USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 437 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 156 SER OG : rot 19:sc= 0.778 USER MOD Set 1.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 147 CYS SG : rot -75:sc= -0.45 USER MOD Set 2.2: A 150 CYS SG : rot -119:sc= -5.75! USER MOD Set 2.3: A 168 CYS SG : rot 74:sc= -2.88! USER MOD Set 2.4: A 171 CYS SG : rot 118:sc= 0.402 USER MOD Set 3.1: A 120 CYS SG : rot -136:sc= 1.34 USER MOD Set 3.2: A 123 CYS SG : rot 138:sc= 0.451 USER MOD Set 3.3: A 141 HIS : no HE2:sc= -1.22 K(o=-3.1,f=-4.6!) USER MOD Set 3.4: A 144 CYS SG : rot -26:sc= -3.7! USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0317) USER MOD Single : A 125 LYS NZ :NH3+ -163:sc= -0.0421 (180deg=-0.31) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0237) USER MOD Single : A 134 MET CE :methyl 159:sc= -0.097 (180deg=-0.632) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.09) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 169:sc=-0.00241 (180deg=-0.153) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.34) USER MOD Single : A 160 THR OG1 : rot -150:sc= -0.585 USER MOD Single : A 162 LYS NZ :NH3+ 163:sc= -0.0742 (180deg=-0.395) USER MOD Single : A 167 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 169 LYS NZ :NH3+ -164:sc= -0.112 (180deg=-0.437) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0332) USER MOD Single : A 175 ASN : amide:sc= -0.66 X(o=-0.66,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 12.950 3.980 0.575 1.00 0.89 N ATOM 2 CA LYS A 119 13.604 2.708 0.312 1.00 0.80 C ATOM 3 C LYS A 119 12.696 1.539 0.677 1.00 0.78 C ATOM 4 O LYS A 119 12.311 1.376 1.836 1.00 0.90 O ATOM 5 CB LYS A 119 14.936 2.628 1.076 1.00 0.93 C ATOM 6 CG LYS A 119 15.734 1.358 0.801 1.00 1.51 C ATOM 7 CD LYS A 119 17.190 1.495 1.235 1.00 1.54 C ATOM 8 CE LYS A 119 17.332 1.660 2.744 1.00 2.16 C ATOM 9 NZ LYS A 119 16.981 0.419 3.481 1.00 2.76 N ATOM 0 HA LYS A 119 13.812 2.643 -0.756 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.546 3.492 0.813 1.00 0.93 H new ATOM 0 HB3 LYS A 119 14.734 2.694 2.145 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.276 0.520 1.327 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.693 1.127 -0.263 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.747 0.614 0.914 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.637 2.354 0.734 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.357 1.944 2.982 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.690 2.474 3.081 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 17.173 0.551 4.495 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 15.972 0.208 3.344 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 17.552 -0.372 3.121 1.00 2.76 H new ATOM 23 N CYS A 120 12.350 0.748 -0.335 1.00 0.70 N ATOM 24 CA CYS A 120 11.550 -0.455 -0.158 1.00 0.72 C ATOM 25 C CYS A 120 12.259 -1.429 0.771 1.00 0.76 C ATOM 26 O CYS A 120 13.358 -1.902 0.468 1.00 0.80 O ATOM 27 CB CYS A 120 11.297 -1.104 -1.523 1.00 0.67 C ATOM 28 SG CYS A 120 10.596 -2.791 -1.487 1.00 0.74 S ATOM 0 H CYS A 120 12.619 0.926 -1.303 1.00 0.70 H new ATOM 0 HA CYS A 120 10.594 -0.188 0.293 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.621 -0.463 -2.089 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.240 -1.135 -2.069 1.00 0.67 H new ATOM 0 HG CYS A 120 11.216 -3.537 -2.352 1.00 0.74 H new ATOM 33 N PRO A 121 11.639 -1.727 1.922 1.00 0.79 N ATOM 34 CA PRO A 121 12.203 -2.627 2.925 1.00 0.87 C ATOM 35 C PRO A 121 12.042 -4.091 2.540 1.00 0.90 C ATOM 36 O PRO A 121 12.520 -4.983 3.241 1.00 1.00 O ATOM 37 CB PRO A 121 11.392 -2.322 4.195 1.00 0.96 C ATOM 38 CG PRO A 121 10.466 -1.199 3.841 1.00 1.00 C ATOM 39 CD PRO A 121 10.339 -1.207 2.344 1.00 0.82 C ATOM 0 HA PRO A 121 13.275 -2.472 3.044 1.00 0.87 H new ATOM 0 HB2 PRO A 121 10.833 -3.200 4.520 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.049 -2.040 5.018 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.493 -1.335 4.314 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.861 -0.245 4.192 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.519 -1.842 2.009 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.152 -0.209 1.947 1.00 0.82 H new ATOM 47 N ARG A 122 11.367 -4.340 1.427 1.00 0.86 N ATOM 48 CA ARG A 122 11.124 -5.700 0.991 1.00 0.94 C ATOM 49 C ARG A 122 12.227 -6.157 0.046 1.00 0.90 C ATOM 50 O ARG A 122 12.640 -7.315 0.081 1.00 1.05 O ATOM 51 CB ARG A 122 9.753 -5.813 0.322 1.00 0.98 C ATOM 52 CG ARG A 122 9.099 -7.169 0.530 1.00 0.97 C ATOM 53 CD ARG A 122 8.980 -7.487 2.014 1.00 1.11 C ATOM 54 NE ARG A 122 8.324 -8.768 2.264 1.00 1.54 N ATOM 55 CZ ARG A 122 8.975 -9.907 2.501 1.00 1.95 C ATOM 56 NH1 ARG A 122 10.299 -9.950 2.460 1.00 2.03 N ATOM 57 NH2 ARG A 122 8.294 -11.004 2.779 1.00 2.82 N ATOM 0 H ARG A 122 10.982 -3.620 0.815 1.00 0.86 H new ATOM 0 HA ARG A 122 11.129 -6.352 1.865 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.098 -5.036 0.716 1.00 0.98 H new ATOM 0 HB3 ARG A 122 9.860 -5.628 -0.747 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.110 -7.176 0.071 1.00 0.97 H new ATOM 0 HG3 ARG A 122 9.686 -7.942 0.033 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.975 -7.499 2.460 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.419 -6.693 2.508 1.00 1.11 H new ATOM 0 HE ARG A 122 7.304 -8.793 2.257 1.00 1.54 H new ATOM 0 HH11 ARG A 122 10.830 -9.106 2.245 1.00 2.03 H new ATOM 0 HH12 ARG A 122 10.787 -10.827 2.643 1.00 2.03 H new ATOM 0 HH21 ARG A 122 7.275 -10.977 2.812 1.00 2.82 H new ATOM 0 HH22 ARG A 122 8.787 -11.878 2.961 1.00 2.82 H new ATOM 71 N CYS A 123 12.710 -5.244 -0.788 1.00 0.76 N ATOM 72 CA CYS A 123 13.833 -5.550 -1.664 1.00 0.78 C ATOM 73 C CYS A 123 15.133 -4.998 -1.088 1.00 0.76 C ATOM 74 O CYS A 123 16.214 -5.531 -1.333 1.00 0.86 O ATOM 75 CB CYS A 123 13.607 -4.966 -3.054 1.00 0.77 C ATOM 76 SG CYS A 123 12.002 -5.410 -3.788 1.00 0.88 S ATOM 0 H CYS A 123 12.346 -4.295 -0.876 1.00 0.76 H new ATOM 0 HA CYS A 123 13.909 -6.635 -1.740 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.682 -3.880 -2.998 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.404 -5.307 -3.715 1.00 0.77 H new ATOM 0 HG CYS A 123 11.491 -4.369 -4.376 1.00 0.88 H new ATOM 81 N GLY A 124 15.005 -3.929 -0.312 1.00 0.70 N ATOM 82 CA GLY A 124 16.164 -3.256 0.241 1.00 0.73 C ATOM 83 C GLY A 124 16.722 -2.232 -0.722 1.00 0.71 C ATOM 84 O GLY A 124 17.923 -1.962 -0.733 1.00 0.85 O ATOM 0 H GLY A 124 14.110 -3.513 -0.054 1.00 0.70 H new ATOM 0 HA2 GLY A 124 15.890 -2.767 1.176 1.00 0.73 H new ATOM 0 HA3 GLY A 124 16.933 -3.990 0.479 1.00 0.73 H new ATOM 88 N LYS A 125 15.842 -1.644 -1.521 1.00 0.61 N ATOM 89 CA LYS A 125 16.262 -0.742 -2.591 1.00 0.61 C ATOM 90 C LYS A 125 15.420 0.527 -2.600 1.00 0.57 C ATOM 91 O LYS A 125 14.213 0.482 -2.377 1.00 0.60 O ATOM 92 CB LYS A 125 16.159 -1.451 -3.945 1.00 0.63 C ATOM 93 CG LYS A 125 17.093 -2.641 -4.076 1.00 1.30 C ATOM 94 CD LYS A 125 16.957 -3.311 -5.431 1.00 1.71 C ATOM 95 CE LYS A 125 17.983 -4.418 -5.612 1.00 2.44 C ATOM 96 NZ LYS A 125 19.380 -3.904 -5.576 1.00 2.99 N ATOM 0 H LYS A 125 14.833 -1.774 -1.451 1.00 0.61 H new ATOM 0 HA LYS A 125 17.299 -0.460 -2.411 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.133 -1.786 -4.094 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.379 -0.737 -4.738 1.00 0.63 H new ATOM 0 HG2 LYS A 125 18.123 -2.314 -3.933 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.876 -3.363 -3.289 1.00 1.30 H new ATOM 0 HD2 LYS A 125 15.953 -3.723 -5.535 1.00 1.71 H new ATOM 0 HD3 LYS A 125 17.079 -2.568 -6.219 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.852 -5.164 -4.828 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.808 -4.921 -6.563 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 20.022 -4.615 -5.981 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.441 -3.026 -6.130 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 19.654 -3.712 -4.591 1.00 2.99 H new ATOM 110 N SER A 126 16.072 1.651 -2.854 1.00 0.66 N ATOM 111 CA SER A 126 15.409 2.946 -2.849 1.00 0.68 C ATOM 112 C SER A 126 14.557 3.129 -4.101 1.00 0.57 C ATOM 113 O SER A 126 14.994 2.828 -5.213 1.00 0.66 O ATOM 114 CB SER A 126 16.451 4.061 -2.747 1.00 0.89 C ATOM 115 OG SER A 126 17.352 3.814 -1.677 1.00 1.37 O ATOM 0 H SER A 126 17.068 1.692 -3.068 1.00 0.66 H new ATOM 0 HA SER A 126 14.748 2.993 -1.984 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.004 4.135 -3.684 1.00 0.89 H new ATOM 0 HB3 SER A 126 15.952 5.018 -2.595 1.00 0.89 H new ATOM 0 HG SER A 126 18.011 4.538 -1.631 1.00 1.37 H new ATOM 121 N VAL A 127 13.342 3.623 -3.905 1.00 0.52 N ATOM 122 CA VAL A 127 12.398 3.827 -4.995 1.00 0.45 C ATOM 123 C VAL A 127 11.905 5.264 -4.973 1.00 0.58 C ATOM 124 O VAL A 127 11.792 5.862 -3.905 1.00 0.80 O ATOM 125 CB VAL A 127 11.176 2.888 -4.870 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.394 2.835 -6.175 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.607 1.499 -4.438 1.00 0.71 C ATOM 0 H VAL A 127 12.984 3.893 -2.989 1.00 0.52 H new ATOM 0 HA VAL A 127 12.915 3.607 -5.929 1.00 0.45 H new ATOM 0 HB VAL A 127 10.517 3.291 -4.102 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.540 2.168 -6.060 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.042 3.835 -6.429 1.00 0.63 H new ATOM 0 HG13 VAL A 127 11.040 2.464 -6.971 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.731 0.855 -4.356 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.294 1.085 -5.176 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.106 1.557 -3.471 1.00 0.71 H new ATOM 137 N TYR A 128 11.616 5.830 -6.135 1.00 0.60 N ATOM 138 CA TYR A 128 11.110 7.192 -6.170 1.00 0.78 C ATOM 139 C TYR A 128 9.877 7.312 -7.059 1.00 0.58 C ATOM 140 O TYR A 128 9.277 6.306 -7.428 1.00 0.48 O ATOM 141 CB TYR A 128 12.196 8.182 -6.586 1.00 1.14 C ATOM 142 CG TYR A 128 12.203 9.407 -5.700 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.320 9.272 -4.323 1.00 2.80 C ATOM 144 CD2 TYR A 128 12.072 10.684 -6.225 1.00 2.76 C ATOM 145 CE1 TYR A 128 12.311 10.372 -3.494 1.00 3.75 C ATOM 146 CE2 TYR A 128 12.067 11.795 -5.399 1.00 3.69 C ATOM 147 CZ TYR A 128 12.183 11.632 -4.032 1.00 4.06 C ATOM 148 OH TYR A 128 12.174 12.727 -3.197 1.00 5.08 O ATOM 0 H TYR A 128 11.720 5.380 -7.045 1.00 0.60 H new ATOM 0 HA TYR A 128 10.804 7.448 -5.156 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.170 7.694 -6.541 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.038 8.483 -7.622 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.420 8.286 -3.894 1.00 2.80 H new ATOM 0 HD2 TYR A 128 11.973 10.813 -7.293 1.00 2.76 H new ATOM 0 HE1 TYR A 128 12.404 10.246 -2.425 1.00 3.75 H new ATOM 0 HE2 TYR A 128 11.973 12.785 -5.821 1.00 3.69 H new ATOM 0 HH TYR A 128 12.078 13.544 -3.730 1.00 5.08 H new ATOM 158 N ALA A 129 9.537 8.554 -7.406 1.00 0.69 N ATOM 159 CA ALA A 129 8.247 8.917 -8.004 1.00 0.74 C ATOM 160 C ALA A 129 7.779 7.981 -9.118 1.00 0.75 C ATOM 161 O ALA A 129 6.586 7.696 -9.218 1.00 0.87 O ATOM 162 CB ALA A 129 8.318 10.341 -8.523 1.00 0.95 C ATOM 0 H ALA A 129 10.160 9.352 -7.278 1.00 0.69 H new ATOM 0 HA ALA A 129 7.506 8.823 -7.210 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.361 10.614 -8.968 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.541 11.018 -7.698 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.103 10.415 -9.276 1.00 0.95 H new ATOM 168 N ALA A 130 8.703 7.516 -9.950 1.00 0.80 N ATOM 169 CA ALA A 130 8.356 6.660 -11.081 1.00 1.00 C ATOM 170 C ALA A 130 7.572 5.425 -10.645 1.00 0.91 C ATOM 171 O ALA A 130 6.503 5.140 -11.186 1.00 1.16 O ATOM 172 CB ALA A 130 9.610 6.247 -11.833 1.00 1.21 C ATOM 0 H ALA A 130 9.699 7.717 -9.864 1.00 0.80 H new ATOM 0 HA ALA A 130 7.713 7.239 -11.743 1.00 1.00 H new ATOM 0 HB1 ALA A 130 9.337 5.609 -12.674 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.122 7.136 -12.203 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.273 5.700 -11.163 1.00 1.21 H new ATOM 178 N GLU A 131 8.088 4.711 -9.651 1.00 0.68 N ATOM 179 CA GLU A 131 7.471 3.464 -9.212 1.00 0.65 C ATOM 180 C GLU A 131 6.925 3.594 -7.792 1.00 0.46 C ATOM 181 O GLU A 131 6.474 2.611 -7.206 1.00 0.50 O ATOM 182 CB GLU A 131 8.488 2.316 -9.255 1.00 0.87 C ATOM 183 CG GLU A 131 9.291 2.232 -10.546 1.00 1.41 C ATOM 184 CD GLU A 131 8.422 2.131 -11.779 1.00 1.70 C ATOM 185 OE1 GLU A 131 7.649 1.160 -11.895 1.00 1.99 O ATOM 186 OE2 GLU A 131 8.505 3.027 -12.642 1.00 2.44 O ATOM 0 H GLU A 131 8.928 4.972 -9.136 1.00 0.68 H new ATOM 0 HA GLU A 131 6.647 3.247 -9.892 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.179 2.428 -8.419 1.00 0.87 H new ATOM 0 HB3 GLU A 131 7.960 1.374 -9.108 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.928 3.113 -10.629 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.950 1.365 -10.501 1.00 1.41 H new ATOM 193 N LYS A 132 6.969 4.811 -7.252 1.00 0.44 N ATOM 194 CA LYS A 132 6.596 5.062 -5.860 1.00 0.42 C ATOM 195 C LYS A 132 5.146 4.686 -5.576 1.00 0.44 C ATOM 196 O LYS A 132 4.211 5.391 -5.969 1.00 0.58 O ATOM 197 CB LYS A 132 6.848 6.533 -5.483 1.00 0.55 C ATOM 198 CG LYS A 132 6.263 6.948 -4.140 1.00 0.65 C ATOM 199 CD LYS A 132 6.631 8.384 -3.788 1.00 1.05 C ATOM 200 CE LYS A 132 6.063 9.381 -4.789 1.00 1.58 C ATOM 201 NZ LYS A 132 4.580 9.477 -4.715 1.00 2.18 N ATOM 0 H LYS A 132 7.262 5.645 -7.762 1.00 0.44 H new ATOM 0 HA LYS A 132 7.228 4.424 -5.242 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.923 6.712 -5.468 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.429 7.171 -6.261 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.178 6.846 -4.168 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.626 6.277 -3.361 1.00 0.65 H new ATOM 0 HD2 LYS A 132 6.259 8.619 -2.791 1.00 1.05 H new ATOM 0 HD3 LYS A 132 7.716 8.482 -3.755 1.00 1.05 H new ATOM 0 HE2 LYS A 132 6.498 10.364 -4.605 1.00 1.58 H new ATOM 0 HE3 LYS A 132 6.355 9.086 -5.797 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 4.247 10.216 -5.367 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 4.159 8.564 -4.982 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 4.296 9.718 -3.744 1.00 2.18 H new ATOM 215 N VAL A 133 4.979 3.543 -4.932 1.00 0.39 N ATOM 216 CA VAL A 133 3.718 3.170 -4.318 1.00 0.44 C ATOM 217 C VAL A 133 3.907 3.141 -2.805 1.00 0.44 C ATOM 218 O VAL A 133 4.778 2.438 -2.296 1.00 0.50 O ATOM 219 CB VAL A 133 3.194 1.805 -4.827 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.647 1.937 -6.239 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.290 0.752 -4.785 1.00 0.88 C ATOM 0 H VAL A 133 5.716 2.847 -4.821 1.00 0.39 H new ATOM 0 HA VAL A 133 2.966 3.909 -4.594 1.00 0.44 H new ATOM 0 HB VAL A 133 2.387 1.487 -4.167 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.283 0.968 -6.580 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.827 2.655 -6.246 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.438 2.283 -6.905 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.896 -0.198 -5.148 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.120 1.066 -5.418 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.640 0.632 -3.760 1.00 0.88 H new ATOM 231 N MET A 134 3.122 3.932 -2.093 1.00 0.54 N ATOM 232 CA MET A 134 3.359 4.153 -0.670 1.00 0.60 C ATOM 233 C MET A 134 2.902 2.977 0.187 1.00 0.57 C ATOM 234 O MET A 134 1.765 2.942 0.659 1.00 0.75 O ATOM 235 CB MET A 134 2.661 5.433 -0.202 1.00 0.83 C ATOM 236 CG MET A 134 3.169 6.693 -0.888 1.00 1.14 C ATOM 237 SD MET A 134 2.393 8.192 -0.249 1.00 1.65 S ATOM 238 CE MET A 134 2.988 8.200 1.441 1.00 1.78 C ATOM 0 H MET A 134 2.317 4.432 -2.472 1.00 0.54 H new ATOM 0 HA MET A 134 4.437 4.255 -0.544 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.590 5.339 -0.382 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.796 5.537 0.875 1.00 0.83 H new ATOM 0 HG2 MET A 134 4.249 6.763 -0.757 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.982 6.620 -1.959 1.00 1.14 H new ATOM 0 HE1 MET A 134 2.919 9.209 1.846 1.00 1.78 H new ATOM 0 HE2 MET A 134 2.381 7.524 2.044 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.027 7.871 1.463 1.00 1.78 H new ATOM 248 N GLY A 135 3.796 2.018 0.383 1.00 0.50 N ATOM 249 CA GLY A 135 3.544 0.944 1.322 1.00 0.61 C ATOM 250 C GLY A 135 4.141 1.258 2.677 1.00 0.70 C ATOM 251 O GLY A 135 5.355 1.429 2.801 1.00 0.77 O ATOM 0 H GLY A 135 4.696 1.965 -0.094 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.470 0.787 1.421 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.968 0.015 0.940 1.00 0.61 H new ATOM 255 N GLY A 136 3.291 1.373 3.688 1.00 0.85 N ATOM 256 CA GLY A 136 3.761 1.747 5.012 1.00 1.03 C ATOM 257 C GLY A 136 4.317 3.161 5.056 1.00 1.08 C ATOM 258 O GLY A 136 5.059 3.517 5.968 1.00 1.72 O ATOM 0 H GLY A 136 2.286 1.215 3.618 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.939 1.661 5.723 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.533 1.047 5.331 1.00 1.03 H new ATOM 262 N GLY A 137 3.967 3.965 4.056 1.00 0.94 N ATOM 263 CA GLY A 137 4.456 5.330 3.988 1.00 0.98 C ATOM 264 C GLY A 137 5.798 5.428 3.289 1.00 0.87 C ATOM 265 O GLY A 137 6.462 6.462 3.348 1.00 1.04 O ATOM 0 H GLY A 137 3.351 3.694 3.289 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.729 5.948 3.461 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.545 5.732 4.997 1.00 0.98 H new ATOM 269 N LYS A 138 6.197 4.347 2.635 1.00 0.71 N ATOM 270 CA LYS A 138 7.464 4.297 1.918 1.00 0.71 C ATOM 271 C LYS A 138 7.223 3.897 0.464 1.00 0.53 C ATOM 272 O LYS A 138 6.418 3.009 0.193 1.00 0.52 O ATOM 273 CB LYS A 138 8.397 3.276 2.583 1.00 0.92 C ATOM 274 CG LYS A 138 8.696 3.565 4.050 1.00 1.15 C ATOM 275 CD LYS A 138 9.213 2.324 4.772 1.00 1.46 C ATOM 276 CE LYS A 138 9.398 2.572 6.262 1.00 2.11 C ATOM 277 NZ LYS A 138 10.700 3.217 6.573 1.00 2.69 N ATOM 0 H LYS A 138 5.656 3.484 2.586 1.00 0.71 H new ATOM 0 HA LYS A 138 7.927 5.283 1.947 1.00 0.71 H new ATOM 0 HB2 LYS A 138 7.949 2.286 2.503 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.337 3.246 2.031 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.435 4.363 4.121 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.792 3.923 4.543 1.00 1.15 H new ATOM 0 HD2 LYS A 138 8.514 1.500 4.625 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.163 2.018 4.334 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.587 3.203 6.626 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.328 1.625 6.796 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 10.778 3.365 7.600 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 11.476 2.604 6.251 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 10.758 4.134 6.086 1.00 2.69 H new ATOM 291 N PRO A 139 7.863 4.586 -0.497 1.00 0.51 N ATOM 292 CA PRO A 139 7.864 4.175 -1.904 1.00 0.46 C ATOM 293 C PRO A 139 8.398 2.760 -2.110 1.00 0.39 C ATOM 294 O PRO A 139 9.604 2.520 -2.041 1.00 0.51 O ATOM 295 CB PRO A 139 8.796 5.189 -2.584 1.00 0.60 C ATOM 296 CG PRO A 139 9.531 5.851 -1.473 1.00 0.72 C ATOM 297 CD PRO A 139 8.585 5.850 -0.313 1.00 0.63 C ATOM 0 HA PRO A 139 6.852 4.161 -2.309 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.483 4.694 -3.270 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.229 5.914 -3.168 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.448 5.312 -1.233 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.820 6.867 -1.743 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.112 5.882 0.641 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.914 6.708 -0.335 1.00 0.63 H new ATOM 305 N TRP A 140 7.488 1.827 -2.341 1.00 0.34 N ATOM 306 CA TRP A 140 7.848 0.467 -2.709 1.00 0.33 C ATOM 307 C TRP A 140 7.946 0.362 -4.223 1.00 0.31 C ATOM 308 O TRP A 140 7.776 1.353 -4.934 1.00 0.38 O ATOM 309 CB TRP A 140 6.795 -0.521 -2.199 1.00 0.40 C ATOM 310 CG TRP A 140 6.859 -0.798 -0.726 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.037 0.101 0.281 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.726 -2.077 -0.095 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.030 -0.539 1.496 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.841 -1.878 1.291 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.524 -3.370 -0.576 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.759 -2.926 2.203 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.442 -4.411 0.329 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.559 -4.184 1.705 1.00 0.78 C ATOM 0 H TRP A 140 6.483 1.990 -2.279 1.00 0.34 H new ATOM 0 HA TRP A 140 8.809 0.223 -2.257 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.805 -0.133 -2.440 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.908 -1.462 -2.737 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.165 1.165 0.144 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.147 -0.089 2.404 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.433 -3.555 -1.636 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.850 -2.752 3.265 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.285 -5.417 -0.032 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.490 -5.019 2.387 1.00 0.78 H new ATOM 329 N HIS A 141 8.203 -0.839 -4.710 1.00 0.34 N ATOM 330 CA HIS A 141 8.233 -1.096 -6.142 1.00 0.34 C ATOM 331 C HIS A 141 6.887 -1.664 -6.556 1.00 0.40 C ATOM 332 O HIS A 141 6.405 -2.590 -5.930 1.00 0.51 O ATOM 333 CB HIS A 141 9.314 -2.126 -6.497 1.00 0.42 C ATOM 334 CG HIS A 141 10.716 -1.749 -6.129 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.272 -2.073 -4.911 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.663 -1.134 -6.879 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.525 -1.677 -4.946 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.816 -1.096 -6.125 1.00 0.72 N ATOM 0 H HIS A 141 8.395 -1.657 -4.132 1.00 0.34 H new ATOM 0 HA HIS A 141 8.451 -0.161 -6.659 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.069 -3.067 -6.004 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.277 -2.309 -7.571 1.00 0.42 H new ATOM 0 HD1 HIS A 141 10.801 -2.532 -4.131 1.00 0.68 H new ATOM 0 HD2 HIS A 141 11.538 -0.747 -7.879 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.228 -1.801 -4.136 1.00 0.71 H new ATOM 346 N LYS A 142 6.278 -1.131 -7.609 1.00 0.49 N ATOM 347 CA LYS A 142 5.011 -1.682 -8.089 1.00 0.65 C ATOM 348 C LYS A 142 5.226 -3.092 -8.642 1.00 0.71 C ATOM 349 O LYS A 142 4.279 -3.854 -8.832 1.00 0.89 O ATOM 350 CB LYS A 142 4.376 -0.785 -9.155 1.00 0.85 C ATOM 351 CG LYS A 142 5.112 -0.771 -10.488 1.00 1.52 C ATOM 352 CD LYS A 142 4.274 -0.100 -11.564 1.00 1.88 C ATOM 353 CE LYS A 142 2.956 -0.831 -11.772 1.00 2.60 C ATOM 354 NZ LYS A 142 2.051 -0.093 -12.690 1.00 3.19 N ATOM 0 H LYS A 142 6.630 -0.334 -8.139 1.00 0.49 H new ATOM 0 HA LYS A 142 4.325 -1.729 -7.243 1.00 0.65 H new ATOM 0 HB2 LYS A 142 3.350 -1.113 -9.324 1.00 0.85 H new ATOM 0 HB3 LYS A 142 4.326 0.234 -8.771 1.00 0.85 H new ATOM 0 HG2 LYS A 142 6.060 -0.244 -10.379 1.00 1.52 H new ATOM 0 HG3 LYS A 142 5.347 -1.792 -10.789 1.00 1.52 H new ATOM 0 HD2 LYS A 142 4.078 0.935 -11.283 1.00 1.88 H new ATOM 0 HD3 LYS A 142 4.831 -0.076 -12.500 1.00 1.88 H new ATOM 0 HE2 LYS A 142 3.152 -1.824 -12.176 1.00 2.60 H new ATOM 0 HE3 LYS A 142 2.462 -0.970 -10.810 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 1.088 -0.477 -12.611 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 2.044 0.915 -12.435 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 2.387 -0.200 -13.669 1.00 3.19 H new ATOM 368 N THR A 143 6.487 -3.413 -8.910 1.00 0.69 N ATOM 369 CA THR A 143 6.873 -4.729 -9.386 1.00 0.84 C ATOM 370 C THR A 143 6.884 -5.751 -8.246 1.00 0.84 C ATOM 371 O THR A 143 6.541 -6.916 -8.444 1.00 1.10 O ATOM 372 CB THR A 143 8.269 -4.668 -10.035 1.00 0.95 C ATOM 373 OG1 THR A 143 8.285 -3.636 -11.030 1.00 1.38 O ATOM 374 CG2 THR A 143 8.649 -5.995 -10.674 1.00 1.47 C ATOM 0 H THR A 143 7.268 -2.766 -8.802 1.00 0.69 H new ATOM 0 HA THR A 143 6.138 -5.045 -10.126 1.00 0.84 H new ATOM 0 HB THR A 143 8.997 -4.451 -9.253 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.173 -3.594 -11.443 1.00 1.38 H new ATOM 0 HG21 THR A 143 9.640 -5.913 -11.121 1.00 1.47 H new ATOM 0 HG22 THR A 143 8.658 -6.776 -9.913 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.922 -6.248 -11.446 1.00 1.47 H new ATOM 382 N CYS A 144 7.268 -5.307 -7.053 1.00 0.68 N ATOM 383 CA CYS A 144 7.337 -6.189 -5.897 1.00 0.76 C ATOM 384 C CYS A 144 6.099 -6.011 -5.038 1.00 0.81 C ATOM 385 O CYS A 144 5.875 -6.762 -4.084 1.00 0.96 O ATOM 386 CB CYS A 144 8.568 -5.866 -5.064 1.00 0.73 C ATOM 387 SG CYS A 144 8.481 -4.235 -4.261 1.00 1.14 S ATOM 0 H CYS A 144 7.536 -4.341 -6.863 1.00 0.68 H new ATOM 0 HA CYS A 144 7.396 -7.219 -6.249 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.694 -6.634 -4.300 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.451 -5.903 -5.702 1.00 0.73 H new ATOM 0 HG CYS A 144 7.699 -3.455 -4.947 1.00 1.14 H new ATOM 392 N PHE A 145 5.320 -4.987 -5.378 1.00 0.80 N ATOM 393 CA PHE A 145 4.098 -4.650 -4.665 1.00 0.86 C ATOM 394 C PHE A 145 3.043 -5.700 -4.949 1.00 0.79 C ATOM 395 O PHE A 145 2.014 -5.438 -5.566 1.00 0.81 O ATOM 396 CB PHE A 145 3.605 -3.268 -5.095 1.00 0.94 C ATOM 397 CG PHE A 145 2.950 -2.493 -3.992 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.591 -2.308 -2.783 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.683 -1.968 -4.167 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.979 -1.606 -1.763 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.064 -1.269 -3.153 1.00 1.13 C ATOM 402 CZ PHE A 145 1.762 -1.034 -1.954 1.00 1.13 C ATOM 0 H PHE A 145 5.523 -4.366 -6.161 1.00 0.80 H new ATOM 0 HA PHE A 145 4.297 -4.627 -3.594 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.448 -2.694 -5.479 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.897 -3.383 -5.916 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.580 -2.716 -2.634 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.173 -2.107 -5.109 1.00 1.05 H new ATOM 0 HE1 PHE A 145 3.472 -1.511 -0.807 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.055 -0.906 -3.277 1.00 1.13 H new ATOM 0 HZ PHE A 145 1.333 -0.403 -1.190 1.00 1.13 H new ATOM 412 N ARG A 146 3.344 -6.896 -4.511 1.00 0.76 N ATOM 413 CA ARG A 146 2.517 -8.049 -4.741 1.00 0.69 C ATOM 414 C ARG A 146 2.382 -8.797 -3.439 1.00 0.66 C ATOM 415 O ARG A 146 3.385 -9.106 -2.794 1.00 0.95 O ATOM 416 CB ARG A 146 3.146 -8.957 -5.803 1.00 0.77 C ATOM 417 CG ARG A 146 3.432 -8.259 -7.122 1.00 1.08 C ATOM 418 CD ARG A 146 4.146 -9.177 -8.095 1.00 1.13 C ATOM 419 NE ARG A 146 3.349 -10.356 -8.437 1.00 1.61 N ATOM 420 CZ ARG A 146 3.569 -11.119 -9.506 1.00 1.86 C ATOM 421 NH1 ARG A 146 4.575 -10.848 -10.328 1.00 1.73 N ATOM 422 NH2 ARG A 146 2.782 -12.156 -9.746 1.00 2.78 N ATOM 0 H ARG A 146 4.188 -7.098 -3.974 1.00 0.76 H new ATOM 0 HA ARG A 146 1.537 -7.736 -5.102 1.00 0.69 H new ATOM 0 HB2 ARG A 146 4.077 -9.366 -5.411 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.480 -9.800 -5.987 1.00 0.77 H new ATOM 0 HG2 ARG A 146 2.496 -7.917 -7.564 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.042 -7.374 -6.941 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.382 -8.625 -9.005 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.094 -9.496 -7.661 1.00 1.13 H new ATOM 0 HE ARG A 146 2.578 -10.609 -7.819 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.185 -10.052 -10.143 1.00 1.73 H new ATOM 0 HH12 ARG A 146 4.738 -11.436 -11.145 1.00 1.73 H new ATOM 0 HH21 ARG A 146 2.011 -12.368 -9.113 1.00 2.78 H new ATOM 0 HH22 ARG A 146 2.947 -12.743 -10.564 1.00 2.78 H new ATOM 436 N CYS A 147 1.167 -9.073 -3.035 1.00 0.42 N ATOM 437 CA CYS A 147 0.973 -9.772 -1.792 1.00 0.43 C ATOM 438 C CYS A 147 1.127 -11.263 -2.013 1.00 0.52 C ATOM 439 O CYS A 147 0.713 -11.805 -3.052 1.00 0.53 O ATOM 440 CB CYS A 147 -0.371 -9.439 -1.172 1.00 0.43 C ATOM 441 SG CYS A 147 -1.464 -10.864 -0.930 1.00 0.68 S ATOM 0 H CYS A 147 0.314 -8.830 -3.538 1.00 0.42 H new ATOM 0 HA CYS A 147 1.736 -9.444 -1.086 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.203 -8.959 -0.208 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.879 -8.712 -1.806 1.00 0.43 H new ATOM 0 HG CYS A 147 -1.961 -11.229 -2.074 1.00 0.68 H new ATOM 446 N ALA A 148 1.746 -11.897 -1.026 1.00 0.67 N ATOM 447 CA ALA A 148 2.133 -13.293 -1.094 1.00 0.82 C ATOM 448 C ALA A 148 0.946 -14.238 -0.962 1.00 0.84 C ATOM 449 O ALA A 148 1.035 -15.402 -1.347 1.00 0.98 O ATOM 450 CB ALA A 148 3.149 -13.582 -0.004 1.00 1.02 C ATOM 0 H ALA A 148 1.995 -11.447 -0.145 1.00 0.67 H new ATOM 0 HA ALA A 148 2.568 -13.468 -2.078 1.00 0.82 H new ATOM 0 HB1 ALA A 148 3.444 -14.630 -0.050 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.026 -12.952 -0.148 1.00 1.02 H new ATOM 0 HB3 ALA A 148 2.707 -13.372 0.970 1.00 1.02 H new ATOM 456 N ILE A 149 -0.164 -13.745 -0.425 1.00 0.76 N ATOM 457 CA ILE A 149 -1.325 -14.594 -0.191 1.00 0.84 C ATOM 458 C ILE A 149 -1.919 -15.060 -1.514 1.00 0.85 C ATOM 459 O ILE A 149 -2.437 -16.175 -1.617 1.00 1.00 O ATOM 460 CB ILE A 149 -2.409 -13.877 0.654 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.882 -13.601 2.065 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.691 -14.702 0.719 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.877 -12.892 2.962 1.00 1.02 C ATOM 0 H ILE A 149 -0.284 -12.771 -0.146 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.982 -15.460 0.376 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.643 -12.928 0.171 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.599 -14.546 2.528 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.977 -12.997 1.993 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.433 -14.174 1.318 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -4.078 -14.852 -0.289 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.478 -15.669 1.174 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.432 -12.731 3.944 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.142 -11.931 2.522 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.773 -13.503 3.066 1.00 1.02 H new ATOM 475 N CYS A 150 -1.811 -14.223 -2.535 1.00 0.73 N ATOM 476 CA CYS A 150 -2.376 -14.541 -3.819 1.00 0.79 C ATOM 477 C CYS A 150 -1.296 -14.516 -4.903 1.00 0.75 C ATOM 478 O CYS A 150 -1.353 -15.268 -5.876 1.00 0.87 O ATOM 479 CB CYS A 150 -3.467 -13.529 -4.133 1.00 0.78 C ATOM 480 SG CYS A 150 -2.833 -11.832 -4.272 1.00 0.82 S ATOM 0 H CYS A 150 -1.336 -13.321 -2.490 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.800 -15.545 -3.794 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.956 -13.807 -5.066 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -4.226 -13.566 -3.352 1.00 0.78 H new ATOM 0 HG CYS A 150 -3.404 -11.081 -3.378 1.00 0.82 H new ATOM 485 N GLY A 151 -0.304 -13.655 -4.706 1.00 0.66 N ATOM 486 CA GLY A 151 0.731 -13.450 -5.697 1.00 0.70 C ATOM 487 C GLY A 151 0.349 -12.342 -6.657 1.00 0.66 C ATOM 488 O GLY A 151 0.788 -12.327 -7.806 1.00 0.76 O ATOM 0 H GLY A 151 -0.200 -13.089 -3.864 1.00 0.66 H new ATOM 0 HA2 GLY A 151 1.669 -13.200 -5.202 1.00 0.70 H new ATOM 0 HA3 GLY A 151 0.898 -14.374 -6.250 1.00 0.70 H new ATOM 492 N LYS A 152 -0.452 -11.398 -6.173 1.00 0.58 N ATOM 493 CA LYS A 152 -1.070 -10.402 -7.056 1.00 0.64 C ATOM 494 C LYS A 152 -0.352 -9.064 -7.017 1.00 0.56 C ATOM 495 O LYS A 152 -0.004 -8.570 -5.945 1.00 0.50 O ATOM 496 CB LYS A 152 -2.539 -10.188 -6.688 1.00 0.80 C ATOM 497 CG LYS A 152 -3.251 -9.112 -7.491 1.00 0.89 C ATOM 498 CD LYS A 152 -4.632 -8.828 -6.920 1.00 1.39 C ATOM 499 CE LYS A 152 -5.366 -7.758 -7.710 1.00 1.75 C ATOM 500 NZ LYS A 152 -5.627 -8.185 -9.112 1.00 2.37 N ATOM 0 H LYS A 152 -0.690 -11.298 -5.186 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.992 -10.801 -8.068 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -3.072 -11.130 -6.818 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.600 -9.931 -5.630 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.657 -8.198 -7.487 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -3.342 -9.429 -8.530 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -5.220 -9.746 -6.920 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.537 -8.511 -5.882 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -6.311 -7.528 -7.218 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.777 -6.841 -7.713 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -6.285 -7.517 -9.562 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -4.733 -8.200 -9.642 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -6.046 -9.137 -9.113 1.00 2.37 H new ATOM 514 N SER A 153 -0.155 -8.484 -8.199 1.00 0.67 N ATOM 515 CA SER A 153 0.411 -7.155 -8.329 1.00 0.73 C ATOM 516 C SER A 153 -0.619 -6.098 -7.931 1.00 0.76 C ATOM 517 O SER A 153 -1.700 -6.011 -8.522 1.00 0.94 O ATOM 518 CB SER A 153 0.868 -6.922 -9.770 1.00 0.91 C ATOM 519 OG SER A 153 1.801 -7.909 -10.179 1.00 1.46 O ATOM 0 H SER A 153 -0.385 -8.926 -9.089 1.00 0.67 H new ATOM 0 HA SER A 153 1.271 -7.074 -7.664 1.00 0.73 H new ATOM 0 HB2 SER A 153 0.004 -6.937 -10.435 1.00 0.91 H new ATOM 0 HB3 SER A 153 1.319 -5.934 -9.856 1.00 0.91 H new ATOM 0 HG SER A 153 2.075 -7.737 -11.104 1.00 1.46 H new ATOM 525 N LEU A 154 -0.280 -5.306 -6.929 1.00 0.71 N ATOM 526 CA LEU A 154 -1.174 -4.277 -6.427 1.00 0.76 C ATOM 527 C LEU A 154 -0.961 -2.956 -7.144 1.00 0.92 C ATOM 528 O LEU A 154 0.036 -2.268 -6.924 1.00 1.13 O ATOM 529 CB LEU A 154 -0.976 -4.084 -4.925 1.00 0.70 C ATOM 530 CG LEU A 154 -1.513 -5.214 -4.058 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.117 -5.010 -2.607 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.023 -5.295 -4.191 1.00 0.86 C ATOM 0 H LEU A 154 0.616 -5.357 -6.443 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.194 -4.609 -6.618 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.089 -3.967 -4.726 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.460 -3.154 -4.626 1.00 0.70 H new ATOM 0 HG LEU A 154 -1.078 -6.154 -4.399 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.511 -5.828 -2.004 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.030 -4.989 -2.526 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -1.526 -4.065 -2.248 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.400 -6.106 -3.568 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.468 -4.353 -3.869 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.287 -5.484 -5.231 1.00 0.86 H new ATOM 544 N GLU A 155 -1.910 -2.596 -7.993 1.00 1.24 N ATOM 545 CA GLU A 155 -1.883 -1.313 -8.674 1.00 1.53 C ATOM 546 C GLU A 155 -2.497 -0.253 -7.760 1.00 1.73 C ATOM 547 O GLU A 155 -3.485 0.399 -8.108 1.00 2.45 O ATOM 548 CB GLU A 155 -2.642 -1.403 -10.005 1.00 1.96 C ATOM 549 CG GLU A 155 -2.452 -0.197 -10.912 1.00 2.39 C ATOM 550 CD GLU A 155 -1.002 0.030 -11.283 1.00 3.01 C ATOM 551 OE1 GLU A 155 -0.481 -0.714 -12.140 1.00 3.54 O ATOM 552 OE2 GLU A 155 -0.372 0.947 -10.713 1.00 3.46 O ATOM 0 H GLU A 155 -2.713 -3.179 -8.228 1.00 1.24 H new ATOM 0 HA GLU A 155 -0.854 -1.034 -8.899 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -2.318 -2.298 -10.536 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -3.705 -1.524 -9.797 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.038 -0.334 -11.821 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -2.839 0.692 -10.414 1.00 2.39 H new ATOM 559 N SER A 156 -1.896 -0.111 -6.575 1.00 1.83 N ATOM 560 CA SER A 156 -2.373 0.793 -5.522 1.00 2.22 C ATOM 561 C SER A 156 -3.868 0.579 -5.227 1.00 1.96 C ATOM 562 O SER A 156 -4.416 -0.491 -5.513 1.00 2.65 O ATOM 563 CB SER A 156 -2.070 2.260 -5.877 1.00 3.04 C ATOM 564 OG SER A 156 -2.576 2.622 -7.152 1.00 3.58 O ATOM 0 H SER A 156 -1.055 -0.626 -6.316 1.00 1.83 H new ATOM 0 HA SER A 156 -1.830 0.554 -4.608 1.00 2.22 H new ATOM 0 HB2 SER A 156 -2.503 2.912 -5.118 1.00 3.04 H new ATOM 0 HB3 SER A 156 -0.992 2.421 -5.858 1.00 3.04 H new ATOM 0 HG SER A 156 -3.270 1.985 -7.421 1.00 3.58 H new ATOM 570 N THR A 157 -4.501 1.581 -4.616 1.00 1.62 N ATOM 571 CA THR A 157 -5.934 1.555 -4.330 1.00 1.69 C ATOM 572 C THR A 157 -6.280 0.613 -3.170 1.00 1.51 C ATOM 573 O THR A 157 -6.606 1.071 -2.078 1.00 2.11 O ATOM 574 CB THR A 157 -6.744 1.181 -5.589 1.00 2.15 C ATOM 575 OG1 THR A 157 -6.415 2.090 -6.647 1.00 2.66 O ATOM 576 CG2 THR A 157 -8.242 1.230 -5.320 1.00 2.67 C ATOM 0 H THR A 157 -4.034 2.433 -4.306 1.00 1.62 H new ATOM 0 HA THR A 157 -6.211 2.564 -4.023 1.00 1.69 H new ATOM 0 HB THR A 157 -6.487 0.161 -5.874 1.00 2.15 H new ATOM 0 HG1 THR A 157 -6.926 1.856 -7.450 1.00 2.66 H new ATOM 0 HG21 THR A 157 -8.784 0.961 -6.227 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.492 0.526 -4.526 1.00 2.67 H new ATOM 0 HG23 THR A 157 -8.524 2.237 -5.014 1.00 2.67 H new ATOM 584 N ASN A 158 -6.188 -0.692 -3.395 1.00 1.17 N ATOM 585 CA ASN A 158 -6.598 -1.670 -2.387 1.00 1.14 C ATOM 586 C ASN A 158 -5.396 -2.235 -1.630 1.00 0.94 C ATOM 587 O ASN A 158 -5.094 -3.428 -1.701 1.00 1.16 O ATOM 588 CB ASN A 158 -7.424 -2.791 -3.035 1.00 1.38 C ATOM 589 CG ASN A 158 -6.753 -3.410 -4.255 1.00 1.61 C ATOM 590 OD1 ASN A 158 -6.874 -2.904 -5.370 1.00 2.30 O ATOM 591 ND2 ASN A 158 -6.053 -4.515 -4.059 1.00 2.09 N ATOM 0 H ASN A 158 -5.835 -1.099 -4.261 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.225 -1.159 -1.657 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -7.607 -3.571 -2.296 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -8.396 -2.394 -3.327 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -5.593 -4.974 -4.846 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.973 -4.908 -3.121 1.00 2.09 H new ATOM 598 N VAL A 159 -4.732 -1.367 -0.876 1.00 0.79 N ATOM 599 CA VAL A 159 -3.509 -1.731 -0.170 1.00 0.72 C ATOM 600 C VAL A 159 -3.749 -1.832 1.337 1.00 0.69 C ATOM 601 O VAL A 159 -4.498 -1.036 1.912 1.00 0.83 O ATOM 602 CB VAL A 159 -2.401 -0.689 -0.438 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.104 -1.070 0.260 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.178 -0.522 -1.933 1.00 1.59 C ATOM 0 H VAL A 159 -5.023 -0.399 -0.737 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.193 -2.706 -0.542 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.731 0.265 -0.027 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.344 -0.317 0.052 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.273 -1.128 1.335 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -0.765 -2.039 -0.106 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.394 0.216 -2.104 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.878 -1.477 -2.365 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -3.102 -0.185 -2.403 1.00 1.59 H new ATOM 614 N THR A 160 -3.140 -2.827 1.972 1.00 0.62 N ATOM 615 CA THR A 160 -3.220 -2.971 3.419 1.00 0.67 C ATOM 616 C THR A 160 -1.899 -3.517 3.980 1.00 0.70 C ATOM 617 O THR A 160 -1.298 -4.426 3.404 1.00 0.81 O ATOM 618 CB THR A 160 -4.380 -3.902 3.823 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.565 -3.557 3.089 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.664 -3.795 5.314 1.00 1.08 C ATOM 0 H THR A 160 -2.586 -3.546 1.507 1.00 0.62 H new ATOM 0 HA THR A 160 -3.407 -1.983 3.839 1.00 0.67 H new ATOM 0 HB THR A 160 -4.090 -4.927 3.591 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.356 -3.769 3.627 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.486 -4.461 5.576 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.774 -4.079 5.875 1.00 1.08 H new ATOM 0 HG23 THR A 160 -4.936 -2.768 5.560 1.00 1.08 H new ATOM 628 N ASP A 161 -1.452 -2.958 5.097 1.00 0.82 N ATOM 629 CA ASP A 161 -0.185 -3.357 5.704 1.00 0.93 C ATOM 630 C ASP A 161 -0.403 -4.433 6.759 1.00 0.96 C ATOM 631 O ASP A 161 -1.412 -4.424 7.465 1.00 1.06 O ATOM 632 CB ASP A 161 0.502 -2.159 6.365 1.00 1.18 C ATOM 633 CG ASP A 161 0.842 -1.039 5.400 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.895 -1.118 4.738 1.00 2.27 O ATOM 635 OD2 ASP A 161 0.070 -0.055 5.331 1.00 2.13 O ATOM 0 H ASP A 161 -1.948 -2.225 5.604 1.00 0.82 H new ATOM 0 HA ASP A 161 0.447 -3.749 4.907 1.00 0.93 H new ATOM 0 HB2 ASP A 161 -0.147 -1.767 7.148 1.00 1.18 H new ATOM 0 HB3 ASP A 161 1.417 -2.499 6.850 1.00 1.18 H new ATOM 640 N LYS A 162 0.540 -5.362 6.857 1.00 0.98 N ATOM 641 CA LYS A 162 0.557 -6.330 7.944 1.00 1.10 C ATOM 642 C LYS A 162 1.927 -6.303 8.619 1.00 1.22 C ATOM 643 O LYS A 162 2.820 -7.078 8.266 1.00 1.27 O ATOM 644 CB LYS A 162 0.230 -7.735 7.426 1.00 1.17 C ATOM 645 CG LYS A 162 0.196 -8.810 8.508 1.00 1.55 C ATOM 646 CD LYS A 162 -0.846 -8.509 9.572 1.00 1.86 C ATOM 647 CE LYS A 162 -0.837 -9.566 10.667 1.00 2.36 C ATOM 648 NZ LYS A 162 0.498 -9.689 11.312 1.00 2.95 N ATOM 0 H LYS A 162 1.307 -5.465 6.192 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.207 -6.064 8.675 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -0.738 -7.709 6.925 1.00 1.17 H new ATOM 0 HB3 LYS A 162 0.970 -8.014 6.676 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -0.019 -9.777 8.053 1.00 1.55 H new ATOM 0 HG3 LYS A 162 1.178 -8.888 8.974 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -0.652 -7.529 10.008 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -1.834 -8.464 9.114 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.582 -9.313 11.421 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -1.125 -10.528 10.244 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 0.401 -10.190 12.218 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 1.137 -10.222 10.688 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 0.891 -8.741 11.481 1.00 2.95 H new ATOM 662 N ASP A 163 2.069 -5.393 9.581 1.00 1.37 N ATOM 663 CA ASP A 163 3.339 -5.120 10.263 1.00 1.58 C ATOM 664 C ASP A 163 4.421 -4.684 9.275 1.00 1.48 C ATOM 665 O ASP A 163 4.642 -3.491 9.073 1.00 1.94 O ATOM 666 CB ASP A 163 3.825 -6.328 11.072 1.00 1.83 C ATOM 667 CG ASP A 163 5.067 -6.007 11.887 1.00 2.42 C ATOM 668 OD1 ASP A 163 6.187 -6.125 11.348 1.00 2.80 O ATOM 669 OD2 ASP A 163 4.927 -5.628 13.072 1.00 2.97 O ATOM 0 H ASP A 163 1.297 -4.816 9.915 1.00 1.37 H new ATOM 0 HA ASP A 163 3.150 -4.301 10.957 1.00 1.58 H new ATOM 0 HB2 ASP A 163 3.030 -6.661 11.739 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.040 -7.155 10.395 1.00 1.83 H new ATOM 674 N GLY A 164 5.084 -5.652 8.658 1.00 1.41 N ATOM 675 CA GLY A 164 6.147 -5.351 7.727 1.00 1.46 C ATOM 676 C GLY A 164 5.963 -6.060 6.403 1.00 1.29 C ATOM 677 O GLY A 164 6.848 -6.034 5.549 1.00 1.45 O ATOM 0 H GLY A 164 4.901 -6.647 8.789 1.00 1.41 H new ATOM 0 HA2 GLY A 164 6.187 -4.275 7.559 1.00 1.46 H new ATOM 0 HA3 GLY A 164 7.103 -5.641 8.163 1.00 1.46 H new ATOM 681 N GLU A 165 4.817 -6.704 6.239 1.00 1.10 N ATOM 682 CA GLU A 165 4.507 -7.398 5.003 1.00 1.01 C ATOM 683 C GLU A 165 3.363 -6.687 4.292 1.00 0.86 C ATOM 684 O GLU A 165 2.509 -6.071 4.935 1.00 0.92 O ATOM 685 CB GLU A 165 4.141 -8.860 5.281 1.00 1.13 C ATOM 686 CG GLU A 165 3.923 -9.690 4.025 1.00 1.48 C ATOM 687 CD GLU A 165 5.176 -9.852 3.189 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.639 -8.856 2.597 1.00 2.17 O ATOM 689 OE2 GLU A 165 5.699 -10.988 3.112 1.00 2.21 O ATOM 0 H GLU A 165 4.087 -6.759 6.949 1.00 1.10 H new ATOM 0 HA GLU A 165 5.387 -7.388 4.361 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.934 -9.317 5.873 1.00 1.13 H new ATOM 0 HB3 GLU A 165 3.235 -8.889 5.886 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.554 -10.676 4.309 1.00 1.48 H new ATOM 0 HG3 GLU A 165 3.148 -9.222 3.418 1.00 1.48 H new ATOM 696 N LEU A 166 3.358 -6.773 2.974 1.00 0.77 N ATOM 697 CA LEU A 166 2.370 -6.085 2.161 1.00 0.65 C ATOM 698 C LEU A 166 1.327 -7.078 1.646 1.00 0.55 C ATOM 699 O LEU A 166 1.675 -8.103 1.061 1.00 0.63 O ATOM 700 CB LEU A 166 3.077 -5.390 0.989 1.00 0.71 C ATOM 701 CG LEU A 166 2.454 -4.076 0.506 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.073 -4.308 -0.081 1.00 1.25 C ATOM 703 CD2 LEU A 166 2.392 -3.064 1.645 1.00 1.21 C ATOM 0 H LEU A 166 4.034 -7.318 2.439 1.00 0.77 H new ATOM 0 HA LEU A 166 1.857 -5.336 2.765 1.00 0.65 H new ATOM 0 HB2 LEU A 166 4.109 -5.193 1.279 1.00 0.71 H new ATOM 0 HB3 LEU A 166 3.109 -6.083 0.148 1.00 0.71 H new ATOM 0 HG LEU A 166 3.089 -3.671 -0.283 1.00 0.86 H new ATOM 0 HD11 LEU A 166 0.655 -3.358 -0.415 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.148 -4.990 -0.928 1.00 1.25 H new ATOM 0 HD13 LEU A 166 0.423 -4.743 0.678 1.00 1.25 H new ATOM 0 HD21 LEU A 166 1.947 -2.137 1.284 1.00 1.21 H new ATOM 0 HD22 LEU A 166 1.785 -3.466 2.456 1.00 1.21 H new ATOM 0 HD23 LEU A 166 3.400 -2.865 2.010 1.00 1.21 H new ATOM 715 N TYR A 167 0.055 -6.776 1.877 1.00 0.46 N ATOM 716 CA TYR A 167 -1.034 -7.629 1.412 1.00 0.38 C ATOM 717 C TYR A 167 -2.137 -6.797 0.764 1.00 0.33 C ATOM 718 O TYR A 167 -2.266 -5.603 1.038 1.00 0.45 O ATOM 719 CB TYR A 167 -1.620 -8.443 2.570 1.00 0.46 C ATOM 720 CG TYR A 167 -0.661 -9.456 3.163 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.187 -10.525 2.407 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.250 -9.357 4.483 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.678 -11.454 2.952 1.00 0.94 C ATOM 724 CE2 TYR A 167 0.617 -10.282 5.032 1.00 0.97 C ATOM 725 CZ TYR A 167 1.072 -11.330 4.263 1.00 1.03 C ATOM 726 OH TYR A 167 1.931 -12.254 4.807 1.00 1.23 O ATOM 0 H TYR A 167 -0.249 -5.945 2.385 1.00 0.46 H new ATOM 0 HA TYR A 167 -0.624 -8.313 0.669 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -1.940 -7.758 3.356 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -2.511 -8.964 2.219 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.500 -10.629 1.379 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -0.614 -8.543 5.093 1.00 0.79 H new ATOM 0 HE1 TYR A 167 1.043 -12.274 2.351 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.936 -10.184 6.059 1.00 0.97 H new ATOM 0 HH TYR A 167 2.111 -12.022 5.742 1.00 1.23 H new ATOM 736 N CYS A 168 -2.926 -7.430 -0.100 1.00 0.30 N ATOM 737 CA CYS A 168 -4.056 -6.762 -0.728 1.00 0.38 C ATOM 738 C CYS A 168 -5.170 -6.534 0.283 1.00 0.45 C ATOM 739 O CYS A 168 -5.259 -7.252 1.285 1.00 0.47 O ATOM 740 CB CYS A 168 -4.610 -7.598 -1.882 1.00 0.46 C ATOM 741 SG CYS A 168 -3.342 -8.367 -2.935 1.00 0.52 S ATOM 0 H CYS A 168 -2.802 -8.403 -0.379 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.700 -5.805 -1.110 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.248 -8.381 -1.473 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.243 -6.963 -2.502 1.00 0.46 H new ATOM 0 HG CYS A 168 -2.805 -9.370 -2.306 1.00 0.52 H new ATOM 746 N LYS A 169 -6.019 -5.551 0.019 1.00 0.60 N ATOM 747 CA LYS A 169 -7.191 -5.311 0.851 1.00 0.72 C ATOM 748 C LYS A 169 -8.013 -6.597 0.966 1.00 0.69 C ATOM 749 O LYS A 169 -8.404 -7.002 2.066 1.00 0.75 O ATOM 750 CB LYS A 169 -8.032 -4.170 0.252 1.00 0.94 C ATOM 751 CG LYS A 169 -9.007 -3.514 1.226 1.00 1.57 C ATOM 752 CD LYS A 169 -10.225 -4.381 1.507 1.00 1.97 C ATOM 753 CE LYS A 169 -11.167 -3.721 2.503 1.00 2.66 C ATOM 754 NZ LYS A 169 -10.477 -3.379 3.773 1.00 3.12 N ATOM 0 H LYS A 169 -5.919 -4.906 -0.765 1.00 0.60 H new ATOM 0 HA LYS A 169 -6.875 -5.013 1.851 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.358 -3.406 -0.136 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.595 -4.559 -0.597 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -8.492 -3.303 2.163 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.333 -2.557 0.819 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -10.757 -4.574 0.576 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -9.902 -5.347 1.896 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.586 -2.816 2.062 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -12.002 -4.390 2.712 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -11.184 -3.188 4.512 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -9.875 -4.175 4.067 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -9.888 -2.534 3.631 1.00 3.12 H new ATOM 768 N VAL A 170 -8.233 -7.247 -0.175 1.00 0.70 N ATOM 769 CA VAL A 170 -9.012 -8.479 -0.232 1.00 0.77 C ATOM 770 C VAL A 170 -8.370 -9.574 0.604 1.00 0.69 C ATOM 771 O VAL A 170 -9.037 -10.216 1.413 1.00 0.78 O ATOM 772 CB VAL A 170 -9.151 -8.983 -1.686 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.804 -10.363 -1.729 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.939 -7.989 -2.524 1.00 1.02 C ATOM 0 H VAL A 170 -7.878 -6.936 -1.079 1.00 0.70 H new ATOM 0 HA VAL A 170 -9.999 -8.249 0.169 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.150 -9.072 -2.109 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.889 -10.693 -2.764 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.193 -11.072 -1.171 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.797 -10.310 -1.282 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.026 -8.362 -3.545 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.934 -7.862 -2.098 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.423 -7.029 -2.531 1.00 1.02 H new ATOM 784 N CYS A 171 -7.076 -9.766 0.420 1.00 0.58 N ATOM 785 CA CYS A 171 -6.363 -10.840 1.084 1.00 0.59 C ATOM 786 C CYS A 171 -6.216 -10.584 2.581 1.00 0.57 C ATOM 787 O CYS A 171 -6.221 -11.525 3.378 1.00 0.66 O ATOM 788 CB CYS A 171 -5.010 -11.025 0.417 1.00 0.58 C ATOM 789 SG CYS A 171 -5.144 -11.267 -1.382 1.00 0.80 S ATOM 0 H CYS A 171 -6.496 -9.188 -0.188 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.941 -11.759 0.986 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.388 -10.153 0.617 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.506 -11.884 0.859 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.541 -10.293 -1.997 1.00 0.80 H new ATOM 794 N TYR A 172 -6.088 -9.320 2.968 1.00 0.51 N ATOM 795 CA TYR A 172 -6.031 -8.976 4.382 1.00 0.59 C ATOM 796 C TYR A 172 -7.380 -9.244 5.039 1.00 0.67 C ATOM 797 O TYR A 172 -7.441 -9.784 6.139 1.00 0.76 O ATOM 798 CB TYR A 172 -5.628 -7.513 4.583 1.00 0.65 C ATOM 799 CG TYR A 172 -5.414 -7.140 6.037 1.00 0.89 C ATOM 800 CD1 TYR A 172 -4.171 -7.304 6.637 1.00 1.29 C ATOM 801 CD2 TYR A 172 -6.453 -6.632 6.810 1.00 1.24 C ATOM 802 CE1 TYR A 172 -3.971 -6.974 7.964 1.00 1.57 C ATOM 803 CE2 TYR A 172 -6.258 -6.301 8.136 1.00 1.45 C ATOM 804 CZ TYR A 172 -5.018 -6.473 8.708 1.00 1.48 C ATOM 805 OH TYR A 172 -4.825 -6.147 10.031 1.00 1.78 O ATOM 0 H TYR A 172 -6.023 -8.526 2.331 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.271 -9.601 4.852 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -4.711 -7.317 4.027 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -6.400 -6.870 4.161 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -3.348 -7.696 6.057 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -7.428 -6.494 6.366 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -2.999 -7.108 8.416 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -7.076 -5.908 8.722 1.00 1.45 H new ATOM 0 HH TYR A 172 -5.663 -5.807 10.410 1.00 1.78 H new ATOM 815 N ALA A 173 -8.456 -8.875 4.352 1.00 0.72 N ATOM 816 CA ALA A 173 -9.809 -9.138 4.836 1.00 0.87 C ATOM 817 C ALA A 173 -10.100 -10.633 4.781 1.00 0.91 C ATOM 818 O ALA A 173 -10.957 -11.148 5.495 1.00 1.05 O ATOM 819 CB ALA A 173 -10.829 -8.359 4.014 1.00 1.05 C ATOM 0 H ALA A 173 -8.418 -8.391 3.455 1.00 0.72 H new ATOM 0 HA ALA A 173 -9.884 -8.807 5.872 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -11.832 -8.566 4.387 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -10.624 -7.292 4.097 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.761 -8.661 2.969 1.00 1.05 H new ATOM 825 N LYS A 174 -9.383 -11.313 3.904 1.00 0.89 N ATOM 826 CA LYS A 174 -9.506 -12.751 3.731 1.00 1.06 C ATOM 827 C LYS A 174 -9.009 -13.496 4.972 1.00 1.08 C ATOM 828 O LYS A 174 -9.668 -14.413 5.456 1.00 1.27 O ATOM 829 CB LYS A 174 -8.719 -13.168 2.483 1.00 1.17 C ATOM 830 CG LYS A 174 -8.707 -14.656 2.189 1.00 1.67 C ATOM 831 CD LYS A 174 -7.925 -14.940 0.918 1.00 2.21 C ATOM 832 CE LYS A 174 -7.789 -16.428 0.661 1.00 2.63 C ATOM 833 NZ LYS A 174 -9.100 -17.074 0.406 1.00 3.36 N ATOM 0 H LYS A 174 -8.695 -10.881 3.288 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.556 -13.013 3.599 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.136 -12.648 1.621 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.689 -12.828 2.593 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -8.261 -15.195 3.025 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.729 -15.020 2.084 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -8.424 -14.469 0.071 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -6.934 -14.492 0.993 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -7.134 -16.589 -0.195 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.313 -16.901 1.520 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -8.951 -18.067 0.136 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -9.681 -17.033 1.268 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -9.589 -16.575 -0.365 1.00 3.36 H new ATOM 847 N ASN A 175 -7.853 -13.098 5.491 1.00 1.04 N ATOM 848 CA ASN A 175 -7.283 -13.769 6.655 1.00 1.24 C ATOM 849 C ASN A 175 -7.661 -13.065 7.958 1.00 1.33 C ATOM 850 O ASN A 175 -7.917 -13.737 8.959 1.00 1.56 O ATOM 851 CB ASN A 175 -5.761 -13.868 6.538 1.00 1.47 C ATOM 852 CG ASN A 175 -5.034 -12.543 6.742 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.690 -12.175 7.865 1.00 2.65 O ATOM 854 ND2 ASN A 175 -4.789 -11.818 5.665 1.00 2.25 N ATOM 0 H ASN A 175 -7.297 -12.323 5.130 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.703 -14.775 6.680 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.397 -14.587 7.272 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.508 -14.261 5.554 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -4.302 -10.926 5.751 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -5.087 -12.150 4.748 1.00 2.25 H new ATOM 861 N PHE A 176 -7.707 -11.728 7.930 1.00 1.30 N ATOM 862 CA PHE A 176 -8.032 -10.894 9.102 1.00 1.58 C ATOM 863 C PHE A 176 -7.457 -11.460 10.405 1.00 2.55 C ATOM 864 O PHE A 176 -8.162 -11.603 11.408 1.00 3.04 O ATOM 865 CB PHE A 176 -9.553 -10.647 9.221 1.00 1.55 C ATOM 866 CG PHE A 176 -10.407 -11.891 9.281 1.00 2.24 C ATOM 867 CD1 PHE A 176 -10.746 -12.578 8.125 1.00 2.85 C ATOM 868 CD2 PHE A 176 -10.873 -12.368 10.494 1.00 2.73 C ATOM 869 CE1 PHE A 176 -11.532 -13.713 8.181 1.00 3.93 C ATOM 870 CE2 PHE A 176 -11.659 -13.498 10.557 1.00 3.72 C ATOM 871 CZ PHE A 176 -11.969 -14.188 9.378 1.00 4.32 C ATOM 0 H PHE A 176 -7.518 -11.186 7.087 1.00 1.30 H new ATOM 0 HA PHE A 176 -7.549 -9.931 8.937 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -9.739 -10.055 10.117 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -9.874 -10.046 8.370 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -10.391 -12.221 7.169 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -10.617 -11.847 11.405 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -11.801 -14.226 7.269 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -12.033 -13.849 11.508 1.00 3.72 H new ATOM 0 HZ PHE A 176 -12.554 -15.095 9.420 1.00 4.32 H new