USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 545 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 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= -0.0528 USER MOD Set 2.1: A 111 CYS SG : rot -153:sc= -0.395 USER MOD Set 2.2: A 115 CYS SG : rot 121:sc= 0.0709 USER MOD Set 2.3: A 125 CYS SG : rot -151:sc= 0.526 USER MOD Set 2.4: A 128 CYS SG : rot -34:sc= -2.67 USER MOD Set 3.1: A 101 THR OG1 : rot 70:sc= 0.478 USER MOD Set 3.2: A 108 TYR OH : rot 170:sc= 0.0233 USER MOD Set 4.1: A 74 CYS SG : rot 174:sc= -1.06 USER MOD Set 4.2: A 77 CYS SG : rot -46:sc= 0.0195 USER MOD Set 4.3: A 91 CYS SG : rot -128:sc= 1.14 USER MOD Set 4.4: A 94 CYS SG : rot 91:sc= -1.63 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.073) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.379 USER MOD Single : A 89 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-2.4!) USER MOD Single : A 95 LYS NZ :NH3+ -122:sc= -0.968 (180deg=-2.42!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc=-0.00483 X(o=-0.0048,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.302 K(o=-0.3,f=-0.98) USER MOD Single : A 123 ASN : amide:sc= -0.0724 K(o=-0.072,f=-1.1) USER MOD Single : A 124 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00115) USER MOD Single : A 126 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.9) USER MOD Single : A 131 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot 150:sc= -0.455 USER MOD Single : A 138 MET CE :methyl -159:sc= -0.165 (180deg=-0.873) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= 0.0741 K(o=0.074,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.371 10.758 -8.359 1.00 0.00 N ATOM 84 CA GLU A 73 6.557 9.318 -8.499 1.00 0.00 C ATOM 85 C GLU A 73 5.553 8.554 -7.641 1.00 0.00 C ATOM 86 O GLU A 73 4.946 9.114 -6.727 1.00 0.00 O ATOM 87 CB GLU A 73 7.983 8.925 -8.108 1.00 0.00 C ATOM 88 CG GLU A 73 8.926 8.800 -9.292 1.00 0.00 C ATOM 89 CD GLU A 73 10.368 9.088 -8.922 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.913 8.369 -8.058 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.951 10.031 -9.495 1.00 0.00 O ATOM 0 HA GLU A 73 6.390 9.056 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.379 9.668 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.956 7.975 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.855 7.793 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.612 9.488 -10.076 1.00 0.00 H new ATOM 98 N CYS A 74 5.383 7.271 -7.941 1.00 0.00 N ATOM 99 CA CYS A 74 4.452 6.428 -7.200 1.00 0.00 C ATOM 100 C CYS A 74 5.063 5.978 -5.875 1.00 0.00 C ATOM 101 O CYS A 74 6.284 5.895 -5.739 1.00 0.00 O ATOM 102 CB CYS A 74 4.062 5.207 -8.034 1.00 0.00 C ATOM 103 SG CYS A 74 2.913 4.069 -7.194 1.00 0.00 S ATOM 0 H CYS A 74 5.878 6.792 -8.693 1.00 0.00 H new ATOM 0 HA CYS A 74 3.559 7.015 -6.988 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.606 5.546 -8.964 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.966 4.660 -8.303 1.00 0.00 H new ATOM 0 HG CYS A 74 2.542 3.138 -8.022 1.00 0.00 H new ATOM 108 N ARG A 75 4.205 5.690 -4.902 1.00 0.00 N ATOM 109 CA ARG A 75 4.659 5.250 -3.589 1.00 0.00 C ATOM 110 C ARG A 75 4.715 3.727 -3.514 1.00 0.00 C ATOM 111 O ARG A 75 5.553 3.159 -2.815 1.00 0.00 O ATOM 112 CB ARG A 75 3.734 5.792 -2.498 1.00 0.00 C ATOM 113 CG ARG A 75 3.905 7.279 -2.236 1.00 0.00 C ATOM 114 CD ARG A 75 5.188 7.566 -1.472 1.00 0.00 C ATOM 115 NE ARG A 75 5.212 6.900 -0.173 1.00 0.00 N ATOM 116 CZ ARG A 75 6.321 6.699 0.530 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.491 7.112 0.061 1.00 0.00 N ATOM 118 NH2 ARG A 75 6.262 6.085 1.705 1.00 0.00 N ATOM 0 H ARG A 75 3.192 5.754 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 75 5.664 5.641 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.700 5.599 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.918 5.245 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.916 7.818 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.052 7.650 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.043 7.238 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.292 8.642 -1.330 1.00 0.00 H new ATOM 0 HE ARG A 75 4.328 6.571 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.540 7.585 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.341 6.957 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.364 5.767 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.115 5.931 2.244 1.00 0.00 H new ATOM 132 N VAL A 76 3.814 3.072 -4.240 1.00 0.00 N ATOM 133 CA VAL A 76 3.760 1.615 -4.257 1.00 0.00 C ATOM 134 C VAL A 76 4.950 1.030 -5.010 1.00 0.00 C ATOM 135 O VAL A 76 5.854 0.447 -4.409 1.00 0.00 O ATOM 136 CB VAL A 76 2.458 1.109 -4.905 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.489 -0.405 -5.056 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.252 1.547 -4.088 1.00 0.00 C ATOM 0 H VAL A 76 3.112 3.527 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 76 3.792 1.285 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 76 2.373 1.547 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.561 -0.744 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.331 -0.691 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.597 -0.866 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.340 1.181 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.328 1.139 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.223 2.635 -4.038 1.00 0.00 H new ATOM 148 N CYS A 77 4.945 1.188 -6.329 1.00 0.00 N ATOM 149 CA CYS A 77 6.023 0.676 -7.166 1.00 0.00 C ATOM 150 C CYS A 77 7.171 1.678 -7.247 1.00 0.00 C ATOM 151 O CYS A 77 8.335 1.320 -7.073 1.00 0.00 O ATOM 152 CB CYS A 77 5.503 0.365 -8.571 1.00 0.00 C ATOM 153 SG CYS A 77 5.016 1.838 -9.527 1.00 0.00 S ATOM 0 H CYS A 77 4.205 1.667 -6.842 1.00 0.00 H new ATOM 0 HA CYS A 77 6.396 -0.242 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.275 -0.173 -9.121 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.645 -0.302 -8.490 1.00 0.00 H new ATOM 0 HG CYS A 77 4.300 2.624 -8.779 1.00 0.00 H new ATOM 158 N GLY A 78 6.834 2.937 -7.512 1.00 0.00 N ATOM 159 CA GLY A 78 7.847 3.971 -7.612 1.00 0.00 C ATOM 160 C GLY A 78 7.757 4.747 -8.911 1.00 0.00 C ATOM 161 O GLY A 78 7.980 5.958 -8.935 1.00 0.00 O ATOM 0 H GLY A 78 5.877 3.259 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.743 4.659 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.835 3.517 -7.531 1.00 0.00 H new ATOM 165 N ASP A 79 7.433 4.050 -9.993 1.00 0.00 N ATOM 166 CA ASP A 79 7.315 4.681 -11.303 1.00 0.00 C ATOM 167 C ASP A 79 6.531 5.986 -11.209 1.00 0.00 C ATOM 168 O ASP A 79 5.705 6.163 -10.313 1.00 0.00 O ATOM 169 CB ASP A 79 6.635 3.732 -12.291 1.00 0.00 C ATOM 170 CG ASP A 79 6.712 4.232 -13.720 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.760 4.022 -14.366 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.725 4.834 -14.193 1.00 0.00 O ATOM 0 H ASP A 79 7.247 3.047 -9.990 1.00 0.00 H new ATOM 0 HA ASP A 79 8.319 4.907 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.103 2.750 -12.227 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.590 3.606 -12.009 1.00 0.00 H new ATOM 177 N LYS A 80 6.796 6.898 -12.138 1.00 0.00 N ATOM 178 CA LYS A 80 6.116 8.187 -12.161 1.00 0.00 C ATOM 179 C LYS A 80 4.681 8.055 -11.660 1.00 0.00 C ATOM 180 O LYS A 80 3.960 7.137 -12.050 1.00 0.00 O ATOM 181 CB LYS A 80 6.120 8.764 -13.579 1.00 0.00 C ATOM 182 CG LYS A 80 5.838 10.255 -13.630 1.00 0.00 C ATOM 183 CD LYS A 80 5.193 10.656 -14.945 1.00 0.00 C ATOM 184 CE LYS A 80 3.740 10.211 -15.012 1.00 0.00 C ATOM 185 NZ LYS A 80 3.031 10.802 -16.181 1.00 0.00 N ATOM 0 H LYS A 80 7.478 6.768 -12.886 1.00 0.00 H new ATOM 0 HA LYS A 80 6.654 8.864 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.089 8.570 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.374 8.241 -14.177 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.183 10.531 -12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.769 10.807 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.249 11.738 -15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.748 10.215 -15.773 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.696 9.124 -15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.229 10.500 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.044 10.474 -16.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.051 11.839 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.503 10.506 -17.059 1.00 0.00 H new ATOM 199 N ALA A 81 4.274 8.977 -10.794 1.00 0.00 N ATOM 200 CA ALA A 81 2.925 8.965 -10.243 1.00 0.00 C ATOM 201 C ALA A 81 1.958 9.730 -11.140 1.00 0.00 C ATOM 202 O ALA A 81 2.300 10.780 -11.685 1.00 0.00 O ATOM 203 CB ALA A 81 2.923 9.553 -8.839 1.00 0.00 C ATOM 0 H ALA A 81 4.860 9.742 -10.459 1.00 0.00 H new ATOM 0 HA ALA A 81 2.590 7.929 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.909 9.538 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.575 8.962 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.284 10.581 -8.875 1.00 0.00 H new ATOM 209 N SER A 82 0.750 9.197 -11.290 1.00 0.00 N ATOM 210 CA SER A 82 -0.265 9.828 -12.126 1.00 0.00 C ATOM 211 C SER A 82 -1.006 10.915 -11.353 1.00 0.00 C ATOM 212 O SER A 82 -1.178 12.032 -11.841 1.00 0.00 O ATOM 213 CB SER A 82 -1.259 8.782 -12.636 1.00 0.00 C ATOM 214 OG SER A 82 -2.368 9.398 -13.267 1.00 0.00 O ATOM 0 H SER A 82 0.450 8.330 -10.844 1.00 0.00 H new ATOM 0 HA SER A 82 0.236 10.288 -12.978 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.761 8.115 -13.339 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.605 8.168 -11.804 1.00 0.00 H new ATOM 0 HG SER A 82 -2.988 8.709 -13.585 1.00 0.00 H new ATOM 220 N GLY A 83 -1.443 10.579 -10.143 1.00 0.00 N ATOM 221 CA GLY A 83 -2.160 11.537 -9.321 1.00 0.00 C ATOM 222 C GLY A 83 -2.127 11.176 -7.849 1.00 0.00 C ATOM 223 O GLY A 83 -1.188 10.533 -7.381 1.00 0.00 O ATOM 0 H GLY A 83 -1.313 9.661 -9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.725 12.527 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.196 11.594 -9.655 1.00 0.00 H new ATOM 227 N PHE A 84 -3.155 11.593 -7.116 1.00 0.00 N ATOM 228 CA PHE A 84 -3.238 11.313 -5.688 1.00 0.00 C ATOM 229 C PHE A 84 -4.506 10.528 -5.361 1.00 0.00 C ATOM 230 O PHE A 84 -5.555 11.109 -5.084 1.00 0.00 O ATOM 231 CB PHE A 84 -3.212 12.617 -4.888 1.00 0.00 C ATOM 232 CG PHE A 84 -2.757 12.440 -3.468 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.608 11.723 -3.179 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.479 12.992 -2.421 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.188 11.558 -1.872 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.063 12.831 -1.113 1.00 0.00 C ATOM 237 CZ PHE A 84 -1.915 12.114 -0.838 1.00 0.00 C ATOM 0 H PHE A 84 -3.941 12.126 -7.488 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.375 10.708 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.552 13.327 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.210 13.055 -4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.034 11.288 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.377 13.554 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.292 10.994 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.635 13.265 -0.307 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.587 11.989 0.183 1.00 0.00 H new ATOM 247 N HIS A 85 -4.399 9.203 -5.395 1.00 0.00 N ATOM 248 CA HIS A 85 -5.536 8.338 -5.102 1.00 0.00 C ATOM 249 C HIS A 85 -5.391 7.697 -3.725 1.00 0.00 C ATOM 250 O HIS A 85 -4.293 7.314 -3.321 1.00 0.00 O ATOM 251 CB HIS A 85 -5.666 7.252 -6.172 1.00 0.00 C ATOM 252 CG HIS A 85 -5.600 7.780 -7.572 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.640 8.459 -8.170 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.608 7.727 -8.492 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.292 8.799 -9.399 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.064 8.367 -9.618 1.00 0.00 N ATOM 0 H HIS A 85 -3.538 8.706 -5.622 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.437 8.951 -5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.872 6.518 -6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.612 6.729 -6.034 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.639 7.267 -8.364 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.907 9.338 -10.104 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.539 8.489 -10.484 1.00 0.00 H new ATOM 264 N TYR A 86 -6.505 7.584 -3.011 1.00 0.00 N ATOM 265 CA TYR A 86 -6.501 6.992 -1.678 1.00 0.00 C ATOM 266 C TYR A 86 -5.611 7.791 -0.730 1.00 0.00 C ATOM 267 O TYR A 86 -4.980 7.232 0.166 1.00 0.00 O ATOM 268 CB TYR A 86 -6.023 5.541 -1.742 1.00 0.00 C ATOM 269 CG TYR A 86 -6.692 4.731 -2.830 1.00 0.00 C ATOM 270 CD1 TYR A 86 -6.217 4.757 -4.135 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.798 3.938 -2.551 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.825 4.019 -5.132 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.412 3.195 -3.541 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.923 3.240 -4.830 1.00 0.00 C ATOM 275 OH TYR A 86 -8.531 2.502 -5.820 1.00 0.00 O ATOM 0 H TYR A 86 -7.422 7.894 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.521 7.014 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.945 5.529 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.207 5.064 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.357 5.365 -4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.184 3.902 -1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.443 4.052 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.270 2.582 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.288 2.008 -5.442 1.00 0.00 H new ATOM 285 N GLY A 87 -5.568 9.104 -0.935 1.00 0.00 N ATOM 286 CA GLY A 87 -4.754 9.960 -0.092 1.00 0.00 C ATOM 287 C GLY A 87 -3.281 9.608 -0.158 1.00 0.00 C ATOM 288 O GLY A 87 -2.507 9.971 0.727 1.00 0.00 O ATOM 0 H GLY A 87 -6.082 9.590 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.890 10.998 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.097 9.881 0.940 1.00 0.00 H new ATOM 292 N VAL A 88 -2.891 8.896 -1.211 1.00 0.00 N ATOM 293 CA VAL A 88 -1.501 8.494 -1.390 1.00 0.00 C ATOM 294 C VAL A 88 -1.062 8.664 -2.840 1.00 0.00 C ATOM 295 O VAL A 88 -1.836 8.425 -3.767 1.00 0.00 O ATOM 296 CB VAL A 88 -1.282 7.029 -0.968 1.00 0.00 C ATOM 297 CG1 VAL A 88 -2.007 6.086 -1.915 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.204 6.707 -0.915 1.00 0.00 C ATOM 0 H VAL A 88 -3.518 8.586 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.900 9.142 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.696 6.891 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.840 5.056 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.075 6.303 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.626 6.223 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.341 5.668 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.645 6.862 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.692 7.360 -0.192 1.00 0.00 H new ATOM 308 N HIS A 89 0.187 9.079 -3.030 1.00 0.00 N ATOM 309 CA HIS A 89 0.730 9.281 -4.368 1.00 0.00 C ATOM 310 C HIS A 89 1.015 7.944 -5.046 1.00 0.00 C ATOM 311 O HIS A 89 2.088 7.365 -4.874 1.00 0.00 O ATOM 312 CB HIS A 89 2.010 10.115 -4.302 1.00 0.00 C ATOM 313 CG HIS A 89 1.760 11.587 -4.193 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.564 12.231 -2.989 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.678 12.544 -5.147 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.369 13.519 -3.208 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.434 13.735 -4.509 1.00 0.00 N ATOM 0 H HIS A 89 0.841 9.282 -2.274 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.014 9.817 -4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.601 9.791 -3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.607 9.921 -5.193 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.785 12.398 -6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.187 14.268 -2.452 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.321 14.640 -4.966 1.00 0.00 H new ATOM 325 N ALA A 90 0.047 7.458 -5.816 1.00 0.00 N ATOM 326 CA ALA A 90 0.194 6.191 -6.521 1.00 0.00 C ATOM 327 C ALA A 90 -0.020 6.367 -8.020 1.00 0.00 C ATOM 328 O ALA A 90 -0.528 7.396 -8.468 1.00 0.00 O ATOM 329 CB ALA A 90 -0.779 5.162 -5.964 1.00 0.00 C ATOM 0 H ALA A 90 -0.848 7.923 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 90 1.212 5.834 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.659 4.220 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.576 5.006 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.800 5.522 -6.088 1.00 0.00 H new ATOM 335 N CYS A 91 0.370 5.358 -8.792 1.00 0.00 N ATOM 336 CA CYS A 91 0.222 5.402 -10.241 1.00 0.00 C ATOM 337 C CYS A 91 -0.981 4.577 -10.690 1.00 0.00 C ATOM 338 O CYS A 91 -1.510 3.768 -9.929 1.00 0.00 O ATOM 339 CB CYS A 91 1.491 4.885 -10.921 1.00 0.00 C ATOM 340 SG CYS A 91 1.750 3.091 -10.747 1.00 0.00 S ATOM 0 H CYS A 91 0.791 4.499 -8.437 1.00 0.00 H new ATOM 0 HA CYS A 91 0.059 6.439 -10.533 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.449 5.134 -11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.352 5.408 -10.505 1.00 0.00 H new ATOM 0 HG CYS A 91 2.946 2.868 -10.290 1.00 0.00 H new ATOM 345 N GLU A 92 -1.406 4.788 -11.932 1.00 0.00 N ATOM 346 CA GLU A 92 -2.546 4.063 -12.482 1.00 0.00 C ATOM 347 C GLU A 92 -2.350 2.556 -12.344 1.00 0.00 C ATOM 348 O GLU A 92 -3.187 1.861 -11.770 1.00 0.00 O ATOM 349 CB GLU A 92 -2.749 4.429 -13.954 1.00 0.00 C ATOM 350 CG GLU A 92 -3.334 5.817 -14.160 1.00 0.00 C ATOM 351 CD GLU A 92 -4.091 5.942 -15.468 1.00 0.00 C ATOM 352 OE1 GLU A 92 -3.532 5.557 -16.517 1.00 0.00 O ATOM 353 OE2 GLU A 92 -5.243 6.424 -15.443 1.00 0.00 O ATOM 0 H GLU A 92 -0.979 5.454 -12.576 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.433 4.350 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.791 4.367 -14.471 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.408 3.694 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.004 6.051 -13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.530 6.553 -14.138 1.00 0.00 H new ATOM 360 N GLY A 93 -1.238 2.058 -12.876 1.00 0.00 N ATOM 361 CA GLY A 93 -0.953 0.637 -12.803 1.00 0.00 C ATOM 362 C GLY A 93 -1.265 0.052 -11.440 1.00 0.00 C ATOM 363 O GLY A 93 -2.124 -0.821 -11.313 1.00 0.00 O ATOM 0 H GLY A 93 -0.530 2.613 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.535 0.113 -13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.098 0.468 -13.035 1.00 0.00 H new ATOM 367 N CYS A 94 -0.566 0.532 -10.417 1.00 0.00 N ATOM 368 CA CYS A 94 -0.771 0.051 -9.057 1.00 0.00 C ATOM 369 C CYS A 94 -2.240 0.155 -8.659 1.00 0.00 C ATOM 370 O CYS A 94 -2.848 -0.823 -8.221 1.00 0.00 O ATOM 371 CB CYS A 94 0.092 0.847 -8.076 1.00 0.00 C ATOM 372 SG CYS A 94 1.875 0.491 -8.196 1.00 0.00 S ATOM 0 H CYS A 94 0.148 1.255 -10.505 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.476 -0.998 -9.021 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.068 1.911 -8.249 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.242 0.636 -7.060 1.00 0.00 H new ATOM 0 HG CYS A 94 2.426 1.313 -9.040 1.00 0.00 H new ATOM 377 N LYS A 95 -2.807 1.347 -8.814 1.00 0.00 N ATOM 378 CA LYS A 95 -4.205 1.580 -8.473 1.00 0.00 C ATOM 379 C LYS A 95 -5.063 0.372 -8.835 1.00 0.00 C ATOM 380 O LYS A 95 -5.669 -0.254 -7.967 1.00 0.00 O ATOM 381 CB LYS A 95 -4.726 2.825 -9.195 1.00 0.00 C ATOM 382 CG LYS A 95 -6.204 3.090 -8.961 1.00 0.00 C ATOM 383 CD LYS A 95 -6.534 4.566 -9.100 1.00 0.00 C ATOM 384 CE LYS A 95 -6.816 4.940 -10.548 1.00 0.00 C ATOM 385 NZ LYS A 95 -5.566 5.256 -11.293 1.00 0.00 N ATOM 0 H LYS A 95 -2.319 2.167 -9.174 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.269 1.738 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.153 3.692 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.550 2.715 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.795 2.515 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.483 2.746 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.402 4.805 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.703 5.163 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.335 4.118 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.484 5.801 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.624 6.222 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.752 5.186 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.448 4.581 -12.075 1.00 0.00 H new ATOM 399 N GLY A 96 -5.107 0.049 -10.124 1.00 0.00 N ATOM 400 CA GLY A 96 -5.892 -1.084 -10.578 1.00 0.00 C ATOM 401 C GLY A 96 -5.673 -2.319 -9.727 1.00 0.00 C ATOM 402 O GLY A 96 -6.627 -3.005 -9.359 1.00 0.00 O ATOM 0 H GLY A 96 -4.613 0.552 -10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.949 -0.819 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.634 -1.309 -11.613 1.00 0.00 H new ATOM 406 N PHE A 97 -4.414 -2.605 -9.414 1.00 0.00 N ATOM 407 CA PHE A 97 -4.072 -3.768 -8.603 1.00 0.00 C ATOM 408 C PHE A 97 -4.734 -3.686 -7.230 1.00 0.00 C ATOM 409 O PHE A 97 -5.525 -4.553 -6.858 1.00 0.00 O ATOM 410 CB PHE A 97 -2.554 -3.877 -8.445 1.00 0.00 C ATOM 411 CG PHE A 97 -2.128 -4.955 -7.490 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.074 -4.711 -6.127 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.779 -6.213 -7.955 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.683 -5.701 -5.246 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.387 -7.207 -7.079 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.338 -6.950 -5.722 1.00 0.00 C ATOM 0 H PHE A 97 -3.613 -2.047 -9.710 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.442 -4.658 -9.113 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.108 -4.070 -9.421 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.163 -2.920 -8.099 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.341 -3.735 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.814 -6.419 -9.015 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.647 -5.498 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.119 -8.184 -7.454 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.030 -7.725 -5.035 1.00 0.00 H new ATOM 426 N PHE A 98 -4.403 -2.639 -6.482 1.00 0.00 N ATOM 427 CA PHE A 98 -4.963 -2.444 -5.150 1.00 0.00 C ATOM 428 C PHE A 98 -6.484 -2.557 -5.177 1.00 0.00 C ATOM 429 O PHE A 98 -7.060 -3.479 -4.598 1.00 0.00 O ATOM 430 CB PHE A 98 -4.552 -1.079 -4.595 1.00 0.00 C ATOM 431 CG PHE A 98 -5.203 -0.744 -3.284 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.872 -1.440 -2.133 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.147 0.268 -3.203 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.469 -1.133 -0.924 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.747 0.579 -1.997 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.409 -0.123 -0.857 1.00 0.00 C ATOM 0 H PHE A 98 -3.750 -1.913 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.570 -3.226 -4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.469 -1.058 -4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.804 -0.309 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.139 -2.232 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.417 0.819 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.201 -1.682 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.480 1.371 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.879 0.117 0.085 1.00 0.00 H new ATOM 446 N ARG A 99 -7.130 -1.613 -5.854 1.00 0.00 N ATOM 447 CA ARG A 99 -8.584 -1.604 -5.956 1.00 0.00 C ATOM 448 C ARG A 99 -9.111 -2.988 -6.325 1.00 0.00 C ATOM 449 O ARG A 99 -10.063 -3.482 -5.721 1.00 0.00 O ATOM 450 CB ARG A 99 -9.037 -0.579 -6.996 1.00 0.00 C ATOM 451 CG ARG A 99 -10.534 -0.313 -6.978 1.00 0.00 C ATOM 452 CD ARG A 99 -10.912 0.810 -7.931 1.00 0.00 C ATOM 453 NE ARG A 99 -11.221 0.312 -9.269 1.00 0.00 N ATOM 454 CZ ARG A 99 -12.394 -0.213 -9.605 1.00 0.00 C ATOM 455 NH1 ARG A 99 -13.364 -0.307 -8.706 1.00 0.00 N ATOM 456 NH2 ARG A 99 -12.599 -0.644 -10.843 1.00 0.00 N ATOM 0 H ARG A 99 -6.669 -0.844 -6.340 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.990 -1.327 -4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.508 0.358 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.751 -0.929 -7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.069 -1.221 -7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.846 -0.054 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.775 1.346 -7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.092 1.526 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.496 0.371 -9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.211 0.024 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.264 -0.711 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.856 -0.572 -11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.500 -1.047 -11.100 1.00 0.00 H new ATOM 470 N ARG A 100 -8.486 -3.606 -7.322 1.00 0.00 N ATOM 471 CA ARG A 100 -8.894 -4.931 -7.773 1.00 0.00 C ATOM 472 C ARG A 100 -8.873 -5.929 -6.619 1.00 0.00 C ATOM 473 O ARG A 100 -9.832 -6.673 -6.409 1.00 0.00 O ATOM 474 CB ARG A 100 -7.975 -5.415 -8.897 1.00 0.00 C ATOM 475 CG ARG A 100 -8.270 -6.834 -9.356 1.00 0.00 C ATOM 476 CD ARG A 100 -7.872 -7.043 -10.809 1.00 0.00 C ATOM 477 NE ARG A 100 -6.437 -7.271 -10.956 1.00 0.00 N ATOM 478 CZ ARG A 100 -5.837 -7.445 -12.129 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.545 -7.418 -13.250 1.00 0.00 N ATOM 480 NH2 ARG A 100 -4.527 -7.648 -12.181 1.00 0.00 N ATOM 0 H ARG A 100 -7.696 -3.211 -7.832 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.914 -4.861 -8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.069 -4.740 -9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.940 -5.359 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.732 -7.541 -8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.333 -7.043 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.418 -7.894 -11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.162 -6.170 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.864 -7.298 -10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.553 -7.263 -13.213 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.082 -7.552 -14.149 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.980 -7.671 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.067 -7.782 -13.082 1.00 0.00 H new ATOM 494 N THR A 101 -7.772 -5.940 -5.873 1.00 0.00 N ATOM 495 CA THR A 101 -7.625 -6.847 -4.742 1.00 0.00 C ATOM 496 C THR A 101 -8.697 -6.591 -3.689 1.00 0.00 C ATOM 497 O THR A 101 -9.038 -7.479 -2.907 1.00 0.00 O ATOM 498 CB THR A 101 -6.237 -6.710 -4.088 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.213 -6.930 -5.064 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.077 -7.700 -2.945 1.00 0.00 C ATOM 0 H THR A 101 -6.970 -5.331 -6.032 1.00 0.00 H new ATOM 0 HA THR A 101 -7.736 -7.859 -5.132 1.00 0.00 H new ATOM 0 HB THR A 101 -6.146 -5.700 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.201 -6.184 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.089 -7.584 -2.499 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.840 -7.511 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.187 -8.716 -3.325 1.00 0.00 H new ATOM 508 N ILE A 102 -9.226 -5.372 -3.674 1.00 0.00 N ATOM 509 CA ILE A 102 -10.261 -5.000 -2.717 1.00 0.00 C ATOM 510 C ILE A 102 -11.648 -5.359 -3.241 1.00 0.00 C ATOM 511 O ILE A 102 -12.332 -6.215 -2.680 1.00 0.00 O ATOM 512 CB ILE A 102 -10.219 -3.494 -2.399 1.00 0.00 C ATOM 513 CG1 ILE A 102 -8.815 -3.085 -1.947 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.246 -3.149 -1.331 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.443 -3.614 -0.580 1.00 0.00 C ATOM 0 H ILE A 102 -8.955 -4.625 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.063 -5.561 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.465 -2.940 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.088 -3.443 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.748 -1.997 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.204 -2.081 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.243 -3.409 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.028 -3.710 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.436 -3.285 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.147 -3.235 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.478 -4.703 -0.590 1.00 0.00 H new ATOM 527 N ARG A 103 -12.056 -4.699 -4.320 1.00 0.00 N ATOM 528 CA ARG A 103 -13.361 -4.949 -4.920 1.00 0.00 C ATOM 529 C ARG A 103 -13.574 -6.441 -5.156 1.00 0.00 C ATOM 530 O ARG A 103 -14.706 -6.923 -5.160 1.00 0.00 O ATOM 531 CB ARG A 103 -13.492 -4.189 -6.242 1.00 0.00 C ATOM 532 CG ARG A 103 -12.711 -4.816 -7.385 1.00 0.00 C ATOM 533 CD ARG A 103 -12.932 -4.065 -8.689 1.00 0.00 C ATOM 534 NE ARG A 103 -14.280 -4.267 -9.214 1.00 0.00 N ATOM 535 CZ ARG A 103 -14.615 -4.048 -10.481 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.705 -3.624 -11.347 1.00 0.00 N ATOM 537 NH2 ARG A 103 -15.862 -4.255 -10.884 1.00 0.00 N ATOM 0 H ARG A 103 -11.502 -3.987 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.125 -4.595 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.545 -4.137 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.149 -3.164 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.648 -4.820 -7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -13.014 -5.856 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.761 -3.001 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.202 -4.397 -9.427 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.003 -4.594 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.745 -3.465 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.965 -3.457 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.565 -4.583 -10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.118 -4.087 -11.857 1.00 0.00 H new ATOM 551 N MET A 104 -12.478 -7.167 -5.353 1.00 0.00 N ATOM 552 CA MET A 104 -12.546 -8.604 -5.589 1.00 0.00 C ATOM 553 C MET A 104 -12.297 -9.379 -4.299 1.00 0.00 C ATOM 554 O MET A 104 -12.604 -10.568 -4.207 1.00 0.00 O ATOM 555 CB MET A 104 -11.524 -9.017 -6.651 1.00 0.00 C ATOM 556 CG MET A 104 -11.745 -8.349 -7.998 1.00 0.00 C ATOM 557 SD MET A 104 -10.966 -9.246 -9.354 1.00 0.00 S ATOM 558 CE MET A 104 -12.199 -10.504 -9.680 1.00 0.00 C ATOM 0 H MET A 104 -11.533 -6.784 -5.354 1.00 0.00 H new ATOM 0 HA MET A 104 -13.548 -8.841 -5.947 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.523 -8.775 -6.294 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.563 -10.099 -6.780 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.815 -8.269 -8.188 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.350 -7.334 -7.965 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.861 -11.141 -10.497 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.347 -11.109 -8.785 1.00 0.00 H new ATOM 0 HE3 MET A 104 -13.140 -10.028 -9.956 1.00 0.00 H new ATOM 568 N LYS A 105 -11.738 -8.699 -3.304 1.00 0.00 N ATOM 569 CA LYS A 105 -11.448 -9.322 -2.018 1.00 0.00 C ATOM 570 C LYS A 105 -10.577 -10.562 -2.198 1.00 0.00 C ATOM 571 O LYS A 105 -10.861 -11.620 -1.636 1.00 0.00 O ATOM 572 CB LYS A 105 -12.749 -9.700 -1.306 1.00 0.00 C ATOM 573 CG LYS A 105 -13.427 -8.528 -0.617 1.00 0.00 C ATOM 574 CD LYS A 105 -14.926 -8.746 -0.494 1.00 0.00 C ATOM 575 CE LYS A 105 -15.614 -8.665 -1.848 1.00 0.00 C ATOM 576 NZ LYS A 105 -17.046 -8.274 -1.720 1.00 0.00 N ATOM 0 H LYS A 105 -11.476 -7.715 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.903 -8.601 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.438 -10.133 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.538 -10.473 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.996 -8.388 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.236 -7.614 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.117 -9.721 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.350 -7.998 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.095 -7.942 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.544 -9.630 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.480 -8.230 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.548 -8.978 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.112 -7.341 -1.265 1.00 0.00 H new ATOM 590 N LEU A 106 -9.514 -10.423 -2.984 1.00 0.00 N ATOM 591 CA LEU A 106 -8.600 -11.531 -3.237 1.00 0.00 C ATOM 592 C LEU A 106 -7.561 -11.644 -2.126 1.00 0.00 C ATOM 593 O LEU A 106 -7.102 -10.637 -1.588 1.00 0.00 O ATOM 594 CB LEU A 106 -7.903 -11.346 -4.586 1.00 0.00 C ATOM 595 CG LEU A 106 -8.821 -11.200 -5.801 1.00 0.00 C ATOM 596 CD1 LEU A 106 -8.033 -10.720 -7.010 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.517 -12.518 -6.104 1.00 0.00 C ATOM 0 H LEU A 106 -9.264 -9.554 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.183 -12.452 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.269 -10.462 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.245 -12.199 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.582 -10.455 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.702 -10.622 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.582 -9.753 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.250 -11.441 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.166 -12.396 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.770 -13.284 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.114 -12.820 -5.244 1.00 0.00 H new ATOM 609 N GLU A 107 -7.193 -12.877 -1.790 1.00 0.00 N ATOM 610 CA GLU A 107 -6.206 -13.120 -0.744 1.00 0.00 C ATOM 611 C GLU A 107 -4.870 -13.547 -1.345 1.00 0.00 C ATOM 612 O GLU A 107 -4.807 -13.991 -2.492 1.00 0.00 O ATOM 613 CB GLU A 107 -6.710 -14.194 0.223 1.00 0.00 C ATOM 614 CG GLU A 107 -5.885 -14.303 1.494 1.00 0.00 C ATOM 615 CD GLU A 107 -6.675 -14.875 2.655 1.00 0.00 C ATOM 616 OE1 GLU A 107 -7.451 -14.118 3.274 1.00 0.00 O ATOM 617 OE2 GLU A 107 -6.517 -16.080 2.944 1.00 0.00 O ATOM 0 H GLU A 107 -7.563 -13.722 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.057 -12.189 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.744 -13.975 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.708 -15.158 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.016 -14.933 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.511 -13.316 1.765 1.00 0.00 H new ATOM 624 N TYR A 108 -3.805 -13.408 -0.563 1.00 0.00 N ATOM 625 CA TYR A 108 -2.470 -13.776 -1.018 1.00 0.00 C ATOM 626 C TYR A 108 -1.716 -14.539 0.067 1.00 0.00 C ATOM 627 O TYR A 108 -1.891 -14.280 1.257 1.00 0.00 O ATOM 628 CB TYR A 108 -1.684 -12.528 -1.421 1.00 0.00 C ATOM 629 CG TYR A 108 -2.265 -11.805 -2.615 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.347 -12.426 -3.856 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.732 -10.502 -2.503 1.00 0.00 C ATOM 632 CE1 TYR A 108 -2.876 -11.769 -4.949 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.265 -9.837 -3.591 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.334 -10.475 -4.812 1.00 0.00 C ATOM 635 OH TYR A 108 -3.863 -9.817 -5.899 1.00 0.00 O ATOM 0 H TYR A 108 -3.841 -13.043 0.389 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.576 -14.426 -1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.648 -11.843 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.656 -12.813 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.991 -13.440 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.678 -9.999 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.931 -12.266 -5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.625 -8.824 -3.486 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.282 -8.982 -5.604 1.00 0.00 H new ATOM 645 N GLU A 109 -0.875 -15.478 -0.355 1.00 0.00 N ATOM 646 CA GLU A 109 -0.094 -16.279 0.580 1.00 0.00 C ATOM 647 C GLU A 109 0.784 -15.389 1.456 1.00 0.00 C ATOM 648 O GLU A 109 1.379 -14.422 0.980 1.00 0.00 O ATOM 649 CB GLU A 109 0.776 -17.285 -0.177 1.00 0.00 C ATOM 650 CG GLU A 109 1.702 -18.087 0.722 1.00 0.00 C ATOM 651 CD GLU A 109 2.974 -18.513 0.016 1.00 0.00 C ATOM 652 OE1 GLU A 109 3.957 -17.744 0.049 1.00 0.00 O ATOM 653 OE2 GLU A 109 2.987 -19.616 -0.570 1.00 0.00 O ATOM 0 H GLU A 109 -0.717 -15.702 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.788 -16.821 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.130 -17.972 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.373 -16.752 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.959 -17.491 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.177 -18.972 1.082 1.00 0.00 H new ATOM 660 N LYS A 110 0.860 -15.723 2.740 1.00 0.00 N ATOM 661 CA LYS A 110 1.665 -14.957 3.684 1.00 0.00 C ATOM 662 C LYS A 110 3.142 -15.014 3.311 1.00 0.00 C ATOM 663 O LYS A 110 3.741 -16.089 3.266 1.00 0.00 O ATOM 664 CB LYS A 110 1.465 -15.489 5.105 1.00 0.00 C ATOM 665 CG LYS A 110 2.260 -14.732 6.155 1.00 0.00 C ATOM 666 CD LYS A 110 1.527 -13.483 6.615 1.00 0.00 C ATOM 667 CE LYS A 110 0.431 -13.816 7.615 1.00 0.00 C ATOM 668 NZ LYS A 110 -0.464 -12.652 7.866 1.00 0.00 N ATOM 0 H LYS A 110 0.373 -16.520 3.151 1.00 0.00 H new ATOM 0 HA LYS A 110 1.338 -13.918 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.406 -15.439 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.750 -16.541 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.446 -15.382 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.232 -14.455 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.236 -12.790 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.093 -12.977 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.159 -14.654 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.882 -14.137 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.197 -12.920 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.094 -11.861 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.914 -12.362 6.975 1.00 0.00 H new ATOM 682 N CYS A 111 3.726 -13.850 3.046 1.00 0.00 N ATOM 683 CA CYS A 111 5.135 -13.767 2.678 1.00 0.00 C ATOM 684 C CYS A 111 5.929 -13.008 3.736 1.00 0.00 C ATOM 685 O CYS A 111 5.799 -11.792 3.871 1.00 0.00 O ATOM 686 CB CYS A 111 5.288 -13.080 1.319 1.00 0.00 C ATOM 687 SG CYS A 111 7.001 -13.032 0.700 1.00 0.00 S ATOM 0 H CYS A 111 3.245 -12.951 3.079 1.00 0.00 H new ATOM 0 HA CYS A 111 5.529 -14.781 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.664 -13.597 0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.911 -12.060 1.395 1.00 0.00 H new ATOM 0 HG CYS A 111 7.147 -12.013 -0.094 1.00 0.00 H new ATOM 692 N GLU A 112 6.753 -13.735 4.484 1.00 0.00 N ATOM 693 CA GLU A 112 7.569 -13.130 5.531 1.00 0.00 C ATOM 694 C GLU A 112 8.741 -12.359 4.930 1.00 0.00 C ATOM 695 O GLU A 112 9.154 -11.327 5.459 1.00 0.00 O ATOM 696 CB GLU A 112 8.088 -14.204 6.489 1.00 0.00 C ATOM 697 CG GLU A 112 6.988 -14.920 7.255 1.00 0.00 C ATOM 698 CD GLU A 112 6.353 -14.045 8.318 1.00 0.00 C ATOM 699 OE1 GLU A 112 7.094 -13.516 9.172 1.00 0.00 O ATOM 700 OE2 GLU A 112 5.114 -13.889 8.294 1.00 0.00 O ATOM 0 H GLU A 112 6.873 -14.743 4.385 1.00 0.00 H new ATOM 0 HA GLU A 112 6.943 -12.431 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.661 -14.938 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.774 -13.744 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.220 -15.251 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.399 -15.814 7.724 1.00 0.00 H new ATOM 707 N ARG A 113 9.271 -12.868 3.824 1.00 0.00 N ATOM 708 CA ARG A 113 10.396 -12.230 3.152 1.00 0.00 C ATOM 709 C ARG A 113 10.151 -10.733 2.985 1.00 0.00 C ATOM 710 O ARG A 113 11.091 -9.955 2.818 1.00 0.00 O ATOM 711 CB ARG A 113 10.634 -12.874 1.785 1.00 0.00 C ATOM 712 CG ARG A 113 11.382 -14.195 1.855 1.00 0.00 C ATOM 713 CD ARG A 113 12.199 -14.440 0.597 1.00 0.00 C ATOM 714 NE ARG A 113 13.445 -13.678 0.596 1.00 0.00 N ATOM 715 CZ ARG A 113 14.111 -13.360 -0.509 1.00 0.00 C ATOM 716 NH1 ARG A 113 13.652 -13.735 -1.695 1.00 0.00 N ATOM 717 NH2 ARG A 113 15.238 -12.664 -0.429 1.00 0.00 N ATOM 0 H ARG A 113 8.939 -13.721 3.374 1.00 0.00 H new ATOM 0 HA ARG A 113 11.283 -12.369 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.673 -13.036 1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.196 -12.181 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.040 -14.196 2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.671 -15.010 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.424 -15.503 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 113 11.608 -14.169 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 113 13.825 -13.373 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.785 -14.269 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.165 -13.489 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.594 -12.373 0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.748 -12.421 -1.278 1.00 0.00 H new ATOM 731 N SER A 114 8.883 -10.337 3.031 1.00 0.00 N ATOM 732 CA SER A 114 8.514 -8.934 2.880 1.00 0.00 C ATOM 733 C SER A 114 9.214 -8.315 1.675 1.00 0.00 C ATOM 734 O SER A 114 9.789 -7.229 1.766 1.00 0.00 O ATOM 735 CB SER A 114 8.869 -8.153 4.147 1.00 0.00 C ATOM 736 OG SER A 114 7.854 -8.284 5.128 1.00 0.00 O ATOM 0 H SER A 114 8.094 -10.968 3.172 1.00 0.00 H new ATOM 0 HA SER A 114 7.437 -8.882 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.816 -8.515 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.009 -7.100 3.902 1.00 0.00 H new ATOM 0 HG SER A 114 8.105 -7.777 5.928 1.00 0.00 H new ATOM 742 N CYS A 115 9.162 -9.012 0.545 1.00 0.00 N ATOM 743 CA CYS A 115 9.790 -8.533 -0.680 1.00 0.00 C ATOM 744 C CYS A 115 9.670 -7.016 -0.796 1.00 0.00 C ATOM 745 O CYS A 115 8.669 -6.428 -0.386 1.00 0.00 O ATOM 746 CB CYS A 115 9.152 -9.201 -1.900 1.00 0.00 C ATOM 747 SG CYS A 115 8.898 -10.995 -1.718 1.00 0.00 S ATOM 0 H CYS A 115 8.691 -9.912 0.452 1.00 0.00 H new ATOM 0 HA CYS A 115 10.848 -8.794 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.191 -8.727 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.782 -9.021 -2.771 1.00 0.00 H new ATOM 0 HG CYS A 115 7.635 -11.270 -1.854 1.00 0.00 H new ATOM 752 N LYS A 116 10.698 -6.388 -1.357 1.00 0.00 N ATOM 753 CA LYS A 116 10.709 -4.941 -1.529 1.00 0.00 C ATOM 754 C LYS A 116 10.193 -4.553 -2.911 1.00 0.00 C ATOM 755 O LYS A 116 10.827 -4.847 -3.925 1.00 0.00 O ATOM 756 CB LYS A 116 12.124 -4.394 -1.329 1.00 0.00 C ATOM 757 CG LYS A 116 12.474 -4.128 0.125 1.00 0.00 C ATOM 758 CD LYS A 116 12.907 -5.400 0.836 1.00 0.00 C ATOM 759 CE LYS A 116 13.116 -5.163 2.323 1.00 0.00 C ATOM 760 NZ LYS A 116 14.458 -4.583 2.609 1.00 0.00 N ATOM 0 H LYS A 116 11.535 -6.860 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 116 10.048 -4.506 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.841 -5.104 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.230 -3.468 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.274 -3.390 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.611 -3.700 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.152 -6.173 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.831 -5.770 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.343 -4.491 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.006 -6.105 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.562 -4.436 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.196 -5.236 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.554 -3.672 2.117 1.00 0.00 H new ATOM 774 N ILE A 117 9.042 -3.890 -2.943 1.00 0.00 N ATOM 775 CA ILE A 117 8.444 -3.461 -4.201 1.00 0.00 C ATOM 776 C ILE A 117 9.195 -2.271 -4.789 1.00 0.00 C ATOM 777 O ILE A 117 8.940 -1.123 -4.424 1.00 0.00 O ATOM 778 CB ILE A 117 6.963 -3.079 -4.019 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.207 -4.205 -3.310 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.325 -2.773 -5.366 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.863 -5.367 -4.216 1.00 0.00 C ATOM 0 H ILE A 117 8.505 -3.638 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 117 8.512 -4.306 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 117 6.908 -2.183 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.811 -4.569 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.288 -3.802 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.279 -2.505 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.850 -1.942 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.388 -3.652 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.328 -6.127 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.233 -5.017 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.779 -5.796 -4.622 1.00 0.00 H new ATOM 793 N GLN A 118 10.119 -2.553 -5.701 1.00 0.00 N ATOM 794 CA GLN A 118 10.907 -1.505 -6.340 1.00 0.00 C ATOM 795 C GLN A 118 10.493 -1.325 -7.796 1.00 0.00 C ATOM 796 O GLN A 118 10.099 -2.282 -8.464 1.00 0.00 O ATOM 797 CB GLN A 118 12.398 -1.837 -6.258 1.00 0.00 C ATOM 798 CG GLN A 118 12.770 -3.140 -6.946 1.00 0.00 C ATOM 799 CD GLN A 118 14.033 -3.758 -6.381 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.035 -4.290 -5.270 1.00 0.00 O ATOM 801 NE2 GLN A 118 15.118 -3.692 -7.144 1.00 0.00 N ATOM 0 H GLN A 118 10.341 -3.498 -6.014 1.00 0.00 H new ATOM 0 HA GLN A 118 10.721 -0.571 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.968 -1.023 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.692 -1.892 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.947 -3.848 -6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.905 -2.958 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 118 15.072 -3.242 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.997 -4.091 -6.816 1.00 0.00 H new ATOM 810 N LYS A 119 10.584 -0.092 -8.284 1.00 0.00 N ATOM 811 CA LYS A 119 10.220 0.215 -9.662 1.00 0.00 C ATOM 812 C LYS A 119 10.839 -0.793 -10.626 1.00 0.00 C ATOM 813 O LYS A 119 10.147 -1.374 -11.462 1.00 0.00 O ATOM 814 CB LYS A 119 10.672 1.630 -10.028 1.00 0.00 C ATOM 815 CG LYS A 119 12.110 1.929 -9.639 1.00 0.00 C ATOM 816 CD LYS A 119 12.342 3.420 -9.465 1.00 0.00 C ATOM 817 CE LYS A 119 13.789 3.795 -9.748 1.00 0.00 C ATOM 818 NZ LYS A 119 14.633 3.711 -8.524 1.00 0.00 N ATOM 0 H LYS A 119 10.907 0.711 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 119 9.135 0.154 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.558 1.772 -11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.015 2.350 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.352 1.411 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.783 1.542 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.684 3.973 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.081 3.714 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.193 3.133 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.830 4.808 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.612 3.974 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.263 4.362 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.615 2.739 -8.156 1.00 0.00 H new ATOM 832 N LYS A 120 12.146 -0.997 -10.502 1.00 0.00 N ATOM 833 CA LYS A 120 12.859 -1.936 -11.360 1.00 0.00 C ATOM 834 C LYS A 120 12.062 -3.225 -11.535 1.00 0.00 C ATOM 835 O LYS A 120 11.778 -3.643 -12.656 1.00 0.00 O ATOM 836 CB LYS A 120 14.236 -2.251 -10.772 1.00 0.00 C ATOM 837 CG LYS A 120 15.338 -1.339 -11.282 1.00 0.00 C ATOM 838 CD LYS A 120 15.413 -0.051 -10.479 1.00 0.00 C ATOM 839 CE LYS A 120 16.326 0.968 -11.144 1.00 0.00 C ATOM 840 NZ LYS A 120 17.761 0.705 -10.846 1.00 0.00 N ATOM 0 H LYS A 120 12.733 -0.524 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 120 12.986 -1.472 -12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.185 -2.173 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.494 -3.284 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 120 16.295 -1.858 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.161 -1.105 -12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.414 0.370 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.778 -0.268 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.169 0.947 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.062 1.969 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.350 1.421 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.916 0.750 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.020 -0.240 -11.194 1.00 0.00 H new ATOM 854 N ASN A 121 11.704 -3.850 -10.418 1.00 0.00 N ATOM 855 CA ASN A 121 10.939 -5.092 -10.448 1.00 0.00 C ATOM 856 C ASN A 121 9.781 -5.042 -9.455 1.00 0.00 C ATOM 857 O ASN A 121 9.922 -5.452 -8.303 1.00 0.00 O ATOM 858 CB ASN A 121 11.846 -6.282 -10.133 1.00 0.00 C ATOM 859 CG ASN A 121 13.254 -6.094 -10.665 1.00 0.00 C ATOM 860 OD1 ASN A 121 13.449 -5.796 -11.843 1.00 0.00 O ATOM 861 ND2 ASN A 121 14.243 -6.266 -9.796 1.00 0.00 N ATOM 0 H ASN A 121 11.931 -3.517 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 121 10.529 -5.213 -11.451 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.885 -6.430 -9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 121 11.416 -7.187 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 121 15.211 -6.151 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 121 14.035 -6.513 -8.828 1.00 0.00 H new ATOM 868 N ARG A 122 8.639 -4.539 -9.911 1.00 0.00 N ATOM 869 CA ARG A 122 7.458 -4.435 -9.063 1.00 0.00 C ATOM 870 C ARG A 122 6.617 -5.706 -9.144 1.00 0.00 C ATOM 871 O ARG A 122 6.006 -6.122 -8.161 1.00 0.00 O ATOM 872 CB ARG A 122 6.615 -3.226 -9.471 1.00 0.00 C ATOM 873 CG ARG A 122 6.084 -3.305 -10.893 1.00 0.00 C ATOM 874 CD ARG A 122 5.601 -1.950 -11.384 1.00 0.00 C ATOM 875 NE ARG A 122 4.200 -1.713 -11.047 1.00 0.00 N ATOM 876 CZ ARG A 122 3.430 -0.834 -11.679 1.00 0.00 C ATOM 877 NH1 ARG A 122 3.923 -0.113 -12.677 1.00 0.00 N ATOM 878 NH2 ARG A 122 2.164 -0.676 -11.314 1.00 0.00 N ATOM 0 H ARG A 122 8.506 -4.197 -10.863 1.00 0.00 H new ATOM 0 HA ARG A 122 7.791 -4.305 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.775 -3.131 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.216 -2.323 -9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.867 -3.675 -11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.264 -4.022 -10.937 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.217 -1.165 -10.945 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.729 -1.889 -12.465 1.00 0.00 H new ATOM 0 HE ARG A 122 3.790 -2.252 -10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.895 -0.233 -12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.330 0.561 -13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.781 -1.230 -10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.574 -0.001 -11.800 1.00 0.00 H new ATOM 892 N ASN A 123 6.590 -6.317 -10.324 1.00 0.00 N ATOM 893 CA ASN A 123 5.823 -7.539 -10.535 1.00 0.00 C ATOM 894 C ASN A 123 6.605 -8.760 -10.061 1.00 0.00 C ATOM 895 O ASN A 123 6.984 -9.618 -10.860 1.00 0.00 O ATOM 896 CB ASN A 123 5.464 -7.692 -12.014 1.00 0.00 C ATOM 897 CG ASN A 123 4.507 -8.843 -12.261 1.00 0.00 C ATOM 898 OD1 ASN A 123 3.821 -9.301 -11.347 1.00 0.00 O ATOM 899 ND2 ASN A 123 4.458 -9.315 -13.501 1.00 0.00 N ATOM 0 H ASN A 123 7.091 -5.986 -11.149 1.00 0.00 H new ATOM 0 HA ASN A 123 4.905 -7.468 -9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.015 -6.766 -12.374 1.00 0.00 H new ATOM 0 HB3 ASN A 123 6.375 -7.850 -12.592 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.833 -10.089 -13.728 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.045 -8.904 -14.227 1.00 0.00 H new ATOM 906 N LYS A 124 6.843 -8.833 -8.756 1.00 0.00 N ATOM 907 CA LYS A 124 7.578 -9.950 -8.173 1.00 0.00 C ATOM 908 C LYS A 124 6.698 -10.735 -7.206 1.00 0.00 C ATOM 909 O LYS A 124 6.402 -11.909 -7.433 1.00 0.00 O ATOM 910 CB LYS A 124 8.826 -9.442 -7.446 1.00 0.00 C ATOM 911 CG LYS A 124 9.981 -9.117 -8.377 1.00 0.00 C ATOM 912 CD LYS A 124 11.317 -9.205 -7.658 1.00 0.00 C ATOM 913 CE LYS A 124 12.446 -9.542 -8.620 1.00 0.00 C ATOM 914 NZ LYS A 124 12.460 -10.989 -8.973 1.00 0.00 N ATOM 0 H LYS A 124 6.538 -8.132 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 124 7.881 -10.615 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.567 -8.549 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.150 -10.195 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.975 -9.807 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.851 -8.114 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.529 -8.257 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.263 -9.965 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.340 -8.948 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.400 -9.269 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.254 -11.182 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.570 -11.556 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.566 -11.241 -9.441 1.00 0.00 H new ATOM 928 N CYS A 125 6.280 -10.080 -6.128 1.00 0.00 N ATOM 929 CA CYS A 125 5.433 -10.716 -5.127 1.00 0.00 C ATOM 930 C CYS A 125 4.054 -10.062 -5.086 1.00 0.00 C ATOM 931 O CYS A 125 3.935 -8.839 -5.154 1.00 0.00 O ATOM 932 CB CYS A 125 6.089 -10.634 -3.747 1.00 0.00 C ATOM 933 SG CYS A 125 5.323 -11.712 -2.494 1.00 0.00 S ATOM 0 H CYS A 125 6.515 -9.108 -5.926 1.00 0.00 H new ATOM 0 HA CYS A 125 5.311 -11.763 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 125 7.143 -10.896 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 125 6.047 -9.602 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 125 5.468 -11.180 -1.317 1.00 0.00 H new ATOM 938 N GLN A 126 3.018 -10.887 -4.976 1.00 0.00 N ATOM 939 CA GLN A 126 1.648 -10.389 -4.927 1.00 0.00 C ATOM 940 C GLN A 126 1.287 -9.928 -3.519 1.00 0.00 C ATOM 941 O GLN A 126 0.845 -8.796 -3.320 1.00 0.00 O ATOM 942 CB GLN A 126 0.672 -11.473 -5.387 1.00 0.00 C ATOM 943 CG GLN A 126 0.508 -11.543 -6.897 1.00 0.00 C ATOM 944 CD GLN A 126 -0.145 -12.832 -7.354 1.00 0.00 C ATOM 945 OE1 GLN A 126 -1.371 -12.933 -7.415 1.00 0.00 O ATOM 946 NE2 GLN A 126 0.672 -13.827 -7.679 1.00 0.00 N ATOM 0 H GLN A 126 3.101 -11.902 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 126 1.574 -9.535 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.018 -12.440 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.302 -11.290 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.092 -10.697 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.486 -11.448 -7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.682 -13.700 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.290 -14.719 -7.994 1.00 0.00 H new ATOM 955 N TYR A 127 1.476 -10.811 -2.545 1.00 0.00 N ATOM 956 CA TYR A 127 1.167 -10.495 -1.156 1.00 0.00 C ATOM 957 C TYR A 127 1.828 -9.186 -0.735 1.00 0.00 C ATOM 958 O TYR A 127 1.151 -8.199 -0.447 1.00 0.00 O ATOM 959 CB TYR A 127 1.627 -11.629 -0.239 1.00 0.00 C ATOM 960 CG TYR A 127 1.423 -11.340 1.231 1.00 0.00 C ATOM 961 CD1 TYR A 127 2.371 -10.627 1.957 1.00 0.00 C ATOM 962 CD2 TYR A 127 0.285 -11.779 1.895 1.00 0.00 C ATOM 963 CE1 TYR A 127 2.189 -10.361 3.300 1.00 0.00 C ATOM 964 CE2 TYR A 127 0.095 -11.516 3.238 1.00 0.00 C ATOM 965 CZ TYR A 127 1.050 -10.807 3.936 1.00 0.00 C ATOM 966 OH TYR A 127 0.864 -10.544 5.274 1.00 0.00 O ATOM 0 H TYR A 127 1.842 -11.752 -2.692 1.00 0.00 H new ATOM 0 HA TYR A 127 0.087 -10.380 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.086 -12.538 -0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.684 -11.824 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 127 3.264 -10.275 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.465 -12.336 1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 127 2.935 -9.806 3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -0.797 -11.864 3.738 1.00 0.00 H new ATOM 0 HH TYR A 127 0.011 -10.927 5.567 1.00 0.00 H new ATOM 976 N CYS A 128 3.157 -9.186 -0.701 1.00 0.00 N ATOM 977 CA CYS A 128 3.912 -8.000 -0.316 1.00 0.00 C ATOM 978 C CYS A 128 3.391 -6.763 -1.043 1.00 0.00 C ATOM 979 O CYS A 128 3.219 -5.703 -0.441 1.00 0.00 O ATOM 980 CB CYS A 128 5.399 -8.195 -0.621 1.00 0.00 C ATOM 981 SG CYS A 128 6.229 -9.394 0.471 1.00 0.00 S ATOM 0 H CYS A 128 3.733 -9.995 -0.936 1.00 0.00 H new ATOM 0 HA CYS A 128 3.784 -7.851 0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.507 -8.525 -1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.905 -7.233 -0.539 1.00 0.00 H new ATOM 0 HG CYS A 128 5.710 -9.329 1.661 1.00 0.00 H new ATOM 986 N ARG A 129 3.143 -6.907 -2.341 1.00 0.00 N ATOM 987 CA ARG A 129 2.643 -5.803 -3.151 1.00 0.00 C ATOM 988 C ARG A 129 1.376 -5.211 -2.539 1.00 0.00 C ATOM 989 O ARG A 129 1.257 -3.994 -2.388 1.00 0.00 O ATOM 990 CB ARG A 129 2.360 -6.275 -4.578 1.00 0.00 C ATOM 991 CG ARG A 129 1.953 -5.155 -5.521 1.00 0.00 C ATOM 992 CD ARG A 129 2.007 -5.603 -6.973 1.00 0.00 C ATOM 993 NE ARG A 129 1.552 -4.557 -7.886 1.00 0.00 N ATOM 994 CZ ARG A 129 1.638 -4.647 -9.208 1.00 0.00 C ATOM 995 NH1 ARG A 129 2.158 -5.729 -9.770 1.00 0.00 N ATOM 996 NH2 ARG A 129 1.202 -3.653 -9.971 1.00 0.00 N ATOM 0 H ARG A 129 3.280 -7.778 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 129 3.410 -5.029 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.250 -6.765 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.568 -7.024 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.944 -4.823 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.613 -4.299 -5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.028 -5.887 -7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.388 -6.491 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 129 1.146 -3.711 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.493 -6.496 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.223 -5.795 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.801 -2.819 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.268 -3.723 -10.986 1.00 0.00 H new ATOM 1010 N PHE A 130 0.432 -6.078 -2.190 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.826 -5.641 -1.597 1.00 0.00 C ATOM 1012 C PHE A 130 -0.593 -5.023 -0.222 1.00 0.00 C ATOM 1013 O PHE A 130 -1.088 -3.936 0.073 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.796 -6.819 -1.482 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.090 -6.466 -0.806 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.936 -5.516 -1.355 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.460 -7.084 0.377 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.128 -5.189 -0.735 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.651 -6.761 1.000 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.485 -5.812 0.444 1.00 0.00 C ATOM 0 H PHE A 130 0.514 -7.088 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.262 -4.883 -2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.009 -7.202 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.313 -7.624 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.662 -5.026 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.811 -7.826 0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.779 -4.447 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.929 -7.251 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.415 -5.557 0.930 1.00 0.00 H new ATOM 1030 N GLN A 131 0.163 -5.726 0.616 1.00 0.00 N ATOM 1031 CA GLN A 131 0.460 -5.247 1.961 1.00 0.00 C ATOM 1032 C GLN A 131 0.952 -3.804 1.928 1.00 0.00 C ATOM 1033 O GLN A 131 0.494 -2.963 2.702 1.00 0.00 O ATOM 1034 CB GLN A 131 1.510 -6.141 2.623 1.00 0.00 C ATOM 1035 CG GLN A 131 0.965 -7.486 3.077 1.00 0.00 C ATOM 1036 CD GLN A 131 -0.304 -7.354 3.897 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -0.328 -6.666 4.918 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -1.367 -8.013 3.453 1.00 0.00 N ATOM 0 H GLN A 131 0.580 -6.628 0.387 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.460 -5.285 2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.328 -6.308 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 131 1.929 -5.619 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.766 -8.107 2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.723 -8.000 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.302 -8.571 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -2.249 -7.961 3.963 1.00 0.00 H new ATOM 1047 N LYS A 132 1.888 -3.523 1.028 1.00 0.00 N ATOM 1048 CA LYS A 132 2.443 -2.181 0.893 1.00 0.00 C ATOM 1049 C LYS A 132 1.332 -1.140 0.802 1.00 0.00 C ATOM 1050 O LYS A 132 1.360 -0.127 1.502 1.00 0.00 O ATOM 1051 CB LYS A 132 3.336 -2.099 -0.347 1.00 0.00 C ATOM 1052 CG LYS A 132 4.053 -0.768 -0.492 1.00 0.00 C ATOM 1053 CD LYS A 132 5.259 -0.881 -1.410 1.00 0.00 C ATOM 1054 CE LYS A 132 6.152 0.346 -1.311 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.120 0.238 -0.185 1.00 0.00 N ATOM 0 H LYS A 132 2.279 -4.207 0.380 1.00 0.00 H new ATOM 0 HA LYS A 132 3.042 -1.971 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.076 -2.898 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.728 -2.273 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.362 -0.023 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.373 -0.417 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.832 -1.771 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 132 4.923 -1.006 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.696 0.476 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.535 1.234 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.710 1.094 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 6.601 0.140 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.726 -0.595 -0.327 1.00 0.00 H new ATOM 1069 N CYS A 133 0.356 -1.397 -0.061 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.765 -0.481 -0.242 1.00 0.00 C ATOM 1071 C CYS A 133 -1.434 -0.170 1.093 1.00 0.00 C ATOM 1072 O CYS A 133 -1.676 0.992 1.423 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.787 -1.078 -1.211 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.197 -1.212 -2.915 1.00 0.00 S ATOM 0 H CYS A 133 0.318 -2.231 -0.646 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.379 0.449 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -2.071 -2.069 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.687 -0.464 -1.197 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.770 -2.225 -3.494 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.733 -1.215 1.857 1.00 0.00 N ATOM 1081 CA LEU A 134 -2.376 -1.055 3.156 1.00 0.00 C ATOM 1082 C LEU A 134 -1.488 -0.259 4.108 1.00 0.00 C ATOM 1083 O LEU A 134 -1.974 0.570 4.878 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.695 -2.422 3.762 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.619 -3.321 2.941 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -3.670 -4.720 3.535 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -5.016 -2.721 2.863 1.00 0.00 C ATOM 0 H LEU A 134 -1.540 -2.183 1.599 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.305 -0.505 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.757 -2.952 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -3.148 -2.266 4.741 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.219 -3.393 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.333 -5.345 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -2.669 -5.151 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -4.045 -4.668 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.660 -3.374 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.424 -2.618 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.965 -1.740 2.390 1.00 0.00 H new ATOM 1099 N ALA A 135 -0.186 -0.514 4.048 1.00 0.00 N ATOM 1100 CA ALA A 135 0.770 0.181 4.901 1.00 0.00 C ATOM 1101 C ALA A 135 0.825 1.668 4.565 1.00 0.00 C ATOM 1102 O ALA A 135 0.907 2.514 5.457 1.00 0.00 O ATOM 1103 CB ALA A 135 2.150 -0.444 4.766 1.00 0.00 C ATOM 0 H ALA A 135 0.232 -1.198 3.417 1.00 0.00 H new ATOM 0 HA ALA A 135 0.438 0.080 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.854 0.085 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.105 -1.492 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.481 -0.374 3.730 1.00 0.00 H new ATOM 1109 N LEU A 136 0.779 1.980 3.275 1.00 0.00 N ATOM 1110 CA LEU A 136 0.825 3.366 2.821 1.00 0.00 C ATOM 1111 C LEU A 136 -0.347 4.163 3.387 1.00 0.00 C ATOM 1112 O LEU A 136 -0.268 5.382 3.533 1.00 0.00 O ATOM 1113 CB LEU A 136 0.805 3.424 1.293 1.00 0.00 C ATOM 1114 CG LEU A 136 2.033 2.853 0.584 1.00 0.00 C ATOM 1115 CD1 LEU A 136 1.750 2.654 -0.897 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.235 3.765 0.781 1.00 0.00 C ATOM 0 H LEU A 136 0.710 1.293 2.525 1.00 0.00 H new ATOM 0 HA LEU A 136 1.752 3.811 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -0.076 2.887 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.686 4.464 0.990 1.00 0.00 H new ATOM 0 HG LEU A 136 2.263 1.882 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.635 2.247 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.918 1.961 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.494 3.612 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.100 3.343 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.015 4.750 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.452 3.856 1.845 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.432 3.464 3.707 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.603 4.123 4.255 1.00 0.00 C ATOM 1130 C GLY A 137 -3.718 4.263 3.238 1.00 0.00 C ATOM 1131 O GLY A 137 -4.583 5.129 3.371 1.00 0.00 O ATOM 0 H GLY A 137 -1.521 2.454 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.967 3.557 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.323 5.111 4.621 1.00 0.00 H new ATOM 1135 N MET A 138 -3.698 3.411 2.218 1.00 0.00 N ATOM 1136 CA MET A 138 -4.716 3.445 1.174 1.00 0.00 C ATOM 1137 C MET A 138 -6.080 3.051 1.732 1.00 0.00 C ATOM 1138 O MET A 138 -6.325 1.883 2.030 1.00 0.00 O ATOM 1139 CB MET A 138 -4.331 2.510 0.027 1.00 0.00 C ATOM 1140 CG MET A 138 -3.227 3.059 -0.861 1.00 0.00 C ATOM 1141 SD MET A 138 -2.817 1.953 -2.225 1.00 0.00 S ATOM 1142 CE MET A 138 -2.831 3.097 -3.604 1.00 0.00 C ATOM 0 H MET A 138 -2.989 2.689 2.092 1.00 0.00 H new ATOM 0 HA MET A 138 -4.779 4.465 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 138 -4.011 1.554 0.441 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.213 2.315 -0.583 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.535 4.025 -1.262 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.335 3.233 -0.259 1.00 0.00 H new ATOM 0 HE1 MET A 138 -2.968 2.545 -4.534 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.649 3.807 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.884 3.636 -3.639 1.00 0.00 H new ATOM 1152 N SER A 139 -6.964 4.034 1.870 1.00 0.00 N ATOM 1153 CA SER A 139 -8.302 3.790 2.396 1.00 0.00 C ATOM 1154 C SER A 139 -9.062 2.806 1.511 1.00 0.00 C ATOM 1155 O SER A 139 -9.296 3.068 0.331 1.00 0.00 O ATOM 1156 CB SER A 139 -9.079 5.104 2.501 1.00 0.00 C ATOM 1157 OG SER A 139 -10.114 5.009 3.465 1.00 0.00 O ATOM 0 H SER A 139 -6.778 5.006 1.625 1.00 0.00 H new ATOM 0 HA SER A 139 -8.201 3.355 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.399 5.912 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.504 5.357 1.530 1.00 0.00 H new ATOM 0 HG SER A 139 -10.594 5.862 3.514 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.446 1.673 2.091 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.181 0.649 1.357 1.00 0.00 C ATOM 1165 C HIS A 140 -11.666 0.992 1.285 1.00 0.00 C ATOM 1166 O HIS A 140 -12.270 0.954 0.214 1.00 0.00 O ATOM 1167 CB HIS A 140 -9.992 -0.716 2.018 1.00 0.00 C ATOM 1168 CG HIS A 140 -10.705 -0.852 3.327 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -10.304 -0.200 4.474 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -11.802 -1.568 3.668 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -11.121 -0.511 5.464 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -12.040 -1.340 5.001 1.00 0.00 N ATOM 0 H HIS A 140 -9.260 1.441 3.067 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.786 0.610 0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.346 -1.491 1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -8.927 -0.891 2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -12.382 -2.201 3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -11.050 -0.149 6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -12.802 -1.745 5.545 1.00 0.00 H new