USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 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 9 TYR OH : rot -134:sc= 0.203 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.044 X(o=0.16,f=0.033) USER MOD Set 2.1: A 21 CYS SG : rot 151:sc= 0.853 USER MOD Set 2.2: A 24 CYS SG : rot -53:sc= 0.669 USER MOD Set 2.3: A 53 HIS : no HD1:sc= 0.204 K(o=3.7,f=3) USER MOD Set 2.4: A 56 CYS SG : rot 137:sc= 0.519 USER MOD Set 2.5: A 59 LYS NZ :NH3+ 138:sc= 1.44 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.906) USER MOD Single : A 13 TYR OH : rot -16:sc= 1.79 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 0.735 (180deg=0.56) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -177:sc= -0.0771 (180deg=-0.124) USER MOD Single : A 38 MET CE :methyl 156:sc= -1.19 (180deg=-2.32!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 SER OG : rot 166:sc= 0.872 USER MOD Single : A 43 MET CE :methyl 133:sc= 0 (180deg=-0.952) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.065) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0726 F(o=-0.78,f=-0.073) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00723 USER MOD Single : A 82 GLN : amide:sc= 1.04 K(o=1,f=-0.39) USER MOD Single : A 83 GLN : amide:sc= 0.735 K(o=0.73,f=-0.053) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= 1.28 (180deg=0.531) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 88:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -4.574 -5.208 11.556 1.00 0.00 N ATOM 80 CA LYS A 7 -4.752 -4.877 10.143 1.00 0.00 C ATOM 81 C LYS A 7 -3.705 -5.661 9.356 1.00 0.00 C ATOM 82 O LYS A 7 -2.639 -5.988 9.876 1.00 0.00 O ATOM 83 CB LYS A 7 -4.686 -3.354 9.879 1.00 0.00 C ATOM 84 CG LYS A 7 -4.062 -2.471 10.971 1.00 0.00 C ATOM 85 CD LYS A 7 -2.561 -2.716 11.171 1.00 0.00 C ATOM 86 CE LYS A 7 -2.046 -1.833 12.314 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.568 -1.707 12.284 1.00 0.00 N ATOM 0 HA LYS A 7 -5.751 -5.164 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.125 -3.196 8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.701 -3.000 9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.220 -1.423 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.580 -2.651 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.381 -3.766 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.020 -2.492 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.498 -0.844 12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.356 -2.256 13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.222 -1.458 13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.148 -2.612 11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.297 -0.963 11.610 1.00 0.00 H new ATOM 101 N LEU A 8 -4.029 -5.986 8.112 1.00 0.00 N ATOM 102 CA LEU A 8 -3.223 -6.827 7.228 1.00 0.00 C ATOM 103 C LEU A 8 -2.612 -6.046 6.062 1.00 0.00 C ATOM 104 O LEU A 8 -1.769 -6.598 5.357 1.00 0.00 O ATOM 105 CB LEU A 8 -4.025 -8.069 6.797 1.00 0.00 C ATOM 106 CG LEU A 8 -5.278 -7.827 5.932 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.681 -9.150 5.283 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.490 -7.314 6.719 1.00 0.00 C ATOM 0 H LEU A 8 -4.890 -5.661 7.672 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.360 -7.185 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.356 -8.730 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.332 -8.603 7.696 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.009 -7.059 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.567 -8.998 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.864 -9.514 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.900 -9.884 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.330 -7.169 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.763 -8.042 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.240 -6.366 7.195 1.00 0.00 H new ATOM 120 N TYR A 9 -2.970 -4.768 5.894 1.00 0.00 N ATOM 121 CA TYR A 9 -2.484 -3.907 4.819 1.00 0.00 C ATOM 122 C TYR A 9 -1.958 -2.586 5.391 1.00 0.00 C ATOM 123 O TYR A 9 -2.296 -2.176 6.503 1.00 0.00 O ATOM 124 CB TYR A 9 -3.586 -3.673 3.768 1.00 0.00 C ATOM 125 CG TYR A 9 -4.290 -4.916 3.243 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.543 -6.009 2.772 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.696 -4.974 3.213 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.186 -7.167 2.293 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.348 -6.129 2.739 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.596 -7.234 2.282 1.00 0.00 C ATOM 131 OH TYR A 9 -6.226 -8.363 1.849 1.00 0.00 O ATOM 0 H TYR A 9 -3.622 -4.295 6.520 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.655 -4.406 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.337 -3.011 4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.146 -3.146 2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.464 -5.961 2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.277 -4.130 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.602 -8.002 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.427 -6.170 2.725 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.956 -8.118 1.243 1.00 0.00 H new ATOM 141 N ARG A 10 -1.116 -1.913 4.614 1.00 0.00 N ATOM 142 CA ARG A 10 -0.412 -0.675 4.951 1.00 0.00 C ATOM 143 C ARG A 10 -0.312 0.191 3.693 1.00 0.00 C ATOM 144 O ARG A 10 -0.171 -0.351 2.601 1.00 0.00 O ATOM 145 CB ARG A 10 0.959 -1.066 5.548 1.00 0.00 C ATOM 146 CG ARG A 10 2.046 0.021 5.602 1.00 0.00 C ATOM 147 CD ARG A 10 1.721 1.180 6.553 1.00 0.00 C ATOM 148 NE ARG A 10 1.768 0.782 7.975 1.00 0.00 N ATOM 149 CZ ARG A 10 2.819 0.747 8.770 1.00 0.00 C ATOM 150 NH1 ARG A 10 4.031 0.996 8.358 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.647 0.457 10.022 1.00 0.00 N ATOM 0 H ARG A 10 -0.891 -2.235 3.673 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.939 -0.079 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.793 -1.427 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.350 -1.904 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.987 -0.435 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.198 0.419 4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.428 1.992 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.729 1.567 6.321 1.00 0.00 H new ATOM 0 HE ARG A 10 0.881 0.500 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.199 1.231 7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.811 0.956 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.711 0.261 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.448 0.425 10.653 1.00 0.00 H new ATOM 165 N VAL A 11 -0.377 1.513 3.824 1.00 0.00 N ATOM 166 CA VAL A 11 -0.122 2.490 2.751 1.00 0.00 C ATOM 167 C VAL A 11 0.617 3.718 3.294 1.00 0.00 C ATOM 168 O VAL A 11 0.392 4.125 4.434 1.00 0.00 O ATOM 169 CB VAL A 11 -1.449 2.876 2.069 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.319 3.822 2.905 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.227 3.560 0.716 1.00 0.00 C ATOM 0 H VAL A 11 -0.617 1.957 4.710 1.00 0.00 H new ATOM 0 HA VAL A 11 0.525 2.035 2.001 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.963 1.923 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.236 4.049 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.568 3.345 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.772 4.745 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.191 3.813 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.643 4.469 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.689 2.885 0.051 1.00 0.00 H new ATOM 181 N GLU A 12 1.494 4.322 2.492 1.00 0.00 N ATOM 182 CA GLU A 12 2.121 5.614 2.808 1.00 0.00 C ATOM 183 C GLU A 12 2.600 6.380 1.571 1.00 0.00 C ATOM 184 O GLU A 12 2.873 5.807 0.511 1.00 0.00 O ATOM 185 CB GLU A 12 3.296 5.435 3.798 1.00 0.00 C ATOM 186 CG GLU A 12 4.531 4.744 3.192 1.00 0.00 C ATOM 187 CD GLU A 12 5.725 4.656 4.163 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.537 4.606 5.403 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.876 4.622 3.664 1.00 0.00 O ATOM 0 H GLU A 12 1.794 3.930 1.599 1.00 0.00 H new ATOM 0 HA GLU A 12 1.338 6.213 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.590 6.414 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.951 4.853 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.256 3.738 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.839 5.287 2.298 1.00 0.00 H new ATOM 196 N TYR A 13 2.789 7.684 1.761 1.00 0.00 N ATOM 197 CA TYR A 13 3.705 8.480 0.951 1.00 0.00 C ATOM 198 C TYR A 13 5.154 8.164 1.344 1.00 0.00 C ATOM 199 O TYR A 13 5.528 8.234 2.517 1.00 0.00 O ATOM 200 CB TYR A 13 3.390 9.970 1.135 1.00 0.00 C ATOM 201 CG TYR A 13 1.998 10.433 0.730 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.227 9.719 -0.212 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.497 11.634 1.271 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.005 10.245 -0.671 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.258 12.146 0.840 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.473 11.467 -0.156 1.00 0.00 C ATOM 207 OH TYR A 13 -1.629 11.998 -0.623 1.00 0.00 O ATOM 0 H TYR A 13 2.309 8.219 2.484 1.00 0.00 H new ATOM 0 HA TYR A 13 3.579 8.231 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.539 10.221 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.119 10.544 0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.576 8.766 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.066 12.164 2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.566 9.713 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.131 13.056 1.271 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.870 11.565 -1.468 1.00 0.00 H new ATOM 217 N ALA A 14 5.974 7.812 0.357 1.00 0.00 N ATOM 218 CA ALA A 14 7.361 7.410 0.542 1.00 0.00 C ATOM 219 C ALA A 14 8.256 8.608 0.917 1.00 0.00 C ATOM 220 O ALA A 14 8.452 9.519 0.108 1.00 0.00 O ATOM 221 CB ALA A 14 7.808 6.719 -0.751 1.00 0.00 C ATOM 0 H ALA A 14 5.681 7.799 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 14 7.454 6.717 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.846 6.401 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.178 5.849 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.718 7.415 -1.585 1.00 0.00 H new ATOM 227 N LYS A 15 8.828 8.597 2.129 1.00 0.00 N ATOM 228 CA LYS A 15 9.727 9.654 2.639 1.00 0.00 C ATOM 229 C LYS A 15 11.193 9.456 2.220 1.00 0.00 C ATOM 230 O LYS A 15 11.921 10.434 2.037 1.00 0.00 O ATOM 231 CB LYS A 15 9.563 9.718 4.172 1.00 0.00 C ATOM 232 CG LYS A 15 10.318 10.865 4.872 1.00 0.00 C ATOM 233 CD LYS A 15 9.941 12.286 4.416 1.00 0.00 C ATOM 234 CE LYS A 15 8.454 12.593 4.641 1.00 0.00 C ATOM 235 NZ LYS A 15 8.124 13.998 4.287 1.00 0.00 N ATOM 0 H LYS A 15 8.679 7.842 2.798 1.00 0.00 H new ATOM 0 HA LYS A 15 9.443 10.607 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.502 9.810 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.900 8.772 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.143 10.789 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.387 10.723 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.546 13.012 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.178 12.401 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.847 11.914 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.199 12.411 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.111 14.169 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.685 14.645 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.344 14.164 3.284 1.00 0.00 H new ATOM 249 N SER A 16 11.614 8.203 2.041 1.00 0.00 N ATOM 250 CA SER A 16 12.972 7.803 1.643 1.00 0.00 C ATOM 251 C SER A 16 12.964 6.497 0.836 1.00 0.00 C ATOM 252 O SER A 16 12.048 5.676 0.971 1.00 0.00 O ATOM 253 CB SER A 16 13.857 7.664 2.888 1.00 0.00 C ATOM 254 OG SER A 16 15.215 7.554 2.499 1.00 0.00 O ATOM 0 H SER A 16 10.995 7.403 2.174 1.00 0.00 H new ATOM 0 HA SER A 16 13.380 8.580 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.724 8.528 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.560 6.785 3.461 1.00 0.00 H new ATOM 0 HG SER A 16 15.778 7.467 3.297 1.00 0.00 H new ATOM 260 N GLY A 17 13.994 6.286 0.011 1.00 0.00 N ATOM 261 CA GLY A 17 14.229 5.069 -0.780 1.00 0.00 C ATOM 262 C GLY A 17 14.744 3.901 0.071 1.00 0.00 C ATOM 263 O GLY A 17 15.876 3.446 -0.107 1.00 0.00 O ATOM 0 H GLY A 17 14.720 6.988 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.301 4.775 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.951 5.286 -1.567 1.00 0.00 H new ATOM 267 N ARG A 18 13.936 3.475 1.051 1.00 0.00 N ATOM 268 CA ARG A 18 14.265 2.471 2.084 1.00 0.00 C ATOM 269 C ARG A 18 13.191 1.382 2.255 1.00 0.00 C ATOM 270 O ARG A 18 13.157 0.692 3.275 1.00 0.00 O ATOM 271 CB ARG A 18 14.616 3.191 3.407 1.00 0.00 C ATOM 272 CG ARG A 18 15.870 4.082 3.329 1.00 0.00 C ATOM 273 CD ARG A 18 17.145 3.267 3.074 1.00 0.00 C ATOM 274 NE ARG A 18 18.338 4.128 2.971 1.00 0.00 N ATOM 275 CZ ARG A 18 19.001 4.443 1.869 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.575 4.155 0.674 1.00 0.00 N ATOM 277 NH2 ARG A 18 20.142 5.058 1.955 1.00 0.00 N ATOM 0 H ARG A 18 12.988 3.836 1.154 1.00 0.00 H new ATOM 0 HA ARG A 18 15.141 1.918 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.767 3.804 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.764 2.443 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.744 4.815 2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.977 4.639 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.284 2.549 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.031 2.693 2.154 1.00 0.00 H new ATOM 0 HE ARG A 18 18.690 4.523 3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.690 3.663 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.126 4.421 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.525 5.297 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.655 5.302 1.108 1.00 0.00 H new ATOM 291 N ALA A 19 12.342 1.203 1.242 1.00 0.00 N ATOM 292 CA ALA A 19 11.451 0.053 1.091 1.00 0.00 C ATOM 293 C ALA A 19 11.668 -0.608 -0.281 1.00 0.00 C ATOM 294 O ALA A 19 11.817 0.080 -1.291 1.00 0.00 O ATOM 295 CB ALA A 19 9.995 0.487 1.291 1.00 0.00 C ATOM 0 H ALA A 19 12.253 1.876 0.480 1.00 0.00 H new ATOM 0 HA ALA A 19 11.683 -0.689 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.339 -0.376 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.874 0.905 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.735 1.241 0.548 1.00 0.00 H new ATOM 301 N SER A 20 11.660 -1.940 -0.311 1.00 0.00 N ATOM 302 CA SER A 20 11.934 -2.754 -1.502 1.00 0.00 C ATOM 303 C SER A 20 10.680 -3.492 -1.955 1.00 0.00 C ATOM 304 O SER A 20 9.960 -4.053 -1.127 1.00 0.00 O ATOM 305 CB SER A 20 13.070 -3.752 -1.253 1.00 0.00 C ATOM 306 OG SER A 20 14.269 -3.073 -0.907 1.00 0.00 O ATOM 0 H SER A 20 11.457 -2.502 0.515 1.00 0.00 H new ATOM 0 HA SER A 20 12.248 -2.074 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.790 -4.437 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.233 -4.355 -2.146 1.00 0.00 H new ATOM 0 HG SER A 20 14.982 -3.727 -0.750 1.00 0.00 H new ATOM 312 N CYS A 21 10.429 -3.501 -3.263 1.00 0.00 N ATOM 313 CA CYS A 21 9.238 -4.107 -3.854 1.00 0.00 C ATOM 314 C CYS A 21 9.356 -5.638 -3.925 1.00 0.00 C ATOM 315 O CYS A 21 10.261 -6.191 -4.557 1.00 0.00 O ATOM 316 CB CYS A 21 8.992 -3.474 -5.219 1.00 0.00 C ATOM 317 SG CYS A 21 7.376 -4.009 -5.896 1.00 0.00 S ATOM 0 H CYS A 21 11.055 -3.082 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 21 8.374 -3.911 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.014 -2.388 -5.131 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.791 -3.755 -5.905 1.00 0.00 H new ATOM 0 HG CYS A 21 6.895 -3.074 -6.660 1.00 0.00 H new ATOM 322 N LYS A 22 8.417 -6.328 -3.277 1.00 0.00 N ATOM 323 CA LYS A 22 8.381 -7.798 -3.159 1.00 0.00 C ATOM 324 C LYS A 22 7.847 -8.500 -4.416 1.00 0.00 C ATOM 325 O LYS A 22 7.997 -9.716 -4.548 1.00 0.00 O ATOM 326 CB LYS A 22 7.517 -8.155 -1.937 1.00 0.00 C ATOM 327 CG LYS A 22 8.020 -7.577 -0.613 1.00 0.00 C ATOM 328 CD LYS A 22 9.091 -8.482 -0.005 1.00 0.00 C ATOM 329 CE LYS A 22 9.635 -7.866 1.285 1.00 0.00 C ATOM 330 NZ LYS A 22 10.699 -8.712 1.887 1.00 0.00 N ATOM 0 H LYS A 22 7.636 -5.873 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 22 9.404 -8.153 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.501 -7.801 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.466 -9.240 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.429 -6.580 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.188 -7.470 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.671 -9.466 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.903 -8.626 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.033 -6.873 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.822 -7.739 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.046 -8.265 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.312 -9.651 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.485 -8.812 1.214 1.00 0.00 H new ATOM 344 N LYS A 23 7.224 -7.742 -5.326 1.00 0.00 N ATOM 345 CA LYS A 23 6.561 -8.239 -6.551 1.00 0.00 C ATOM 346 C LYS A 23 7.419 -8.073 -7.811 1.00 0.00 C ATOM 347 O LYS A 23 7.606 -9.059 -8.526 1.00 0.00 O ATOM 348 CB LYS A 23 5.173 -7.586 -6.682 1.00 0.00 C ATOM 349 CG LYS A 23 4.366 -7.947 -7.943 1.00 0.00 C ATOM 350 CD LYS A 23 4.123 -9.457 -8.108 1.00 0.00 C ATOM 351 CE LYS A 23 3.171 -9.718 -9.282 1.00 0.00 C ATOM 352 NZ LYS A 23 2.938 -11.173 -9.491 1.00 0.00 N ATOM 0 H LYS A 23 7.162 -6.728 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 23 6.429 -9.317 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.582 -7.859 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.300 -6.504 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.405 -7.435 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.894 -7.574 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.070 -9.968 -8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.701 -9.867 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.219 -9.220 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.586 -9.282 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.290 -11.309 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.843 -11.644 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.518 -11.584 -8.633 1.00 0.00 H new ATOM 366 N CYS A 24 7.951 -6.873 -8.073 1.00 0.00 N ATOM 367 CA CYS A 24 8.790 -6.597 -9.253 1.00 0.00 C ATOM 368 C CYS A 24 10.311 -6.533 -8.960 1.00 0.00 C ATOM 369 O CYS A 24 11.121 -6.343 -9.874 1.00 0.00 O ATOM 370 CB CYS A 24 8.208 -5.425 -10.067 1.00 0.00 C ATOM 371 SG CYS A 24 8.560 -3.772 -9.359 1.00 0.00 S ATOM 0 H CYS A 24 7.813 -6.061 -7.472 1.00 0.00 H new ATOM 0 HA CYS A 24 8.741 -7.468 -9.907 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.608 -5.467 -11.080 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.128 -5.552 -10.145 1.00 0.00 H new ATOM 0 HG CYS A 24 8.194 -3.747 -8.112 1.00 0.00 H new ATOM 376 N SER A 25 10.707 -6.779 -7.703 1.00 0.00 N ATOM 377 CA SER A 25 12.099 -6.907 -7.227 1.00 0.00 C ATOM 378 C SER A 25 12.980 -5.659 -7.424 1.00 0.00 C ATOM 379 O SER A 25 14.210 -5.749 -7.452 1.00 0.00 O ATOM 380 CB SER A 25 12.763 -8.188 -7.761 1.00 0.00 C ATOM 381 OG SER A 25 11.987 -9.336 -7.442 1.00 0.00 O ATOM 0 H SER A 25 10.032 -6.901 -6.948 1.00 0.00 H new ATOM 0 HA SER A 25 12.016 -6.994 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.884 -8.116 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.761 -8.289 -7.335 1.00 0.00 H new ATOM 0 HG SER A 25 12.429 -10.137 -7.793 1.00 0.00 H new ATOM 387 N GLU A 26 12.364 -4.482 -7.543 1.00 0.00 N ATOM 388 CA GLU A 26 13.014 -3.164 -7.511 1.00 0.00 C ATOM 389 C GLU A 26 12.995 -2.562 -6.092 1.00 0.00 C ATOM 390 O GLU A 26 12.463 -3.152 -5.154 1.00 0.00 O ATOM 391 CB GLU A 26 12.326 -2.234 -8.532 1.00 0.00 C ATOM 392 CG GLU A 26 12.582 -2.622 -9.996 1.00 0.00 C ATOM 393 CD GLU A 26 14.010 -2.249 -10.440 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.970 -2.972 -10.075 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.177 -1.228 -11.149 1.00 0.00 O ATOM 0 H GLU A 26 11.354 -4.415 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 26 14.062 -3.276 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.252 -2.239 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.673 -1.213 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.430 -3.694 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.858 -2.120 -10.638 1.00 0.00 H new ATOM 402 N SER A 27 13.560 -1.367 -5.921 1.00 0.00 N ATOM 403 CA SER A 27 13.332 -0.517 -4.750 1.00 0.00 C ATOM 404 C SER A 27 12.294 0.552 -5.063 1.00 0.00 C ATOM 405 O SER A 27 12.026 0.849 -6.233 1.00 0.00 O ATOM 406 CB SER A 27 14.639 0.084 -4.267 1.00 0.00 C ATOM 407 OG SER A 27 14.477 0.774 -3.047 1.00 0.00 O ATOM 0 H SER A 27 14.199 -0.955 -6.601 1.00 0.00 H new ATOM 0 HA SER A 27 12.936 -1.129 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.379 -0.707 -4.142 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.027 0.767 -5.023 1.00 0.00 H new ATOM 0 HG SER A 27 15.338 1.146 -2.765 1.00 0.00 H new ATOM 413 N ILE A 28 11.671 1.093 -4.018 1.00 0.00 N ATOM 414 CA ILE A 28 10.537 2.003 -4.119 1.00 0.00 C ATOM 415 C ILE A 28 10.989 3.438 -3.754 1.00 0.00 C ATOM 416 O ILE A 28 11.313 3.689 -2.588 1.00 0.00 O ATOM 417 CB ILE A 28 9.370 1.505 -3.235 1.00 0.00 C ATOM 418 CG1 ILE A 28 8.984 0.026 -3.495 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.157 2.410 -3.511 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.123 -0.574 -2.375 1.00 0.00 C ATOM 0 H ILE A 28 11.949 0.905 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 28 10.168 2.026 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 28 9.690 1.554 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.442 -0.042 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.892 -0.567 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.314 2.085 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.408 3.441 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.888 2.346 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.885 -1.610 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.672 -0.536 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.200 -0.003 -2.280 1.00 0.00 H new ATOM 432 N PRO A 29 11.022 4.387 -4.713 1.00 0.00 N ATOM 433 CA PRO A 29 11.560 5.736 -4.524 1.00 0.00 C ATOM 434 C PRO A 29 10.654 6.639 -3.674 1.00 0.00 C ATOM 435 O PRO A 29 9.442 6.423 -3.572 1.00 0.00 O ATOM 436 CB PRO A 29 11.745 6.305 -5.936 1.00 0.00 C ATOM 437 CG PRO A 29 10.635 5.619 -6.726 1.00 0.00 C ATOM 438 CD PRO A 29 10.577 4.232 -6.089 1.00 0.00 C ATOM 0 HA PRO A 29 12.497 5.694 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.641 7.390 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.731 6.073 -6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.686 6.147 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.868 5.567 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.564 3.831 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.217 3.532 -6.626 1.00 0.00 H new ATOM 446 N LYS A 30 11.250 7.684 -3.084 1.00 0.00 N ATOM 447 CA LYS A 30 10.535 8.736 -2.342 1.00 0.00 C ATOM 448 C LYS A 30 9.680 9.647 -3.236 1.00 0.00 C ATOM 449 O LYS A 30 9.825 9.655 -4.459 1.00 0.00 O ATOM 450 CB LYS A 30 11.505 9.517 -1.444 1.00 0.00 C ATOM 451 CG LYS A 30 12.563 10.350 -2.189 1.00 0.00 C ATOM 452 CD LYS A 30 13.429 11.147 -1.201 1.00 0.00 C ATOM 453 CE LYS A 30 12.657 12.326 -0.585 1.00 0.00 C ATOM 454 NZ LYS A 30 13.196 12.696 0.748 1.00 0.00 N ATOM 0 H LYS A 30 12.260 7.826 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 30 9.812 8.237 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.926 10.183 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.017 8.811 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.196 9.692 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.072 11.033 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.776 10.486 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.315 11.521 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.713 13.186 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.603 12.063 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.862 13.647 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.868 12.010 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.235 12.691 0.716 1.00 0.00 H new ATOM 468 N ASP A 31 8.783 10.411 -2.607 1.00 0.00 N ATOM 469 CA ASP A 31 7.766 11.258 -3.255 1.00 0.00 C ATOM 470 C ASP A 31 6.840 10.466 -4.210 1.00 0.00 C ATOM 471 O ASP A 31 6.486 10.919 -5.303 1.00 0.00 O ATOM 472 CB ASP A 31 8.397 12.526 -3.865 1.00 0.00 C ATOM 473 CG ASP A 31 9.086 13.398 -2.804 1.00 0.00 C ATOM 474 OD1 ASP A 31 8.372 14.035 -1.992 1.00 0.00 O ATOM 475 OD2 ASP A 31 10.338 13.465 -2.785 1.00 0.00 O ATOM 0 H ASP A 31 8.740 10.462 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 31 7.088 11.615 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.124 12.239 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.625 13.109 -4.367 1.00 0.00 H new ATOM 480 N SER A 32 6.454 9.259 -3.781 1.00 0.00 N ATOM 481 CA SER A 32 5.548 8.332 -4.474 1.00 0.00 C ATOM 482 C SER A 32 4.641 7.603 -3.466 1.00 0.00 C ATOM 483 O SER A 32 4.859 7.692 -2.256 1.00 0.00 O ATOM 484 CB SER A 32 6.371 7.337 -5.301 1.00 0.00 C ATOM 485 OG SER A 32 5.526 6.638 -6.201 1.00 0.00 O ATOM 0 H SER A 32 6.783 8.881 -2.893 1.00 0.00 H new ATOM 0 HA SER A 32 4.902 8.896 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.147 7.866 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.875 6.632 -4.640 1.00 0.00 H new ATOM 0 HG SER A 32 6.059 6.006 -6.727 1.00 0.00 H new ATOM 491 N LEU A 33 3.621 6.886 -3.943 1.00 0.00 N ATOM 492 CA LEU A 33 2.669 6.125 -3.127 1.00 0.00 C ATOM 493 C LEU A 33 3.070 4.639 -3.103 1.00 0.00 C ATOM 494 O LEU A 33 3.349 4.047 -4.150 1.00 0.00 O ATOM 495 CB LEU A 33 1.253 6.359 -3.691 1.00 0.00 C ATOM 496 CG LEU A 33 0.112 5.716 -2.879 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.095 6.383 -1.521 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.204 5.842 -3.645 1.00 0.00 C ATOM 0 H LEU A 33 3.428 6.816 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 33 2.679 6.462 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.075 7.433 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.216 5.973 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 33 0.397 4.675 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.911 5.889 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.819 6.302 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.341 7.435 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.007 5.386 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.429 6.896 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.116 5.335 -4.606 1.00 0.00 H new ATOM 510 N ARG A 34 3.084 4.025 -1.915 1.00 0.00 N ATOM 511 CA ARG A 34 3.480 2.623 -1.707 1.00 0.00 C ATOM 512 C ARG A 34 2.634 1.934 -0.643 1.00 0.00 C ATOM 513 O ARG A 34 2.086 2.589 0.241 1.00 0.00 O ATOM 514 CB ARG A 34 4.994 2.532 -1.441 1.00 0.00 C ATOM 515 CG ARG A 34 5.529 3.203 -0.163 1.00 0.00 C ATOM 516 CD ARG A 34 7.053 3.000 -0.093 1.00 0.00 C ATOM 517 NE ARG A 34 7.666 3.653 1.079 1.00 0.00 N ATOM 518 CZ ARG A 34 8.904 4.097 1.201 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.798 4.040 0.256 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.260 4.652 2.316 1.00 0.00 N ATOM 0 H ARG A 34 2.815 4.497 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 34 3.280 2.068 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.268 1.477 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.513 2.969 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.290 4.267 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.051 2.773 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.271 1.932 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.509 3.393 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 34 7.062 3.776 1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.559 3.633 -0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.737 4.403 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.589 4.739 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.211 5.001 2.431 1.00 0.00 H new ATOM 534 N MET A 35 2.516 0.614 -0.752 1.00 0.00 N ATOM 535 CA MET A 35 1.661 -0.240 0.075 1.00 0.00 C ATOM 536 C MET A 35 2.439 -1.426 0.636 1.00 0.00 C ATOM 537 O MET A 35 3.422 -1.864 0.051 1.00 0.00 O ATOM 538 CB MET A 35 0.426 -0.716 -0.711 1.00 0.00 C ATOM 539 CG MET A 35 -0.593 0.410 -0.899 1.00 0.00 C ATOM 540 SD MET A 35 -2.163 -0.045 -1.688 1.00 0.00 S ATOM 541 CE MET A 35 -2.947 -0.972 -0.337 1.00 0.00 C ATOM 0 H MET A 35 3.037 0.084 -1.451 1.00 0.00 H new ATOM 0 HA MET A 35 1.314 0.359 0.917 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.737 -1.092 -1.686 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.043 -1.547 -0.184 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.814 0.838 0.079 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.127 1.196 -1.493 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.904 -1.370 -0.676 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.298 -1.794 -0.036 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.110 -0.309 0.512 1.00 0.00 H new ATOM 551 N ALA A 36 2.014 -1.940 1.784 1.00 0.00 N ATOM 552 CA ALA A 36 2.648 -3.062 2.468 1.00 0.00 C ATOM 553 C ALA A 36 1.612 -4.059 3.000 1.00 0.00 C ATOM 554 O ALA A 36 0.417 -3.758 3.068 1.00 0.00 O ATOM 555 CB ALA A 36 3.599 -2.549 3.563 1.00 0.00 C ATOM 0 H ALA A 36 1.198 -1.579 2.278 1.00 0.00 H new ATOM 0 HA ALA A 36 3.250 -3.615 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.066 -3.396 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.370 -1.925 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.036 -1.962 4.288 1.00 0.00 H new ATOM 561 N ILE A 37 2.078 -5.244 3.395 1.00 0.00 N ATOM 562 CA ILE A 37 1.263 -6.304 3.993 1.00 0.00 C ATOM 563 C ILE A 37 1.842 -6.709 5.343 1.00 0.00 C ATOM 564 O ILE A 37 3.056 -6.844 5.463 1.00 0.00 O ATOM 565 CB ILE A 37 1.145 -7.467 2.984 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.178 -7.290 2.223 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.237 -8.856 3.616 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.302 -8.119 0.949 1.00 0.00 C ATOM 0 H ILE A 37 3.061 -5.501 3.306 1.00 0.00 H new ATOM 0 HA ILE A 37 0.251 -5.956 4.200 1.00 0.00 H new ATOM 0 HB ILE A 37 2.000 -7.420 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.001 -7.549 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.295 -6.237 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.145 -9.616 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.199 -8.964 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.433 -8.980 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.268 -7.927 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.495 -7.846 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.222 -9.178 1.195 1.00 0.00 H new ATOM 580 N MET A 38 0.990 -6.915 6.349 1.00 0.00 N ATOM 581 CA MET A 38 1.429 -7.263 7.704 1.00 0.00 C ATOM 582 C MET A 38 1.492 -8.786 7.892 1.00 0.00 C ATOM 583 O MET A 38 0.471 -9.443 8.100 1.00 0.00 O ATOM 584 CB MET A 38 0.536 -6.574 8.758 1.00 0.00 C ATOM 585 CG MET A 38 0.362 -5.050 8.605 1.00 0.00 C ATOM 586 SD MET A 38 1.572 -3.983 9.439 1.00 0.00 S ATOM 587 CE MET A 38 3.110 -4.569 8.697 1.00 0.00 C ATOM 0 H MET A 38 -0.023 -6.846 6.249 1.00 0.00 H new ATOM 0 HA MET A 38 2.443 -6.890 7.848 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.450 -7.037 8.728 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.952 -6.775 9.745 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.382 -4.814 7.541 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.630 -4.786 8.972 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.864 -3.784 8.755 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.461 -5.450 9.234 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.935 -4.827 7.653 1.00 0.00 H new ATOM 597 N VAL A 39 2.706 -9.342 7.851 1.00 0.00 N ATOM 598 CA VAL A 39 2.980 -10.784 8.028 1.00 0.00 C ATOM 599 C VAL A 39 3.390 -11.069 9.469 1.00 0.00 C ATOM 600 O VAL A 39 4.198 -10.333 10.028 1.00 0.00 O ATOM 601 CB VAL A 39 4.095 -11.303 7.088 1.00 0.00 C ATOM 602 CG1 VAL A 39 3.968 -12.815 6.875 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.105 -10.620 5.719 1.00 0.00 C ATOM 0 H VAL A 39 3.551 -8.794 7.690 1.00 0.00 H new ATOM 0 HA VAL A 39 2.056 -11.305 7.777 1.00 0.00 H new ATOM 0 HB VAL A 39 5.032 -11.062 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.762 -13.157 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.052 -13.326 7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.000 -13.039 6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.911 -11.032 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.151 -10.792 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.259 -9.549 5.848 1.00 0.00 H new ATOM 613 N GLN A 40 2.898 -12.148 10.074 1.00 0.00 N ATOM 614 CA GLN A 40 3.446 -12.665 11.337 1.00 0.00 C ATOM 615 C GLN A 40 4.801 -13.350 11.079 1.00 0.00 C ATOM 616 O GLN A 40 4.889 -14.291 10.287 1.00 0.00 O ATOM 617 CB GLN A 40 2.431 -13.581 12.047 1.00 0.00 C ATOM 618 CG GLN A 40 1.733 -14.600 11.127 1.00 0.00 C ATOM 619 CD GLN A 40 0.840 -15.598 11.873 1.00 0.00 C ATOM 620 OE1 GLN A 40 0.653 -15.559 13.083 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.242 -16.540 11.172 1.00 0.00 N ATOM 0 H GLN A 40 2.114 -12.689 9.710 1.00 0.00 H new ATOM 0 HA GLN A 40 3.629 -11.835 12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.944 -14.121 12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.671 -12.960 12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.129 -14.062 10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.491 -15.151 10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.383 -16.592 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.362 -17.217 11.638 1.00 0.00 H new ATOM 630 N SER A 41 5.869 -12.866 11.718 1.00 0.00 N ATOM 631 CA SER A 41 7.237 -13.320 11.451 1.00 0.00 C ATOM 632 C SER A 41 7.677 -14.467 12.363 1.00 0.00 C ATOM 633 O SER A 41 7.437 -14.415 13.574 1.00 0.00 O ATOM 634 CB SER A 41 8.222 -12.161 11.579 1.00 0.00 C ATOM 635 OG SER A 41 9.507 -12.580 11.142 1.00 0.00 O ATOM 0 H SER A 41 5.810 -12.146 12.438 1.00 0.00 H new ATOM 0 HA SER A 41 7.237 -13.699 10.429 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.882 -11.314 10.983 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.270 -11.824 12.614 1.00 0.00 H new ATOM 0 HG SER A 41 10.079 -11.796 11.009 1.00 0.00 H new ATOM 641 N PRO A 42 8.382 -15.475 11.815 1.00 0.00 N ATOM 642 CA PRO A 42 9.102 -16.461 12.605 1.00 0.00 C ATOM 643 C PRO A 42 10.523 -16.000 12.997 1.00 0.00 C ATOM 644 O PRO A 42 11.167 -16.650 13.824 1.00 0.00 O ATOM 645 CB PRO A 42 9.113 -17.715 11.726 1.00 0.00 C ATOM 646 CG PRO A 42 9.225 -17.134 10.316 1.00 0.00 C ATOM 647 CD PRO A 42 8.433 -15.828 10.403 1.00 0.00 C ATOM 0 HA PRO A 42 8.621 -16.637 13.567 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.953 -18.369 11.963 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.205 -18.305 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.263 -16.956 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.806 -17.809 9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.915 -15.041 9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.429 -15.954 9.997 1.00 0.00 H new ATOM 655 N MET A 43 11.022 -14.895 12.420 1.00 0.00 N ATOM 656 CA MET A 43 12.362 -14.335 12.677 1.00 0.00 C ATOM 657 C MET A 43 12.332 -13.103 13.596 1.00 0.00 C ATOM 658 O MET A 43 13.224 -12.929 14.430 1.00 0.00 O ATOM 659 CB MET A 43 13.044 -13.979 11.351 1.00 0.00 C ATOM 660 CG MET A 43 13.492 -15.234 10.590 1.00 0.00 C ATOM 661 SD MET A 43 13.643 -14.979 8.805 1.00 0.00 S ATOM 662 CE MET A 43 11.875 -15.042 8.417 1.00 0.00 C ATOM 0 H MET A 43 10.490 -14.350 11.742 1.00 0.00 H new ATOM 0 HA MET A 43 12.931 -15.105 13.197 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.357 -13.403 10.731 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.908 -13.343 11.545 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.453 -15.565 10.984 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.778 -16.036 10.775 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.616 -14.209 7.763 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.646 -15.982 7.915 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.297 -14.973 9.339 1.00 0.00 H new ATOM 672 N PHE A 44 11.309 -12.255 13.454 1.00 0.00 N ATOM 673 CA PHE A 44 11.080 -11.041 14.241 1.00 0.00 C ATOM 674 C PHE A 44 10.015 -11.270 15.329 1.00 0.00 C ATOM 675 O PHE A 44 9.137 -12.125 15.203 1.00 0.00 O ATOM 676 CB PHE A 44 10.724 -9.888 13.287 1.00 0.00 C ATOM 677 CG PHE A 44 10.394 -8.574 13.972 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.420 -7.791 14.532 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.055 -8.149 14.077 1.00 0.00 C ATOM 680 CE1 PHE A 44 11.109 -6.590 15.195 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.744 -6.946 14.735 1.00 0.00 C ATOM 682 CZ PHE A 44 9.770 -6.168 15.296 1.00 0.00 C ATOM 0 H PHE A 44 10.583 -12.404 12.753 1.00 0.00 H new ATOM 0 HA PHE A 44 11.990 -10.770 14.776 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.560 -9.727 12.606 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.871 -10.189 12.679 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.448 -8.113 14.453 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.265 -8.749 13.651 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.898 -5.992 15.627 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.717 -6.620 14.809 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.531 -5.246 15.805 1.00 0.00 H new ATOM 692 N ASP A 45 10.079 -10.486 16.405 1.00 0.00 N ATOM 693 CA ASP A 45 9.234 -10.611 17.603 1.00 0.00 C ATOM 694 C ASP A 45 7.868 -9.900 17.452 1.00 0.00 C ATOM 695 O ASP A 45 7.453 -9.108 18.304 1.00 0.00 O ATOM 696 CB ASP A 45 10.049 -10.158 18.830 1.00 0.00 C ATOM 697 CG ASP A 45 9.354 -10.464 20.171 1.00 0.00 C ATOM 698 OD1 ASP A 45 8.774 -11.567 20.326 1.00 0.00 O ATOM 699 OD2 ASP A 45 9.432 -9.622 21.101 1.00 0.00 O ATOM 0 H ASP A 45 10.744 -9.716 16.473 1.00 0.00 H new ATOM 0 HA ASP A 45 8.959 -11.656 17.747 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.022 -10.649 18.813 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.232 -9.086 18.760 1.00 0.00 H new ATOM 704 N GLY A 46 7.177 -10.138 16.331 1.00 0.00 N ATOM 705 CA GLY A 46 5.906 -9.498 15.988 1.00 0.00 C ATOM 706 C GLY A 46 5.572 -9.572 14.497 1.00 0.00 C ATOM 707 O GLY A 46 5.912 -10.539 13.805 1.00 0.00 O ATOM 0 H GLY A 46 7.496 -10.798 15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.105 -9.970 16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.940 -8.452 16.294 1.00 0.00 H new ATOM 711 N LYS A 47 4.889 -8.534 14.005 1.00 0.00 N ATOM 712 CA LYS A 47 4.387 -8.416 12.629 1.00 0.00 C ATOM 713 C LYS A 47 5.302 -7.515 11.785 1.00 0.00 C ATOM 714 O LYS A 47 5.801 -6.504 12.281 1.00 0.00 O ATOM 715 CB LYS A 47 2.925 -7.927 12.664 1.00 0.00 C ATOM 716 CG LYS A 47 1.976 -8.925 13.371 1.00 0.00 C ATOM 717 CD LYS A 47 1.202 -9.820 12.391 1.00 0.00 C ATOM 718 CE LYS A 47 0.050 -9.078 11.704 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.164 -9.031 12.556 1.00 0.00 N ATOM 0 H LYS A 47 4.661 -7.720 14.575 1.00 0.00 H new ATOM 0 HA LYS A 47 4.400 -9.392 12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.880 -6.966 13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.577 -7.762 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.557 -9.553 14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.266 -8.370 13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.887 -10.202 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.806 -10.683 12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.364 -8.062 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.187 -9.570 10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.920 -8.521 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.479 -10.000 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.945 -8.539 13.446 1.00 0.00 H new ATOM 733 N VAL A 48 5.520 -7.879 10.520 1.00 0.00 N ATOM 734 CA VAL A 48 6.473 -7.235 9.593 1.00 0.00 C ATOM 735 C VAL A 48 5.810 -6.756 8.292 1.00 0.00 C ATOM 736 O VAL A 48 4.947 -7.465 7.771 1.00 0.00 O ATOM 737 CB VAL A 48 7.658 -8.161 9.241 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.584 -8.342 10.451 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.261 -9.550 8.724 1.00 0.00 C ATOM 0 H VAL A 48 5.023 -8.659 10.090 1.00 0.00 H new ATOM 0 HA VAL A 48 6.845 -6.363 10.131 1.00 0.00 H new ATOM 0 HB VAL A 48 8.167 -7.651 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.412 -8.998 10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.975 -7.372 10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.024 -8.785 11.275 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.159 -10.127 8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.675 -10.067 9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.666 -9.444 7.817 1.00 0.00 H new ATOM 749 N PRO A 49 6.201 -5.589 7.734 1.00 0.00 N ATOM 750 CA PRO A 49 5.675 -5.089 6.465 1.00 0.00 C ATOM 751 C PRO A 49 6.385 -5.708 5.251 1.00 0.00 C ATOM 752 O PRO A 49 7.604 -5.608 5.102 1.00 0.00 O ATOM 753 CB PRO A 49 5.872 -3.570 6.517 1.00 0.00 C ATOM 754 CG PRO A 49 7.131 -3.407 7.368 1.00 0.00 C ATOM 755 CD PRO A 49 7.062 -4.583 8.346 1.00 0.00 C ATOM 0 HA PRO A 49 4.627 -5.361 6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.002 -3.147 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.015 -3.068 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.034 -3.445 6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.140 -2.451 7.891 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.056 -4.988 8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.660 -4.263 9.308 1.00 0.00 H new ATOM 763 N HIS A 50 5.614 -6.295 4.334 1.00 0.00 N ATOM 764 CA HIS A 50 6.065 -6.653 2.983 1.00 0.00 C ATOM 765 C HIS A 50 5.649 -5.551 2.024 1.00 0.00 C ATOM 766 O HIS A 50 4.481 -5.488 1.664 1.00 0.00 O ATOM 767 CB HIS A 50 5.512 -8.033 2.580 1.00 0.00 C ATOM 768 CG HIS A 50 6.334 -9.175 3.122 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.685 -10.335 2.426 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.877 -9.231 4.370 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.413 -11.071 3.283 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.554 -10.427 4.456 1.00 0.00 N ATOM 0 H HIS A 50 4.640 -6.541 4.510 1.00 0.00 H new ATOM 0 HA HIS A 50 7.151 -6.738 2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.487 -8.127 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.477 -8.101 1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.793 -8.482 5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.827 -12.044 3.061 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.072 -10.766 5.267 1.00 0.00 H new ATOM 780 N TRP A 51 6.578 -4.662 1.665 1.00 0.00 N ATOM 781 CA TRP A 51 6.314 -3.504 0.815 1.00 0.00 C ATOM 782 C TRP A 51 6.230 -3.865 -0.671 1.00 0.00 C ATOM 783 O TRP A 51 6.922 -4.744 -1.178 1.00 0.00 O ATOM 784 CB TRP A 51 7.393 -2.439 1.036 1.00 0.00 C ATOM 785 CG TRP A 51 7.336 -1.749 2.361 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.138 -1.992 3.422 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.431 -0.680 2.778 1.00 0.00 C ATOM 788 NE1 TRP A 51 7.794 -1.152 4.464 1.00 0.00 N ATOM 789 CE2 TRP A 51 6.729 -0.340 4.131 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.376 0.018 2.153 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.010 0.635 4.835 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.630 0.984 2.858 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.947 1.295 4.192 1.00 0.00 C ATOM 0 H TRP A 51 7.551 -4.730 1.963 1.00 0.00 H new ATOM 0 HA TRP A 51 5.338 -3.112 1.102 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.372 -2.907 0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.310 -1.690 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.927 -2.729 3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.268 -1.134 5.367 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.137 -0.191 1.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.268 0.876 5.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.809 1.489 2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.374 2.041 4.723 1.00 0.00 H new ATOM 804 N TYR A 52 5.410 -3.118 -1.392 1.00 0.00 N ATOM 805 CA TYR A 52 5.317 -3.123 -2.839 1.00 0.00 C ATOM 806 C TYR A 52 4.948 -1.707 -3.322 1.00 0.00 C ATOM 807 O TYR A 52 4.453 -0.875 -2.551 1.00 0.00 O ATOM 808 CB TYR A 52 4.317 -4.188 -3.345 1.00 0.00 C ATOM 809 CG TYR A 52 3.987 -5.431 -2.515 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.243 -5.355 -1.317 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.340 -6.695 -3.023 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.891 -6.534 -0.620 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.984 -7.872 -2.338 1.00 0.00 C ATOM 814 CZ TYR A 52 3.272 -7.796 -1.126 1.00 0.00 C ATOM 815 OH TYR A 52 2.969 -8.942 -0.459 1.00 0.00 O ATOM 0 H TYR A 52 4.760 -2.460 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 52 6.284 -3.398 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.375 -3.674 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.688 -4.539 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.942 -4.392 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.891 -6.763 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.330 -6.469 0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.258 -8.835 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 52 3.311 -9.712 -0.960 1.00 0.00 H new ATOM 825 N HIS A 53 5.158 -1.412 -4.607 1.00 0.00 N ATOM 826 CA HIS A 53 4.573 -0.211 -5.236 1.00 0.00 C ATOM 827 C HIS A 53 3.041 -0.199 -5.068 1.00 0.00 C ATOM 828 O HIS A 53 2.423 -1.262 -4.954 1.00 0.00 O ATOM 829 CB HIS A 53 4.921 -0.147 -6.733 1.00 0.00 C ATOM 830 CG HIS A 53 6.387 0.022 -7.048 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.277 -0.939 -7.540 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.044 1.214 -6.970 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.445 -0.307 -7.731 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.332 0.987 -7.393 1.00 0.00 N ATOM 0 H HIS A 53 5.725 -1.981 -5.235 1.00 0.00 H new ATOM 0 HA HIS A 53 4.997 0.660 -4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.567 -1.060 -7.211 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.372 0.681 -7.182 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.632 2.156 -6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.346 -0.772 -8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.076 1.684 -7.442 1.00 0.00 H new ATOM 842 N PHE A 54 2.408 0.982 -5.120 1.00 0.00 N ATOM 843 CA PHE A 54 0.942 1.092 -5.069 1.00 0.00 C ATOM 844 C PHE A 54 0.257 0.195 -6.119 1.00 0.00 C ATOM 845 O PHE A 54 -0.697 -0.506 -5.791 1.00 0.00 O ATOM 846 CB PHE A 54 0.517 2.556 -5.262 1.00 0.00 C ATOM 847 CG PHE A 54 -0.968 2.742 -5.541 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.926 2.495 -4.536 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.396 3.128 -6.827 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.298 2.625 -4.820 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.767 3.270 -7.103 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.719 3.013 -6.102 1.00 0.00 C ATOM 0 H PHE A 54 2.890 1.878 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 54 0.620 0.746 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.781 3.120 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.087 2.982 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.606 2.205 -3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.668 3.315 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.029 2.426 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.089 3.577 -8.087 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.772 3.114 -6.318 1.00 0.00 H new ATOM 862 N SER A 55 0.775 0.149 -7.354 1.00 0.00 N ATOM 863 CA SER A 55 0.240 -0.685 -8.439 1.00 0.00 C ATOM 864 C SER A 55 0.551 -2.167 -8.220 1.00 0.00 C ATOM 865 O SER A 55 -0.297 -3.023 -8.480 1.00 0.00 O ATOM 866 CB SER A 55 0.828 -0.242 -9.783 1.00 0.00 C ATOM 867 OG SER A 55 0.491 1.111 -10.047 1.00 0.00 O ATOM 0 H SER A 55 1.589 0.698 -7.631 1.00 0.00 H new ATOM 0 HA SER A 55 -0.843 -0.558 -8.444 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.912 -0.358 -9.769 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.449 -0.880 -10.581 1.00 0.00 H new ATOM 0 HG SER A 55 0.874 1.382 -10.907 1.00 0.00 H new ATOM 873 N CYS A 56 1.750 -2.472 -7.709 1.00 0.00 N ATOM 874 CA CYS A 56 2.208 -3.834 -7.486 1.00 0.00 C ATOM 875 C CYS A 56 1.361 -4.583 -6.437 1.00 0.00 C ATOM 876 O CYS A 56 1.091 -5.767 -6.611 1.00 0.00 O ATOM 877 CB CYS A 56 3.694 -3.833 -7.118 1.00 0.00 C ATOM 878 SG CYS A 56 4.763 -3.397 -8.547 1.00 0.00 S ATOM 0 H CYS A 56 2.433 -1.765 -7.438 1.00 0.00 H new ATOM 0 HA CYS A 56 2.078 -4.383 -8.419 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.866 -3.124 -6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.974 -4.818 -6.744 1.00 0.00 H new ATOM 0 HG CYS A 56 5.689 -2.570 -8.160 1.00 0.00 H new ATOM 883 N PHE A 57 0.877 -3.905 -5.392 1.00 0.00 N ATOM 884 CA PHE A 57 -0.053 -4.466 -4.400 1.00 0.00 C ATOM 885 C PHE A 57 -1.272 -5.139 -5.063 1.00 0.00 C ATOM 886 O PHE A 57 -1.591 -6.296 -4.778 1.00 0.00 O ATOM 887 CB PHE A 57 -0.494 -3.353 -3.445 1.00 0.00 C ATOM 888 CG PHE A 57 -1.481 -3.822 -2.393 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.845 -3.939 -2.718 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.037 -4.181 -1.107 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.763 -4.419 -1.772 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.962 -4.630 -0.148 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.323 -4.757 -0.482 1.00 0.00 C ATOM 0 H PHE A 57 1.123 -2.933 -5.206 1.00 0.00 H new ATOM 0 HA PHE A 57 0.465 -5.246 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.385 -2.939 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.945 -2.546 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.188 -3.657 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.011 -4.112 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.805 -4.528 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.627 -4.878 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.029 -5.114 0.253 1.00 0.00 H new ATOM 903 N TRP A 58 -1.928 -4.444 -5.997 1.00 0.00 N ATOM 904 CA TRP A 58 -3.094 -4.965 -6.723 1.00 0.00 C ATOM 905 C TRP A 58 -2.701 -6.019 -7.774 1.00 0.00 C ATOM 906 O TRP A 58 -3.493 -6.910 -8.084 1.00 0.00 O ATOM 907 CB TRP A 58 -3.867 -3.798 -7.347 1.00 0.00 C ATOM 908 CG TRP A 58 -4.142 -2.662 -6.404 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.465 -1.494 -6.381 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.103 -2.579 -5.304 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.880 -0.729 -5.311 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.893 -1.345 -4.610 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.120 -3.426 -4.815 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.653 -0.975 -3.489 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.885 -3.064 -3.692 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.652 -1.844 -3.034 1.00 0.00 C ATOM 0 H TRP A 58 -1.665 -3.498 -6.274 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.743 -5.479 -6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.303 -3.419 -8.199 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.815 -4.171 -7.733 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.710 -1.202 -7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.486 0.180 -5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.314 -4.366 -5.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.470 -0.037 -2.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.657 -3.728 -3.333 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.246 -1.576 -2.173 1.00 0.00 H new ATOM 927 N LYS A 59 -1.453 -5.978 -8.262 1.00 0.00 N ATOM 928 CA LYS A 59 -0.845 -6.949 -9.184 1.00 0.00 C ATOM 929 C LYS A 59 -0.471 -8.270 -8.490 1.00 0.00 C ATOM 930 O LYS A 59 -0.339 -9.293 -9.160 1.00 0.00 O ATOM 931 CB LYS A 59 0.365 -6.248 -9.821 1.00 0.00 C ATOM 932 CG LYS A 59 0.966 -6.942 -11.048 1.00 0.00 C ATOM 933 CD LYS A 59 2.010 -6.047 -11.742 1.00 0.00 C ATOM 934 CE LYS A 59 3.196 -5.709 -10.824 1.00 0.00 C ATOM 935 NZ LYS A 59 3.962 -4.530 -11.301 1.00 0.00 N ATOM 0 H LYS A 59 -0.807 -5.229 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.559 -7.247 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.068 -5.239 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.144 -6.149 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.431 -7.880 -10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.172 -7.192 -11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.378 -6.550 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.533 -5.123 -12.069 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.829 -5.517 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.861 -6.570 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.208 -3.925 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.833 -4.849 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.383 -3.989 -11.974 1.00 0.00 H new ATOM 949 N VAL A 60 -0.364 -8.280 -7.154 1.00 0.00 N ATOM 950 CA VAL A 60 -0.305 -9.519 -6.339 1.00 0.00 C ATOM 951 C VAL A 60 -1.690 -10.193 -6.238 1.00 0.00 C ATOM 952 O VAL A 60 -1.780 -11.390 -5.961 1.00 0.00 O ATOM 953 CB VAL A 60 0.303 -9.224 -4.948 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.384 -10.441 -4.015 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.740 -8.705 -5.065 1.00 0.00 C ATOM 0 H VAL A 60 -0.315 -7.427 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 60 0.351 -10.230 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.380 -8.487 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.823 -10.141 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.617 -10.836 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.004 -11.211 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.138 -8.508 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.358 -9.454 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.748 -7.784 -5.648 1.00 0.00 H new ATOM 965 N GLY A 61 -2.774 -9.460 -6.528 1.00 0.00 N ATOM 966 CA GLY A 61 -4.152 -9.970 -6.572 1.00 0.00 C ATOM 967 C GLY A 61 -4.963 -9.775 -5.284 1.00 0.00 C ATOM 968 O GLY A 61 -6.036 -10.369 -5.146 1.00 0.00 O ATOM 0 H GLY A 61 -2.714 -8.465 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.678 -9.479 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.121 -11.034 -6.805 1.00 0.00 H new ATOM 972 N HIS A 62 -4.481 -8.960 -4.335 1.00 0.00 N ATOM 973 CA HIS A 62 -5.219 -8.621 -3.109 1.00 0.00 C ATOM 974 C HIS A 62 -6.415 -7.696 -3.377 1.00 0.00 C ATOM 975 O HIS A 62 -6.396 -6.870 -4.293 1.00 0.00 O ATOM 976 CB HIS A 62 -4.276 -8.019 -2.056 1.00 0.00 C ATOM 977 CG HIS A 62 -3.381 -9.056 -1.431 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.746 -9.929 -0.401 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.098 -9.324 -1.804 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.669 -10.703 -0.178 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.671 -10.368 -1.014 1.00 0.00 N ATOM 0 H HIS A 62 -3.565 -8.516 -4.396 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.629 -9.551 -2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.664 -7.246 -2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.866 -7.535 -1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.528 -8.817 -2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.614 -11.483 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.754 -10.812 -1.056 1.00 0.00 H new ATOM 989 N SER A 63 -7.445 -7.828 -2.538 1.00 0.00 N ATOM 990 CA SER A 63 -8.659 -6.998 -2.511 1.00 0.00 C ATOM 991 C SER A 63 -8.961 -6.554 -1.077 1.00 0.00 C ATOM 992 O SER A 63 -8.562 -7.216 -0.119 1.00 0.00 O ATOM 993 CB SER A 63 -9.863 -7.759 -3.086 1.00 0.00 C ATOM 994 OG SER A 63 -9.676 -8.057 -4.460 1.00 0.00 O ATOM 0 H SER A 63 -7.459 -8.553 -1.821 1.00 0.00 H new ATOM 0 HA SER A 63 -8.481 -6.120 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.012 -8.684 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.767 -7.162 -2.961 1.00 0.00 H new ATOM 0 HG SER A 63 -10.457 -8.543 -4.799 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.653 -5.424 -0.922 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.859 -4.733 0.362 1.00 0.00 C ATOM 1002 C ILE A 64 -11.336 -4.309 0.452 1.00 0.00 C ATOM 1003 O ILE A 64 -11.897 -3.814 -0.528 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.870 -3.543 0.486 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.429 -3.890 0.028 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.850 -3.010 1.922 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.386 -2.795 0.280 1.00 0.00 C ATOM 0 H ILE A 64 -10.100 -4.947 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.649 -5.391 1.205 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.237 -2.771 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.111 -4.798 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.447 -4.114 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.151 -2.176 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.848 -2.671 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.536 -3.803 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.412 -3.132 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.673 -1.889 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.331 -2.584 1.348 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.984 -4.546 1.600 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.451 -4.434 1.789 1.00 0.00 C ATOM 1021 C ARG A 65 -13.873 -3.415 2.854 1.00 0.00 C ATOM 1022 O ARG A 65 -14.991 -2.902 2.796 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.100 -5.821 2.020 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.334 -6.786 2.947 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.328 -7.661 2.179 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.036 -7.764 2.878 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.994 -8.481 2.514 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.019 -9.328 1.524 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.886 -8.329 3.164 1.00 0.00 N ATOM 0 H ARG A 65 -11.497 -4.829 2.450 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.837 -4.033 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.097 -5.668 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.227 -6.305 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.805 -6.212 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.045 -7.427 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.746 -8.658 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.169 -7.243 1.185 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.938 -7.222 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.877 -9.461 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.181 -9.858 1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.835 -7.666 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.063 -8.872 2.903 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.977 -3.066 3.776 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.103 -1.931 4.700 1.00 0.00 C ATOM 1045 C HIS A 66 -11.755 -1.201 4.816 1.00 0.00 C ATOM 1046 O HIS A 66 -11.095 -1.259 5.852 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.778 -2.327 6.036 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.244 -3.491 6.852 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.804 -4.693 6.383 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.297 -3.570 8.249 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.539 -5.489 7.471 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.847 -4.794 8.575 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.108 -3.584 3.908 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.799 -1.199 4.291 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.759 -1.447 6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.824 -2.540 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.633 -2.801 8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.151 -6.497 7.442 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.753 -5.145 9.528 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.299 -0.528 3.737 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.921 -0.050 3.613 1.00 0.00 C ATOM 1062 C PRO A 67 -9.493 0.984 4.659 1.00 0.00 C ATOM 1063 O PRO A 67 -8.322 1.010 5.025 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.797 0.516 2.189 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.239 0.839 1.808 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.019 -0.274 2.496 1.00 0.00 C ATOM 0 HA PRO A 67 -9.244 -0.884 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.166 1.405 2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.354 -0.209 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.541 1.825 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.385 0.829 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.048 0.028 2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.062 -1.168 1.874 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.412 1.777 5.212 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.093 2.718 6.296 1.00 0.00 C ATOM 1076 C ASP A 68 -9.742 1.997 7.616 1.00 0.00 C ATOM 1077 O ASP A 68 -9.097 2.570 8.498 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.284 3.674 6.463 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.094 4.695 7.600 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.278 5.634 7.445 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.801 4.587 8.631 1.00 0.00 O ATOM 0 H ASP A 68 -11.391 1.789 4.927 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.200 3.284 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.445 4.209 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.184 3.091 6.655 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.126 0.721 7.731 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.824 -0.175 8.854 1.00 0.00 C ATOM 1088 C VAL A 69 -8.633 -1.083 8.530 1.00 0.00 C ATOM 1089 O VAL A 69 -7.767 -1.297 9.378 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.059 -1.033 9.210 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -10.852 -1.794 10.524 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.338 -0.192 9.341 1.00 0.00 C ATOM 0 H VAL A 69 -10.682 0.263 7.009 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.562 0.443 9.712 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.177 -1.735 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.739 -2.387 10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.989 -2.453 10.431 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.680 -1.084 11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.177 -0.842 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.206 0.551 10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.540 0.313 8.396 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.573 -1.612 7.303 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.597 -2.640 6.901 1.00 0.00 C ATOM 1104 C GLU A 70 -6.264 -2.076 6.410 1.00 0.00 C ATOM 1105 O GLU A 70 -5.235 -2.729 6.592 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.178 -3.533 5.788 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.431 -4.322 6.168 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.913 -5.180 4.985 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.596 -4.662 4.069 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.628 -6.398 4.960 1.00 0.00 O ATOM 0 H GLU A 70 -9.205 -1.338 6.551 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.400 -3.213 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.411 -2.906 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.408 -4.237 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.218 -4.962 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.221 -3.635 6.471 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.272 -0.889 5.800 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.083 -0.179 5.321 1.00 0.00 C ATOM 1119 C VAL A 71 -4.618 0.792 6.396 1.00 0.00 C ATOM 1120 O VAL A 71 -5.115 1.908 6.549 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.316 0.504 3.971 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.965 0.982 3.458 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.870 -0.483 2.941 1.00 0.00 C ATOM 0 H VAL A 71 -7.136 -0.378 5.619 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.289 -0.903 5.138 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.027 1.319 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.095 1.475 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.534 1.685 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.297 0.128 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.025 0.030 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.161 -1.299 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.819 -0.885 3.296 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.618 0.351 7.142 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.882 1.164 8.097 1.00 0.00 C ATOM 1135 C ASP A 72 -2.106 2.288 7.379 1.00 0.00 C ATOM 1136 O ASP A 72 -1.617 2.100 6.268 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.990 0.182 8.858 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.182 0.793 10.005 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.629 1.784 10.622 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.097 0.235 10.296 1.00 0.00 O ATOM 0 H ASP A 72 -3.286 -0.612 7.098 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.531 1.693 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.615 -0.616 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.299 -0.279 8.152 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.019 3.477 7.972 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.354 4.657 7.394 1.00 0.00 C ATOM 1147 C GLY A 73 -2.190 5.446 6.373 1.00 0.00 C ATOM 1148 O GLY A 73 -1.811 6.553 5.996 1.00 0.00 O ATOM 0 H GLY A 73 -2.418 3.658 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.072 5.329 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.431 4.334 6.912 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.371 4.947 5.987 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.348 5.632 5.119 1.00 0.00 C ATOM 1154 C PHE A 74 -4.802 6.993 5.681 1.00 0.00 C ATOM 1155 O PHE A 74 -5.133 7.904 4.922 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.537 4.669 4.953 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.730 5.190 4.175 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.792 5.026 2.779 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.808 5.787 4.859 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.925 5.471 2.072 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.932 6.240 4.148 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.982 6.094 2.754 1.00 0.00 C ATOM 0 H PHE A 74 -3.688 4.022 6.279 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.888 5.867 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.177 3.766 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.879 4.376 5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.973 4.560 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.770 5.897 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.981 5.333 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.756 6.700 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.836 6.462 2.204 1.00 0.00 H new ATOM 1172 N SER A 75 -4.755 7.171 7.004 1.00 0.00 N ATOM 1173 CA SER A 75 -4.984 8.448 7.696 1.00 0.00 C ATOM 1174 C SER A 75 -3.969 9.550 7.350 1.00 0.00 C ATOM 1175 O SER A 75 -4.270 10.732 7.528 1.00 0.00 O ATOM 1176 CB SER A 75 -4.954 8.208 9.211 1.00 0.00 C ATOM 1177 OG SER A 75 -3.801 7.463 9.583 1.00 0.00 O ATOM 0 H SER A 75 -4.550 6.406 7.647 1.00 0.00 H new ATOM 0 HA SER A 75 -5.956 8.807 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.959 9.164 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.853 7.672 9.516 1.00 0.00 H new ATOM 0 HG SER A 75 -3.801 7.323 10.553 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.782 9.197 6.844 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.706 10.144 6.508 1.00 0.00 C ATOM 1185 C GLU A 76 -1.763 10.643 5.048 1.00 0.00 C ATOM 1186 O GLU A 76 -1.094 11.620 4.696 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.334 9.517 6.818 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.215 9.006 8.263 1.00 0.00 C ATOM 1189 CD GLU A 76 1.245 8.654 8.610 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.010 9.564 9.017 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.637 7.468 8.496 1.00 0.00 O ATOM 0 H GLU A 76 -2.535 8.226 6.652 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.855 11.025 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.156 8.690 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.446 10.256 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.582 9.766 8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.845 8.126 8.394 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.569 9.997 4.198 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.803 10.373 2.797 1.00 0.00 C ATOM 1200 C LEU A 77 -3.674 11.639 2.697 1.00 0.00 C ATOM 1201 O LEU A 77 -4.518 11.899 3.561 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.476 9.193 2.062 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.550 8.072 1.551 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.512 7.568 2.552 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.409 6.891 1.095 1.00 0.00 C ATOM 0 H LEU A 77 -3.095 9.169 4.475 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.845 10.598 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.209 8.748 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.027 9.593 1.211 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.978 8.515 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.914 6.782 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.862 8.392 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.018 7.171 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.764 6.091 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.001 6.526 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.075 7.213 0.294 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.522 12.404 1.608 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.454 13.487 1.243 1.00 0.00 C ATOM 1219 C ARG A 78 -5.767 12.941 0.694 1.00 0.00 C ATOM 1220 O ARG A 78 -5.864 11.778 0.296 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.806 14.485 0.261 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.753 15.384 0.920 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.384 16.306 1.976 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.418 17.302 2.479 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.510 17.135 3.425 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.356 16.004 4.056 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -0.725 18.118 3.761 1.00 0.00 N ATOM 0 H ARG A 78 -2.749 12.292 0.952 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.687 14.031 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.342 13.932 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.584 15.110 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.985 14.766 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.258 15.986 0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.244 16.819 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.755 15.707 2.807 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.455 18.225 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.949 15.207 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.643 15.917 4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.810 19.021 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.026 17.985 4.491 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.776 13.812 0.663 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.154 13.452 0.329 1.00 0.00 C ATOM 1243 C TRP A 79 -8.273 12.711 -1.016 1.00 0.00 C ATOM 1244 O TRP A 79 -9.000 11.726 -1.095 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.054 14.701 0.418 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.076 14.867 -0.666 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.352 14.419 -0.650 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.898 15.515 -1.960 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.970 14.741 -1.846 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.113 15.409 -2.697 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.815 16.170 -2.583 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.248 15.929 -3.993 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.936 16.692 -3.884 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.149 16.573 -4.590 1.00 0.00 C ATOM 0 H TRP A 79 -6.657 14.803 0.873 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.507 12.730 1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.573 14.680 1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.414 15.583 0.422 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.817 13.891 0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.938 14.513 -2.071 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.879 16.272 -2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.183 15.836 -4.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.094 17.187 -4.344 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.235 16.976 -5.588 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.519 13.112 -2.046 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.573 12.506 -3.387 1.00 0.00 C ATOM 1267 C ASP A 80 -7.015 11.069 -3.433 1.00 0.00 C ATOM 1268 O ASP A 80 -7.556 10.213 -4.132 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.813 13.408 -4.367 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.925 12.910 -5.819 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.031 12.996 -6.407 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.901 12.461 -6.388 1.00 0.00 O ATOM 0 H ASP A 80 -6.846 13.875 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.622 12.426 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.203 14.424 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.763 13.451 -4.079 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.986 10.764 -2.639 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.453 9.409 -2.486 1.00 0.00 C ATOM 1279 C ASP A 81 -6.343 8.575 -1.566 1.00 0.00 C ATOM 1280 O ASP A 81 -6.507 7.384 -1.806 1.00 0.00 O ATOM 1281 CB ASP A 81 -4.006 9.443 -1.985 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.045 9.861 -3.099 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.908 9.098 -4.086 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.412 10.934 -2.972 1.00 0.00 O ATOM 0 H ASP A 81 -5.494 11.459 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.451 8.932 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.924 10.139 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.725 8.459 -1.609 1.00 0.00 H new ATOM 1289 N GLN A 82 -7.015 9.189 -0.589 1.00 0.00 N ATOM 1290 CA GLN A 82 -8.092 8.529 0.146 1.00 0.00 C ATOM 1291 C GLN A 82 -9.285 8.187 -0.766 1.00 0.00 C ATOM 1292 O GLN A 82 -9.883 7.129 -0.591 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.509 9.370 1.361 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.427 9.335 2.452 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.765 10.191 3.672 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.620 11.070 3.658 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.097 9.975 4.784 1.00 0.00 N ATOM 0 H GLN A 82 -6.830 10.146 -0.289 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.713 7.577 0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.685 10.400 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.449 8.993 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.277 8.304 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.483 9.677 2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.382 9.248 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.294 10.534 5.614 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.590 8.991 -1.794 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.609 8.630 -2.790 1.00 0.00 C ATOM 1308 C GLN A 83 -10.121 7.504 -3.715 1.00 0.00 C ATOM 1309 O GLN A 83 -10.890 6.596 -4.028 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.062 9.828 -3.652 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.595 11.081 -2.937 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.356 10.798 -1.643 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.512 10.394 -1.639 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.733 10.987 -0.499 1.00 0.00 N ATOM 0 H GLN A 83 -9.146 9.895 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.467 8.285 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.217 10.132 -4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.840 9.475 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.756 11.740 -2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.252 11.621 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.770 11.323 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.213 10.797 0.381 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.850 7.525 -4.143 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.297 6.633 -5.157 1.00 0.00 C ATOM 1325 C LYS A 84 -7.904 5.290 -4.561 1.00 0.00 C ATOM 1326 O LYS A 84 -8.147 4.282 -5.206 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.141 7.366 -5.856 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.434 6.531 -6.941 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.949 6.365 -6.602 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.183 7.637 -6.995 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.812 7.670 -6.433 1.00 0.00 N ATOM 0 H LYS A 84 -8.163 8.185 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.048 6.389 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.525 8.280 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.408 7.665 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.907 5.552 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.540 7.018 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.829 6.171 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.539 5.504 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.129 7.703 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.735 8.511 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.150 8.022 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.791 8.300 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.532 6.711 -6.144 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.404 5.224 -3.326 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.158 3.934 -2.644 1.00 0.00 C ATOM 1347 C VAL A 85 -8.486 3.221 -2.361 1.00 0.00 C ATOM 1348 O VAL A 85 -8.591 2.021 -2.610 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.308 4.110 -1.364 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.219 2.846 -0.489 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.869 4.514 -1.710 1.00 0.00 C ATOM 0 H VAL A 85 -7.159 6.044 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.573 3.303 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.825 4.888 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.606 3.053 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.219 2.552 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.769 2.037 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.293 4.631 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.413 3.741 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.877 5.457 -2.256 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.537 3.953 -1.952 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.890 3.385 -1.795 1.00 0.00 C ATOM 1363 C LYS A 86 -11.496 2.957 -3.140 1.00 0.00 C ATOM 1364 O LYS A 86 -11.991 1.837 -3.251 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.813 4.366 -1.052 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.404 4.545 0.421 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.350 5.485 1.188 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.704 4.825 1.466 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.635 5.751 2.163 1.00 0.00 N ATOM 0 H LYS A 86 -9.476 4.945 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.796 2.483 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.792 5.333 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.840 4.004 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.389 3.571 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.389 4.940 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.887 5.777 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.502 6.398 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.150 4.500 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.556 3.932 2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.541 5.269 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.220 6.041 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.796 6.591 1.572 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.384 3.782 -4.188 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.864 3.443 -5.545 1.00 0.00 C ATOM 1385 C LYS A 87 -11.108 2.251 -6.124 1.00 0.00 C ATOM 1386 O LYS A 87 -11.725 1.361 -6.694 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.797 4.691 -6.448 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.372 4.492 -7.864 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.320 4.071 -8.909 1.00 0.00 C ATOM 1390 CE LYS A 87 -11.941 3.787 -10.286 1.00 0.00 C ATOM 1391 NZ LYS A 87 -12.477 5.012 -10.939 1.00 0.00 N ATOM 0 H LYS A 87 -10.958 4.707 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.907 3.132 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.337 5.504 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.757 5.006 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.155 3.735 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.842 5.420 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.573 4.859 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.800 3.180 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.189 3.335 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.744 3.059 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.884 4.763 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.215 5.431 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.708 5.699 -11.073 1.00 0.00 H new ATOM 1405 N THR A 88 -9.795 2.187 -5.929 1.00 0.00 N ATOM 1406 CA THR A 88 -8.931 1.093 -6.395 1.00 0.00 C ATOM 1407 C THR A 88 -9.217 -0.223 -5.663 1.00 0.00 C ATOM 1408 O THR A 88 -9.147 -1.286 -6.282 1.00 0.00 O ATOM 1409 CB THR A 88 -7.450 1.491 -6.339 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.258 2.652 -7.112 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.565 0.446 -6.994 1.00 0.00 C ATOM 0 H THR A 88 -9.282 2.913 -5.429 1.00 0.00 H new ATOM 0 HA THR A 88 -9.171 0.910 -7.442 1.00 0.00 H new ATOM 0 HB THR A 88 -7.196 1.618 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.410 3.444 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.524 0.762 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.684 -0.507 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.851 0.331 -8.040 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.636 -0.170 -4.395 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.102 -1.328 -3.639 1.00 0.00 C ATOM 1421 C ALA A 89 -11.440 -1.858 -4.177 1.00 0.00 C ATOM 1422 O ALA A 89 -11.626 -3.072 -4.283 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.208 -0.935 -2.163 1.00 0.00 C ATOM 0 H ALA A 89 -9.660 0.697 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.386 -2.142 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.555 -1.790 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.229 -0.623 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.915 -0.112 -2.055 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.348 -0.963 -4.587 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.602 -1.351 -5.245 1.00 0.00 C ATOM 1431 C GLU A 90 -13.386 -1.856 -6.687 1.00 0.00 C ATOM 1432 O GLU A 90 -14.078 -2.768 -7.146 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.607 -0.187 -5.237 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.101 0.166 -3.830 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.214 1.230 -3.890 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.905 2.446 -3.934 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.414 0.858 -3.892 1.00 0.00 O ATOM 0 H GLU A 90 -12.235 0.044 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.010 -2.182 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.141 0.691 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.461 -0.447 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.475 -0.731 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.270 0.537 -3.230 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.405 -1.284 -7.392 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.046 -1.599 -8.775 1.00 0.00 C ATOM 1446 C ALA A 91 -11.179 -2.870 -8.924 1.00 0.00 C ATOM 1447 O ALA A 91 -11.123 -3.454 -10.009 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.338 -0.362 -9.345 1.00 0.00 C ATOM 0 H ALA A 91 -11.813 -0.555 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.953 -1.831 -9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.051 -0.552 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.013 0.493 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.447 -0.148 -8.754 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.503 -3.306 -7.853 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.571 -4.441 -7.861 1.00 0.00 C ATOM 1456 C GLY A 92 -8.233 -4.137 -8.556 1.00 0.00 C ATOM 1457 O GLY A 92 -7.665 -5.021 -9.202 1.00 0.00 O ATOM 0 H GLY A 92 -10.591 -2.869 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.375 -4.746 -6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.046 -5.286 -8.360 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.749 -2.893 -8.463 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.551 -2.395 -9.147 1.00 0.00 C ATOM 1463 C GLY A 93 -6.846 -1.362 -10.241 1.00 0.00 C ATOM 1464 O GLY A 93 -7.894 -1.394 -10.890 1.00 0.00 O ATOM 0 H GLY A 93 -8.198 -2.180 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.883 -1.949 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.020 -3.238 -9.590 1.00 0.00 H new