00 C ATOM 2115 C ASN A 136 16.420 13.243 -8.959 1.00 0.00 C ATOM 2116 O ASN A 136 17.431 12.595 -9.235 1.00 0.00 O ATOM 2117 CB ASN A 136 15.167 11.885 -10.656 1.00 0.00 C ATOM 2118 CG ASN A 136 13.837 11.302 -11.095 1.00 0.00 C ATOM 2119 OD1 ASN A 136 13.457 10.210 -10.674 1.00 0.00 O ATOM 2120 ND2 ASN A 136 13.119 12.029 -11.945 1.00 0.00 N ATOM 0 H ASN A 136 13.231 13.814 -9.200 1.00 0.00 H new ATOM 0 HA ASN A 136 14.606 12.173 -8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 136 15.588 12.476 -11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 136 15.868 11.074 -10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 136 12.216 11.686 -12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 136 13.471 12.930 -12.270 1.00 0.00 H new ATOM 2127 N TYR A 137 16.455 14.379 -8.262 1.00 0.00 N ATOM 2128 CA TYR A 137 17.707 14.939 -7.778 1.00 0.00 C ATOM 2129 C TYR A 137 17.962 14.531 -6.331 1.00 0.00 C ATOM 2130 O TYR A 137 18.998 13.946 -6.016 1.00 0.00 O ATOM 2131 CB TYR A 137 17.685 16.463 -7.892 1.00 0.00 C ATOM 2132 CG TYR A 137 18.963 17.040 -8.449 1.00 0.00 C ATOM 2133 CD1 TYR A 137 20.062 17.261 -7.630 1.00 0.00 C ATOM 2134 CD2 TYR A 137 19.072 17.354 -9.796 1.00 0.00 C ATOM 2135 CE1 TYR A 137 21.236 17.783 -8.139 1.00 0.00 C ATOM 2136 CE2 TYR A 137 20.242 17.874 -10.314 1.00 0.00 C ATOM 2137 CZ TYR A 137 21.320 18.087 -9.482 1.00 0.00 C ATOM 2138 OH TYR A 137 22.488 18.602 -9.996 1.00 0.00 O ATOM 0 H TYR A 137 15.628 14.926 -8.022 1.00 0.00 H new ATOM 0 HA TYR A 137 18.515 14.546 -8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 137 16.852 16.760 -8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 137 17.501 16.891 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 137 19.998 17.021 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 137 18.228 17.189 -10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 137 22.082 17.952 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 137 20.312 18.112 -11.365 1.00 0.00 H new ATOM 0 HH TYR A 137 22.381 18.760 -10.957 1.00 0.00 H new ATOM 2148 N ASP A 138 17.007 14.846 -5.458 1.00 0.00 N ATOM 2149 CA ASP A 138 17.123 14.515 -4.042 1.00 0.00 C ATOM 2150 C ASP A 138 16.773 13.052 -3.793 1.00 0.00 C ATOM 2151 O ASP A 138 15.859 12.505 -4.414 1.00 0.00 O ATOM 2152 CB ASP A 138 16.214 15.415 -3.203 1.00 0.00 C ATOM 2153 CG ASP A 138 16.216 15.038 -1.734 1.00 0.00 C ATOM 2154 OD1 ASP A 138 17.264 15.209 -1.077 1.00 0.00 O ATOM 2155 OD2 ASP A 138 15.169 14.566 -1.241 1.00 0.00 O ATOM 0 H ASP A 138 16.145 15.330 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 138 18.159 14.680 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 138 16.536 16.451 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 138 15.196 15.357 -3.588 1.00 0.00 H new ATOM 2160 N ALA A 139 17.503 12.429 -2.874 1.00 0.00 N ATOM 2161 CA ALA A 139 17.276 11.032 -2.526 1.00 0.00 C ATOM 2162 C ALA A 139 16.780 10.888 -1.089 1.00 0.00 C ATOM 2163 O ALA A 139 15.963 10.015 -0.795 1.00 0.00 O ATOM 2164 CB ALA A 139 18.550 10.224 -2.729 1.00 0.00 C ATOM 0 H ALA A 139 18.261 12.873 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 139 16.500 10.645 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 139 18.366 9.182 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.857 10.285 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 139 19.340 10.625 -2.094 1.00 0.00 H new ATOM 2170 N GLN A 140 17.284 11.746 -0.193 1.00 0.00 N ATOM 2171 CA GLN A 140 16.897 11.713 1.220 1.00 0.00 C ATOM 2172 C GLN A 140 17.381 10.434 1.908 1.00 0.00 C ATOM 2173 O GLN A 140 16.934 10.098 3.007 1.00 0.00 O ATOM 2174 CB GLN A 140 15.379 11.835 1.353 1.00 0.00 C ATOM 2175 CG GLN A 140 14.930 12.899 2.342 1.00 0.00 C ATOM 2176 CD GLN A 140 15.174 12.503 3.788 1.00 0.00 C ATOM 2177 OE1 GLN A 140 14.274 12.008 4.466 1.00 0.00 O ATOM 2178 NE2 GLN A 140 16.394 12.721 4.270 1.00 0.00 N ATOM 0 H GLN A 140 17.962 12.472 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 140 17.374 12.560 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 140 14.956 12.061 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 140 14.973 10.872 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 140 15.458 13.829 2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 140 13.867 13.096 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 140 17.112 13.134 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.612 12.476 5.236 1.00 0.00 H new ATOM 2187 N THR A 141 18.295 9.732 1.252 1.00 0.00 N ATOM 2188 CA THR A 141 18.852 8.488 1.780 1.00 0.00 C ATOM 2189 C THR A 141 20.329 8.356 1.402 1.00 0.00 C ATOM 2190 O THR A 141 20.795 7.275 1.034 1.00 0.00 O ATOM 2191 CB THR A 141 18.058 7.286 1.248 1.00 0.00 C ATOM 2192 OG1 THR A 141 16.666 7.554 1.260 1.00 0.00 O ATOM 2193 CG2 THR A 141 18.282 6.016 2.040 1.00 0.00 C ATOM 0 H THR A 141 18.671 10.004 0.344 1.00 0.00 H new ATOM 0 HA THR A 141 18.776 8.508 2.867 1.00 0.00 H new ATOM 0 HB THR A 141 18.424 7.133 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 141 16.180 6.776 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 141 17.690 5.209 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 141 19.338 5.749 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 141 17.979 6.174 3.075 1.00 0.00 H new ATOM 2201 N GLU A 142 21.062 9.466 1.495 1.00 0.00 N ATOM 2202 CA GLU A 142 22.484 9.480 1.163 1.00 0.00 C ATOM 2203 C GLU A 142 23.340 9.356 2.422 1.00 0.00 C ATOM 2204 O GLU A 142 24.126 8.389 2.506 1.00 0.00 O ATOM 2205 CB GLU A 142 22.844 10.762 0.408 1.00 0.00 C ATOM 2206 CG GLU A 142 22.501 10.717 -1.073 1.00 0.00 C ATOM 2207 CD GLU A 142 23.650 10.209 -1.923 1.00 0.00 C ATOM 2208 OE1 GLU A 142 24.044 9.037 -1.749 1.00 0.00 O ATOM 2209 OE2 GLU A 142 24.158 10.986 -2.760 1.00 0.00 O ATOM 0 H GLU A 142 20.692 10.367 1.798 1.00 0.00 H new ATOM 0 HA GLU A 142 22.689 8.623 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 142 22.323 11.602 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 142 23.912 10.951 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 142 21.633 10.075 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 142 22.220 11.716 -1.408 1.00 0.00 H new TER 2216 GLU A 142