USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 820 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 96 ASN : amide:sc= 0.0498 X(o=0.18,f=0.067) USER MOD Set 1.2: A 99 CYS SG : rot -170:sc= 0.126 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 17 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 51 THR OG1 : rot -75:sc= -0.0145 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -32:sc= -0.675! USER MOD Single : A 67 SER OG : rot 9:sc= 0.157 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 160:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -78:sc= -0.158 USER MOD Single : A 90 SER OG : rot -170:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 15.722 -3.435 1.453 1.00 0.00 N ATOM 44 CA GLU A 4 14.258 -3.705 1.468 1.00 0.00 C ATOM 45 C GLU A 4 13.526 -2.553 0.778 1.00 0.00 C ATOM 46 O GLU A 4 14.138 -1.655 0.235 1.00 0.00 O ATOM 47 CB GLU A 4 13.776 -3.824 2.916 1.00 0.00 C ATOM 48 CG GLU A 4 14.456 -2.752 3.770 1.00 0.00 C ATOM 49 CD GLU A 4 13.411 -2.064 4.651 1.00 0.00 C ATOM 50 OE1 GLU A 4 12.680 -2.769 5.329 1.00 0.00 O ATOM 51 OE2 GLU A 4 13.359 -0.846 4.632 1.00 0.00 O ATOM 0 HA GLU A 4 14.052 -4.637 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.693 -3.707 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.006 -4.815 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.230 -3.203 4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.947 -2.019 3.130 1.00 0.00 H new ATOM 58 N ILE A 5 12.222 -2.571 0.791 1.00 0.00 N ATOM 59 CA ILE A 5 11.458 -1.474 0.134 1.00 0.00 C ATOM 60 C ILE A 5 10.334 -1.008 1.061 1.00 0.00 C ATOM 61 O ILE A 5 9.660 -1.804 1.684 1.00 0.00 O ATOM 62 CB ILE A 5 10.859 -1.983 -1.179 1.00 0.00 C ATOM 63 CG1 ILE A 5 11.970 -2.569 -2.053 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.189 -0.824 -1.918 1.00 0.00 C ATOM 65 CD1 ILE A 5 11.349 -3.407 -3.172 1.00 0.00 C ATOM 0 H ILE A 5 11.653 -3.297 1.227 1.00 0.00 H new ATOM 0 HA ILE A 5 12.128 -0.639 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 5 10.119 -2.754 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.575 -1.768 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.636 -3.185 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.762 -1.187 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.398 -0.405 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.929 -0.053 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.140 -3.825 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.763 -4.217 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.701 -2.777 -3.782 1.00 0.00 H new ATOM 77 N ARG A 6 10.127 0.276 1.156 1.00 0.00 N ATOM 78 CA ARG A 6 9.047 0.793 2.042 1.00 0.00 C ATOM 79 C ARG A 6 7.809 1.113 1.203 1.00 0.00 C ATOM 80 O ARG A 6 7.764 2.100 0.495 1.00 0.00 O ATOM 81 CB ARG A 6 9.531 2.062 2.747 1.00 0.00 C ATOM 82 CG ARG A 6 10.808 1.752 3.533 1.00 0.00 C ATOM 83 CD ARG A 6 11.126 2.915 4.475 1.00 0.00 C ATOM 84 NE ARG A 6 12.314 3.659 3.967 1.00 0.00 N ATOM 85 CZ ARG A 6 13.364 3.007 3.548 1.00 0.00 C ATOM 86 NH1 ARG A 6 13.802 1.975 4.217 1.00 0.00 N ATOM 87 NH2 ARG A 6 13.975 3.386 2.459 1.00 0.00 N ATOM 0 H ARG A 6 10.659 0.990 0.658 1.00 0.00 H new ATOM 0 HA ARG A 6 8.794 0.039 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.723 2.847 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.758 2.435 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.681 0.832 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.639 1.589 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.268 3.584 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.321 2.540 5.480 1.00 0.00 H new ATOM 0 HE ARG A 6 12.306 4.679 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.323 1.678 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.623 1.466 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.632 4.192 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.796 2.877 2.131 1.00 0.00 H new ATOM 101 N LEU A 7 6.803 0.285 1.275 1.00 0.00 N ATOM 102 CA LEU A 7 5.569 0.541 0.480 1.00 0.00 C ATOM 103 C LEU A 7 4.367 0.643 1.421 1.00 0.00 C ATOM 104 O LEU A 7 4.465 0.367 2.600 1.00 0.00 O ATOM 105 CB LEU A 7 5.352 -0.610 -0.505 1.00 0.00 C ATOM 106 CG LEU A 7 6.701 -1.067 -1.058 1.00 0.00 C ATOM 107 CD1 LEU A 7 7.177 -2.301 -0.289 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.552 -1.417 -2.540 1.00 0.00 C ATOM 0 H LEU A 7 6.782 -0.557 1.850 1.00 0.00 H new ATOM 0 HA LEU A 7 5.677 1.476 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.851 -1.440 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.703 -0.289 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 7 7.430 -0.265 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.139 -2.627 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.283 -2.053 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.448 -3.104 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.514 -1.743 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.823 -2.219 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.213 -0.538 -3.089 1.00 0.00 H new ATOM 120 N TYR A 8 3.235 1.042 0.910 1.00 0.00 N ATOM 121 CA TYR A 8 2.030 1.164 1.776 1.00 0.00 C ATOM 122 C TYR A 8 0.788 0.740 0.990 1.00 0.00 C ATOM 123 O TYR A 8 0.312 1.452 0.128 1.00 0.00 O ATOM 124 CB TYR A 8 1.876 2.616 2.232 1.00 0.00 C ATOM 125 CG TYR A 8 0.588 2.774 3.008 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.016 1.671 3.659 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.036 4.027 3.078 1.00 0.00 C ATOM 128 CE1 TYR A 8 -1.177 1.822 4.378 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.229 4.178 3.797 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.799 3.076 4.447 1.00 0.00 C ATOM 131 OH TYR A 8 -2.975 3.224 5.155 1.00 0.00 O ATOM 0 H TYR A 8 3.093 1.289 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 8 2.143 0.519 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.724 2.904 2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.875 3.280 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.496 0.705 3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.403 4.877 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.617 0.972 4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.709 5.144 3.850 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.273 4.156 5.103 1.00 0.00 H new ATOM 141 N ILE A 9 0.259 -0.417 1.283 1.00 0.00 N ATOM 142 CA ILE A 9 -0.953 -0.891 0.556 1.00 0.00 C ATOM 143 C ILE A 9 -2.177 -0.745 1.460 1.00 0.00 C ATOM 144 O ILE A 9 -2.141 -1.080 2.628 1.00 0.00 O ATOM 145 CB ILE A 9 -0.777 -2.364 0.178 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.684 -2.623 -0.193 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.672 -2.698 -1.018 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.830 -4.051 -0.722 1.00 0.00 C ATOM 0 H ILE A 9 0.614 -1.055 1.995 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.091 -0.296 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.056 -2.991 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.011 -1.909 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.323 -2.479 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.545 -3.747 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.714 -2.514 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.395 -2.071 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.871 -4.236 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.520 -4.758 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.203 -4.178 -1.605 1.00 0.00 H new ATOM 160 N THR A 10 -3.263 -0.251 0.934 1.00 0.00 N ATOM 161 CA THR A 10 -4.485 -0.091 1.770 1.00 0.00 C ATOM 162 C THR A 10 -4.760 -1.399 2.511 1.00 0.00 C ATOM 163 O THR A 10 -4.187 -2.427 2.208 1.00 0.00 O ATOM 164 CB THR A 10 -5.677 0.252 0.873 1.00 0.00 C ATOM 165 OG1 THR A 10 -5.206 0.847 -0.329 1.00 0.00 O ATOM 166 CG2 THR A 10 -6.600 1.230 1.600 1.00 0.00 C ATOM 0 H THR A 10 -3.357 0.048 -0.037 1.00 0.00 H new ATOM 0 HA THR A 10 -4.335 0.713 2.491 1.00 0.00 H new ATOM 0 HB THR A 10 -6.229 -0.658 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.967 1.066 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.448 1.474 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.960 0.774 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.051 2.141 1.837 1.00 0.00 H new ATOM 174 N GLU A 11 -5.631 -1.372 3.481 1.00 0.00 N ATOM 175 CA GLU A 11 -5.934 -2.620 4.238 1.00 0.00 C ATOM 176 C GLU A 11 -7.448 -2.766 4.401 1.00 0.00 C ATOM 177 O GLU A 11 -8.059 -2.120 5.229 1.00 0.00 O ATOM 178 CB GLU A 11 -5.278 -2.551 5.617 1.00 0.00 C ATOM 179 CG GLU A 11 -4.220 -3.650 5.734 1.00 0.00 C ATOM 180 CD GLU A 11 -2.959 -3.080 6.383 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.352 -2.206 5.786 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.623 -3.524 7.468 1.00 0.00 O ATOM 0 H GLU A 11 -6.145 -0.544 3.782 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.544 -3.479 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.820 -1.573 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.031 -2.672 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.605 -4.478 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.985 -4.049 4.747 1.00 0.00 H new ATOM 189 N GLY A 12 -8.056 -3.613 3.618 1.00 0.00 N ATOM 190 CA GLY A 12 -9.529 -3.806 3.730 1.00 0.00 C ATOM 191 C GLY A 12 -9.829 -5.280 3.998 1.00 0.00 C ATOM 192 O GLY A 12 -9.081 -5.965 4.668 1.00 0.00 O ATOM 0 H GLY A 12 -7.597 -4.180 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.927 -3.190 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.020 -3.485 2.811 1.00 0.00 H new ATOM 196 N GLU A 13 -10.919 -5.776 3.482 1.00 0.00 N ATOM 197 CA GLU A 13 -11.266 -7.205 3.707 1.00 0.00 C ATOM 198 C GLU A 13 -11.808 -7.807 2.410 1.00 0.00 C ATOM 199 O GLU A 13 -12.887 -8.367 2.377 1.00 0.00 O ATOM 200 CB GLU A 13 -12.327 -7.308 4.804 1.00 0.00 C ATOM 201 CG GLU A 13 -11.966 -8.451 5.757 1.00 0.00 C ATOM 202 CD GLU A 13 -12.559 -9.760 5.232 1.00 0.00 C ATOM 203 OE1 GLU A 13 -13.573 -9.700 4.557 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.987 -10.800 5.515 1.00 0.00 O ATOM 0 H GLU A 13 -11.585 -5.252 2.914 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.375 -7.751 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.390 -6.369 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.307 -7.485 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.883 -8.539 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.349 -8.241 6.756 1.00 0.00 H new ATOM 211 N VAL A 14 -11.069 -7.697 1.340 1.00 0.00 N ATOM 212 CA VAL A 14 -11.540 -8.262 0.045 1.00 0.00 C ATOM 213 C VAL A 14 -10.563 -9.344 -0.423 1.00 0.00 C ATOM 214 O VAL A 14 -9.413 -9.368 -0.030 1.00 0.00 O ATOM 215 CB VAL A 14 -11.612 -7.150 -1.004 1.00 0.00 C ATOM 216 CG1 VAL A 14 -12.468 -7.616 -2.184 1.00 0.00 C ATOM 217 CG2 VAL A 14 -12.244 -5.903 -0.380 1.00 0.00 C ATOM 0 H VAL A 14 -10.158 -7.239 1.307 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.530 -8.698 0.178 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.607 -6.915 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.519 -6.824 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.022 -8.506 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.473 -7.850 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.296 -5.110 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.249 -6.140 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.637 -5.570 0.462 1.00 0.00 H new ATOM 227 N GLU A 15 -11.011 -10.240 -1.258 1.00 0.00 N ATOM 228 CA GLU A 15 -10.110 -11.322 -1.747 1.00 0.00 C ATOM 229 C GLU A 15 -9.184 -10.768 -2.833 1.00 0.00 C ATOM 230 O GLU A 15 -8.228 -11.404 -3.229 1.00 0.00 O ATOM 231 CB GLU A 15 -10.954 -12.458 -2.328 1.00 0.00 C ATOM 232 CG GLU A 15 -10.061 -13.667 -2.607 1.00 0.00 C ATOM 233 CD GLU A 15 -10.889 -14.773 -3.262 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.056 -14.725 -4.470 1.00 0.00 O ATOM 235 OE2 GLU A 15 -11.344 -15.650 -2.545 1.00 0.00 O ATOM 0 H GLU A 15 -11.963 -10.270 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.510 -11.698 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.745 -12.731 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.439 -12.131 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.236 -13.380 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.621 -14.029 -1.678 1.00 0.00 H new ATOM 242 N ASP A 16 -9.462 -9.589 -3.320 1.00 0.00 N ATOM 243 CA ASP A 16 -8.597 -8.999 -4.381 1.00 0.00 C ATOM 244 C ASP A 16 -7.234 -8.630 -3.787 1.00 0.00 C ATOM 245 O ASP A 16 -6.206 -9.112 -4.219 1.00 0.00 O ATOM 246 CB ASP A 16 -9.266 -7.744 -4.944 1.00 0.00 C ATOM 247 CG ASP A 16 -8.267 -6.975 -5.811 1.00 0.00 C ATOM 248 OD1 ASP A 16 -7.299 -6.475 -5.262 1.00 0.00 O ATOM 249 OD2 ASP A 16 -8.487 -6.900 -7.008 1.00 0.00 O ATOM 0 H ASP A 16 -10.250 -9.010 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.457 -9.727 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.139 -8.019 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.619 -7.111 -4.130 1.00 0.00 H new ATOM 254 N TYR A 17 -7.220 -7.774 -2.802 1.00 0.00 N ATOM 255 CA TYR A 17 -5.926 -7.370 -2.182 1.00 0.00 C ATOM 256 C TYR A 17 -5.228 -8.601 -1.593 1.00 0.00 C ATOM 257 O TYR A 17 -4.016 -8.691 -1.580 1.00 0.00 O ATOM 258 CB TYR A 17 -6.196 -6.346 -1.072 1.00 0.00 C ATOM 259 CG TYR A 17 -4.981 -6.216 -0.183 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.736 -5.888 -0.737 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.100 -6.426 1.198 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.611 -5.770 0.091 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.975 -6.307 2.024 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.731 -5.979 1.471 1.00 0.00 C ATOM 265 OH TYR A 17 -1.624 -5.862 2.285 1.00 0.00 O ATOM 0 H TYR A 17 -8.049 -7.337 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.281 -6.925 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.442 -5.379 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.058 -6.656 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.643 -5.726 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.059 -6.680 1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.651 -5.518 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.067 -6.468 3.088 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.881 -6.038 3.214 1.00 0.00 H new ATOM 275 N ARG A 18 -5.981 -9.547 -1.101 1.00 0.00 N ATOM 276 CA ARG A 18 -5.354 -10.765 -0.509 1.00 0.00 C ATOM 277 C ARG A 18 -4.602 -11.541 -1.593 1.00 0.00 C ATOM 278 O ARG A 18 -3.512 -12.031 -1.373 1.00 0.00 O ATOM 279 CB ARG A 18 -6.442 -11.658 0.092 1.00 0.00 C ATOM 280 CG ARG A 18 -5.859 -12.455 1.260 1.00 0.00 C ATOM 281 CD ARG A 18 -6.926 -13.399 1.819 1.00 0.00 C ATOM 282 NE ARG A 18 -6.903 -14.680 1.059 1.00 0.00 N ATOM 283 CZ ARG A 18 -6.457 -15.767 1.628 1.00 0.00 C ATOM 284 NH1 ARG A 18 -7.050 -16.237 2.692 1.00 0.00 N ATOM 285 NH2 ARG A 18 -5.419 -16.384 1.131 1.00 0.00 N ATOM 0 H ARG A 18 -7.001 -9.530 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.654 -10.465 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.279 -11.049 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.831 -12.337 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.992 -13.026 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.514 -11.777 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.742 -13.588 2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.911 -12.937 1.745 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.235 -14.708 0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.862 -15.755 3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.702 -17.086 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.957 -16.017 0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.070 -17.233 1.575 1.00 0.00 H new ATOM 299 N VAL A 19 -5.176 -11.664 -2.758 1.00 0.00 N ATOM 300 CA VAL A 19 -4.493 -12.416 -3.849 1.00 0.00 C ATOM 301 C VAL A 19 -3.232 -11.665 -4.286 1.00 0.00 C ATOM 302 O VAL A 19 -2.161 -12.232 -4.369 1.00 0.00 O ATOM 303 CB VAL A 19 -5.440 -12.558 -5.042 1.00 0.00 C ATOM 304 CG1 VAL A 19 -4.680 -13.161 -6.225 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.604 -13.476 -4.664 1.00 0.00 C ATOM 0 H VAL A 19 -6.088 -11.277 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.215 -13.405 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.826 -11.577 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.353 -13.263 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.850 -12.508 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.295 -14.142 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.279 -13.577 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.219 -14.457 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.145 -13.048 -3.820 1.00 0.00 H new ATOM 315 N PHE A 20 -3.350 -10.398 -4.570 1.00 0.00 N ATOM 316 CA PHE A 20 -2.156 -9.617 -5.005 1.00 0.00 C ATOM 317 C PHE A 20 -1.010 -9.829 -4.014 1.00 0.00 C ATOM 318 O PHE A 20 0.095 -10.167 -4.390 1.00 0.00 O ATOM 319 CB PHE A 20 -2.514 -8.130 -5.059 1.00 0.00 C ATOM 320 CG PHE A 20 -1.397 -7.365 -5.731 1.00 0.00 C ATOM 321 CD1 PHE A 20 -0.928 -7.769 -6.988 1.00 0.00 C ATOM 322 CD2 PHE A 20 -0.833 -6.249 -5.098 1.00 0.00 C ATOM 323 CE1 PHE A 20 0.105 -7.058 -7.612 1.00 0.00 C ATOM 324 CE2 PHE A 20 0.201 -5.538 -5.722 1.00 0.00 C ATOM 325 CZ PHE A 20 0.670 -5.942 -6.979 1.00 0.00 C ATOM 0 H PHE A 20 -4.221 -9.869 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.844 -9.955 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.446 -7.989 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.676 -7.747 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.363 -8.629 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.195 -5.937 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.466 -7.370 -8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.636 -4.679 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.467 -5.394 -7.460 1.00 0.00 H new ATOM 335 N LEU A 21 -1.262 -9.629 -2.749 1.00 0.00 N ATOM 336 CA LEU A 21 -0.185 -9.814 -1.735 1.00 0.00 C ATOM 337 C LEU A 21 0.201 -11.293 -1.649 1.00 0.00 C ATOM 338 O LEU A 21 1.307 -11.633 -1.279 1.00 0.00 O ATOM 339 CB LEU A 21 -0.687 -9.338 -0.370 1.00 0.00 C ATOM 340 CG LEU A 21 0.507 -8.965 0.509 1.00 0.00 C ATOM 341 CD1 LEU A 21 0.059 -7.977 1.587 1.00 0.00 C ATOM 342 CD2 LEU A 21 1.062 -10.226 1.174 1.00 0.00 C ATOM 0 H LEU A 21 -2.167 -9.345 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 21 0.689 -9.233 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.345 -8.478 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.273 -10.123 0.108 1.00 0.00 H new ATOM 0 HG LEU A 21 1.281 -8.505 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.910 -7.711 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.338 -7.079 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.715 -8.436 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.913 -9.962 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.287 -10.684 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.381 -10.931 0.407 1.00 0.00 H new ATOM 354 N GLU A 22 -0.700 -12.176 -1.984 1.00 0.00 N ATOM 355 CA GLU A 22 -0.377 -13.630 -1.916 1.00 0.00 C ATOM 356 C GLU A 22 0.728 -13.961 -2.923 1.00 0.00 C ATOM 357 O GLU A 22 1.708 -14.601 -2.596 1.00 0.00 O ATOM 358 CB GLU A 22 -1.630 -14.445 -2.246 1.00 0.00 C ATOM 359 CG GLU A 22 -1.408 -15.906 -1.853 1.00 0.00 C ATOM 360 CD GLU A 22 -0.398 -16.546 -2.807 1.00 0.00 C ATOM 361 OE1 GLU A 22 -0.748 -16.751 -3.958 1.00 0.00 O ATOM 362 OE2 GLU A 22 0.707 -16.822 -2.370 1.00 0.00 O ATOM 0 H GLU A 22 -1.644 -11.954 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.034 -13.878 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.490 -14.041 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.853 -14.374 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.043 -15.966 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.352 -16.450 -1.888 1.00 0.00 H new ATOM 369 N ARG A 23 0.579 -13.530 -4.145 1.00 0.00 N ATOM 370 CA ARG A 23 1.618 -13.821 -5.174 1.00 0.00 C ATOM 371 C ARG A 23 2.842 -12.935 -4.930 1.00 0.00 C ATOM 372 O ARG A 23 3.950 -13.276 -5.297 1.00 0.00 O ATOM 373 CB ARG A 23 1.049 -13.533 -6.566 1.00 0.00 C ATOM 374 CG ARG A 23 1.720 -14.445 -7.595 1.00 0.00 C ATOM 375 CD ARG A 23 0.687 -14.894 -8.630 1.00 0.00 C ATOM 376 NE ARG A 23 1.379 -15.544 -9.778 1.00 0.00 N ATOM 377 CZ ARG A 23 0.794 -16.512 -10.428 1.00 0.00 C ATOM 378 NH1 ARG A 23 -0.323 -16.287 -11.065 1.00 0.00 N ATOM 379 NH2 ARG A 23 1.323 -17.704 -10.440 1.00 0.00 N ATOM 0 H ARG A 23 -0.219 -12.988 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 23 1.911 -14.869 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.029 -13.695 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.215 -12.488 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.537 -13.917 -8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.154 -15.313 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.018 -15.590 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.110 -14.037 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 23 2.310 -15.232 -10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.737 -15.355 -11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.781 -17.043 -11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.195 -17.880 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.865 -18.460 -10.949 1.00 0.00 H new ATOM 393 N LEU A 24 2.652 -11.799 -4.317 1.00 0.00 N ATOM 394 CA LEU A 24 3.804 -10.892 -4.053 1.00 0.00 C ATOM 395 C LEU A 24 4.619 -11.426 -2.874 1.00 0.00 C ATOM 396 O LEU A 24 5.739 -11.017 -2.646 1.00 0.00 O ATOM 397 CB LEU A 24 3.285 -9.490 -3.722 1.00 0.00 C ATOM 398 CG LEU A 24 4.397 -8.466 -3.952 1.00 0.00 C ATOM 399 CD1 LEU A 24 3.918 -7.408 -4.948 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.750 -7.792 -2.624 1.00 0.00 C ATOM 0 H LEU A 24 1.748 -11.460 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 24 4.438 -10.846 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.423 -9.253 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.949 -9.451 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 24 5.278 -8.969 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.710 -6.678 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.664 -7.887 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.038 -6.904 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.543 -7.062 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.869 -7.289 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.090 -8.545 -1.913 1.00 0.00 H new ATOM 412 N GLU A 25 4.067 -12.340 -2.121 1.00 0.00 N ATOM 413 CA GLU A 25 4.815 -12.899 -0.959 1.00 0.00 C ATOM 414 C GLU A 25 5.951 -13.789 -1.465 1.00 0.00 C ATOM 415 O GLU A 25 7.106 -13.575 -1.154 1.00 0.00 O ATOM 416 CB GLU A 25 3.865 -13.727 -0.091 1.00 0.00 C ATOM 417 CG GLU A 25 3.671 -13.035 1.260 1.00 0.00 C ATOM 418 CD GLU A 25 5.023 -12.893 1.960 1.00 0.00 C ATOM 419 OE1 GLU A 25 5.699 -13.897 2.110 1.00 0.00 O ATOM 420 OE2 GLU A 25 5.361 -11.781 2.333 1.00 0.00 O ATOM 0 H GLU A 25 3.132 -12.723 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 25 5.229 -12.083 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.905 -13.842 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.270 -14.728 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.219 -12.053 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.987 -13.613 1.881 1.00 0.00 H new ATOM 427 N GLN A 26 5.634 -14.789 -2.243 1.00 0.00 N ATOM 428 CA GLN A 26 6.699 -15.692 -2.766 1.00 0.00 C ATOM 429 C GLN A 26 7.512 -14.957 -3.833 1.00 0.00 C ATOM 430 O GLN A 26 8.546 -15.424 -4.269 1.00 0.00 O ATOM 431 CB GLN A 26 6.056 -16.939 -3.380 1.00 0.00 C ATOM 432 CG GLN A 26 5.252 -16.542 -4.619 1.00 0.00 C ATOM 433 CD GLN A 26 4.166 -17.587 -4.878 1.00 0.00 C ATOM 434 OE1 GLN A 26 4.293 -18.406 -5.768 1.00 0.00 O ATOM 435 NE2 GLN A 26 3.094 -17.595 -4.133 1.00 0.00 N ATOM 0 H GLN A 26 4.685 -15.019 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 26 7.357 -15.989 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.825 -17.663 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.405 -17.422 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.800 -15.561 -4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.911 -16.465 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.987 -16.908 -3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.364 -18.288 -4.298 1.00 0.00 H new ATOM 444 N SER A 27 7.055 -13.811 -4.256 1.00 0.00 N ATOM 445 CA SER A 27 7.805 -13.049 -5.294 1.00 0.00 C ATOM 446 C SER A 27 9.287 -13.001 -4.917 1.00 0.00 C ATOM 447 O SER A 27 10.154 -13.234 -5.737 1.00 0.00 O ATOM 448 CB SER A 27 7.255 -11.625 -5.378 1.00 0.00 C ATOM 449 OG SER A 27 8.182 -10.806 -6.079 1.00 0.00 O ATOM 0 H SER A 27 6.196 -13.370 -3.928 1.00 0.00 H new ATOM 0 HA SER A 27 7.690 -13.540 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.292 -11.624 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.085 -11.228 -4.377 1.00 0.00 H new ATOM 0 HG SER A 27 7.833 -9.892 -6.137 1.00 0.00 H new ATOM 455 N GLY A 28 9.586 -12.702 -3.682 1.00 0.00 N ATOM 456 CA GLY A 28 11.013 -12.640 -3.254 1.00 0.00 C ATOM 457 C GLY A 28 11.322 -11.248 -2.703 1.00 0.00 C ATOM 458 O GLY A 28 10.469 -10.384 -2.657 1.00 0.00 O ATOM 0 H GLY A 28 8.904 -12.498 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.208 -13.395 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.666 -12.862 -4.098 1.00 0.00 H new ATOM 462 N LEU A 29 12.538 -11.023 -2.285 1.00 0.00 N ATOM 463 CA LEU A 29 12.903 -9.685 -1.738 1.00 0.00 C ATOM 464 C LEU A 29 12.059 -9.393 -0.496 1.00 0.00 C ATOM 465 O LEU A 29 10.930 -9.826 -0.383 1.00 0.00 O ATOM 466 CB LEU A 29 12.640 -8.613 -2.797 1.00 0.00 C ATOM 467 CG LEU A 29 13.861 -7.700 -2.917 1.00 0.00 C ATOM 468 CD1 LEU A 29 14.525 -7.914 -4.278 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.419 -6.240 -2.791 1.00 0.00 C ATOM 0 H LEU A 29 13.294 -11.707 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 29 13.959 -9.679 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.428 -9.081 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.761 -8.028 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 29 14.571 -7.936 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.395 -7.264 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.838 -8.954 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.815 -7.677 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.288 -5.588 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.710 -6.005 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.944 -6.086 -1.822 1.00 0.00 H new ATOM 481 N GLU A 30 12.598 -8.658 0.439 1.00 0.00 N ATOM 482 CA GLU A 30 11.825 -8.336 1.672 1.00 0.00 C ATOM 483 C GLU A 30 11.141 -6.978 1.498 1.00 0.00 C ATOM 484 O GLU A 30 11.545 -6.169 0.686 1.00 0.00 O ATOM 485 CB GLU A 30 12.775 -8.281 2.870 1.00 0.00 C ATOM 486 CG GLU A 30 12.347 -9.321 3.907 1.00 0.00 C ATOM 487 CD GLU A 30 13.030 -9.024 5.243 1.00 0.00 C ATOM 488 OE1 GLU A 30 14.132 -8.500 5.218 1.00 0.00 O ATOM 489 OE2 GLU A 30 12.440 -9.323 6.268 1.00 0.00 O ATOM 0 H GLU A 30 13.539 -8.267 0.402 1.00 0.00 H new ATOM 0 HA GLU A 30 11.072 -9.105 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.798 -8.474 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.763 -7.285 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.264 -9.304 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.613 -10.321 3.565 1.00 0.00 H new ATOM 496 N TRP A 31 10.108 -6.722 2.251 1.00 0.00 N ATOM 497 CA TRP A 31 9.400 -5.417 2.125 1.00 0.00 C ATOM 498 C TRP A 31 8.622 -5.130 3.411 1.00 0.00 C ATOM 499 O TRP A 31 8.254 -6.030 4.139 1.00 0.00 O ATOM 500 CB TRP A 31 8.428 -5.478 0.945 1.00 0.00 C ATOM 501 CG TRP A 31 7.405 -6.539 1.200 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.418 -7.778 0.658 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.223 -6.476 2.049 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.319 -8.481 1.121 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.552 -7.721 1.981 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.672 -5.468 2.865 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.377 -7.958 2.697 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.490 -5.703 3.587 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.844 -6.946 3.502 1.00 0.00 C ATOM 0 H TRP A 31 9.723 -7.359 2.948 1.00 0.00 H new ATOM 0 HA TRP A 31 10.128 -4.624 1.957 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.941 -4.512 0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.970 -5.693 0.024 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.164 -8.157 -0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.103 -9.443 0.859 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.162 -4.508 2.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.883 -8.916 2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.077 -4.924 4.210 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.935 -7.121 4.058 1.00 0.00 H new ATOM 520 N ARG A 32 8.365 -3.882 3.695 1.00 0.00 N ATOM 521 CA ARG A 32 7.611 -3.539 4.933 1.00 0.00 C ATOM 522 C ARG A 32 6.735 -2.309 4.675 1.00 0.00 C ATOM 523 O ARG A 32 7.031 -1.511 3.807 1.00 0.00 O ATOM 524 CB ARG A 32 8.594 -3.236 6.064 1.00 0.00 C ATOM 525 CG ARG A 32 8.651 -4.426 7.025 1.00 0.00 C ATOM 526 CD ARG A 32 9.145 -3.952 8.392 1.00 0.00 C ATOM 527 NE ARG A 32 10.315 -3.047 8.208 1.00 0.00 N ATOM 528 CZ ARG A 32 11.053 -2.721 9.232 1.00 0.00 C ATOM 529 NH1 ARG A 32 10.642 -1.809 10.072 1.00 0.00 N ATOM 530 NH2 ARG A 32 12.205 -3.305 9.418 1.00 0.00 N ATOM 0 H ARG A 32 8.645 -3.085 3.123 1.00 0.00 H new ATOM 0 HA ARG A 32 6.980 -4.381 5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.585 -3.038 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.284 -2.338 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.664 -4.879 7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.317 -5.194 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.346 -3.430 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.426 -4.807 9.006 1.00 0.00 H new ATOM 0 HE ARG A 32 10.538 -2.683 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.742 -1.351 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.221 -1.555 10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.528 -4.016 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.783 -3.050 10.219 1.00 0.00 H new ATOM 544 N PRO A 33 5.680 -2.195 5.442 1.00 0.00 N ATOM 545 CA PRO A 33 4.733 -1.072 5.329 1.00 0.00 C ATOM 546 C PRO A 33 5.303 0.179 6.002 1.00 0.00 C ATOM 547 O PRO A 33 5.809 0.126 7.106 1.00 0.00 O ATOM 548 CB PRO A 33 3.492 -1.575 6.070 1.00 0.00 C ATOM 549 CG PRO A 33 3.977 -2.684 7.034 1.00 0.00 C ATOM 550 CD PRO A 33 5.335 -3.173 6.493 1.00 0.00 C ATOM 0 HA PRO A 33 4.522 -0.790 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.013 -0.765 6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.753 -1.965 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.080 -2.298 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.259 -3.503 7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.091 -3.197 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.262 -4.183 6.089 1.00 0.00 H new ATOM 558 N ALA A 34 5.223 1.305 5.348 1.00 0.00 N ATOM 559 CA ALA A 34 5.758 2.558 5.951 1.00 0.00 C ATOM 560 C ALA A 34 4.660 3.623 5.971 1.00 0.00 C ATOM 561 O ALA A 34 3.745 3.600 5.172 1.00 0.00 O ATOM 562 CB ALA A 34 6.941 3.059 5.121 1.00 0.00 C ATOM 0 H ALA A 34 4.810 1.411 4.421 1.00 0.00 H new ATOM 0 HA ALA A 34 6.089 2.359 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.333 3.976 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.723 2.300 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.611 3.259 4.101 1.00 0.00 H new ATOM 568 N THR A 35 4.743 4.555 6.880 1.00 0.00 N ATOM 569 CA THR A 35 3.703 5.621 6.953 1.00 0.00 C ATOM 570 C THR A 35 3.389 6.128 5.541 1.00 0.00 C ATOM 571 O THR A 35 4.155 5.915 4.624 1.00 0.00 O ATOM 572 CB THR A 35 4.225 6.780 7.807 1.00 0.00 C ATOM 573 OG1 THR A 35 5.644 6.796 7.761 1.00 0.00 O ATOM 574 CG2 THR A 35 3.759 6.602 9.253 1.00 0.00 C ATOM 0 H THR A 35 5.486 4.625 7.576 1.00 0.00 H new ATOM 0 HA THR A 35 2.796 5.216 7.402 1.00 0.00 H new ATOM 0 HB THR A 35 3.838 7.722 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.981 7.538 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.131 7.428 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.670 6.590 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.144 5.661 9.646 1.00 0.00 H new ATOM 582 N PRO A 36 2.265 6.787 5.415 1.00 0.00 N ATOM 583 CA PRO A 36 1.810 7.343 4.129 1.00 0.00 C ATOM 584 C PRO A 36 2.562 8.638 3.809 1.00 0.00 C ATOM 585 O PRO A 36 2.794 8.965 2.662 1.00 0.00 O ATOM 586 CB PRO A 36 0.322 7.618 4.365 1.00 0.00 C ATOM 587 CG PRO A 36 0.136 7.742 5.896 1.00 0.00 C ATOM 588 CD PRO A 36 1.344 7.038 6.543 1.00 0.00 C ATOM 0 HA PRO A 36 1.987 6.675 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.012 8.533 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.290 6.810 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.090 8.788 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.798 7.278 6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.809 7.664 7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.049 6.109 7.031 1.00 0.00 H new ATOM 596 N GLU A 37 2.946 9.375 4.815 1.00 0.00 N ATOM 597 CA GLU A 37 3.683 10.646 4.568 1.00 0.00 C ATOM 598 C GLU A 37 5.086 10.327 4.046 1.00 0.00 C ATOM 599 O GLU A 37 5.653 11.069 3.269 1.00 0.00 O ATOM 600 CB GLU A 37 3.792 11.434 5.874 1.00 0.00 C ATOM 601 CG GLU A 37 3.124 12.799 5.702 1.00 0.00 C ATOM 602 CD GLU A 37 1.895 12.885 6.607 1.00 0.00 C ATOM 603 OE1 GLU A 37 0.875 12.320 6.245 1.00 0.00 O ATOM 604 OE2 GLU A 37 1.992 13.514 7.648 1.00 0.00 O ATOM 0 H GLU A 37 2.781 9.152 5.797 1.00 0.00 H new ATOM 0 HA GLU A 37 3.146 11.241 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.315 10.883 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.839 11.561 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.828 13.594 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.833 12.945 4.662 1.00 0.00 H new ATOM 611 N ASP A 38 5.651 9.228 4.469 1.00 0.00 N ATOM 612 CA ASP A 38 7.016 8.864 3.998 1.00 0.00 C ATOM 613 C ASP A 38 6.966 7.512 3.281 1.00 0.00 C ATOM 614 O ASP A 38 7.934 6.778 3.253 1.00 0.00 O ATOM 615 CB ASP A 38 7.960 8.769 5.199 1.00 0.00 C ATOM 616 CG ASP A 38 8.625 10.126 5.432 1.00 0.00 C ATOM 617 OD1 ASP A 38 8.603 10.940 4.524 1.00 0.00 O ATOM 618 OD2 ASP A 38 9.147 10.330 6.517 1.00 0.00 O ATOM 0 H ASP A 38 5.226 8.568 5.120 1.00 0.00 H new ATOM 0 HA ASP A 38 7.378 9.627 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.406 8.466 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.718 8.006 5.020 1.00 0.00 H new ATOM 623 N ALA A 39 5.846 7.177 2.702 1.00 0.00 N ATOM 624 CA ALA A 39 5.737 5.873 1.988 1.00 0.00 C ATOM 625 C ALA A 39 6.531 5.939 0.682 1.00 0.00 C ATOM 626 O ALA A 39 6.132 6.586 -0.266 1.00 0.00 O ATOM 627 CB ALA A 39 4.267 5.583 1.677 1.00 0.00 C ATOM 0 H ALA A 39 5.002 7.749 2.692 1.00 0.00 H new ATOM 0 HA ALA A 39 6.139 5.079 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.187 4.630 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.701 5.536 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.865 6.377 1.047 1.00 0.00 H new ATOM 633 N ASP A 40 7.652 5.273 0.623 1.00 0.00 N ATOM 634 CA ASP A 40 8.468 5.300 -0.624 1.00 0.00 C ATOM 635 C ASP A 40 7.599 4.886 -1.812 1.00 0.00 C ATOM 636 O ASP A 40 7.726 5.414 -2.899 1.00 0.00 O ATOM 637 CB ASP A 40 9.643 4.328 -0.487 1.00 0.00 C ATOM 638 CG ASP A 40 10.583 4.497 -1.682 1.00 0.00 C ATOM 639 OD1 ASP A 40 10.524 5.538 -2.315 1.00 0.00 O ATOM 640 OD2 ASP A 40 11.346 3.581 -1.945 1.00 0.00 O ATOM 0 H ASP A 40 8.037 4.712 1.383 1.00 0.00 H new ATOM 0 HA ASP A 40 8.848 6.308 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.180 4.518 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.277 3.302 -0.440 1.00 0.00 H new ATOM 645 N ALA A 41 6.715 3.946 -1.617 1.00 0.00 N ATOM 646 CA ALA A 41 5.841 3.502 -2.738 1.00 0.00 C ATOM 647 C ALA A 41 4.386 3.459 -2.266 1.00 0.00 C ATOM 648 O ALA A 41 4.073 2.889 -1.240 1.00 0.00 O ATOM 649 CB ALA A 41 6.271 2.106 -3.197 1.00 0.00 C ATOM 0 H ALA A 41 6.561 3.467 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 41 5.932 4.202 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.632 1.780 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.307 2.137 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.181 1.406 -2.366 1.00 0.00 H new ATOM 655 N VAL A 42 3.494 4.059 -3.007 1.00 0.00 N ATOM 656 CA VAL A 42 2.060 4.052 -2.598 1.00 0.00 C ATOM 657 C VAL A 42 1.285 3.055 -3.463 1.00 0.00 C ATOM 658 O VAL A 42 1.087 3.263 -4.644 1.00 0.00 O ATOM 659 CB VAL A 42 1.472 5.452 -2.783 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.016 5.462 -2.310 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.279 6.457 -1.957 1.00 0.00 C ATOM 0 H VAL A 42 3.696 4.553 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 42 1.983 3.759 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 42 1.515 5.726 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.403 6.460 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.561 4.746 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.026 5.187 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.861 7.455 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.235 6.181 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.317 6.452 -2.290 1.00 0.00 H new ATOM 671 N ILE A 43 0.844 1.972 -2.881 1.00 0.00 N ATOM 672 CA ILE A 43 0.080 0.960 -3.664 1.00 0.00 C ATOM 673 C ILE A 43 -1.406 1.069 -3.317 1.00 0.00 C ATOM 674 O ILE A 43 -1.854 0.581 -2.298 1.00 0.00 O ATOM 675 CB ILE A 43 0.588 -0.440 -3.314 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.112 -0.405 -3.176 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.198 -1.419 -4.422 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.609 -1.749 -2.637 1.00 0.00 C ATOM 0 H ILE A 43 0.980 1.745 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 43 0.218 1.139 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 43 0.143 -0.764 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.570 -0.197 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.408 0.400 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.561 -2.416 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.887 -1.442 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.642 -1.098 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.694 -1.723 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.161 -1.938 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.326 -2.545 -3.326 1.00 0.00 H new ATOM 690 N VAL A 44 -2.176 1.710 -4.155 1.00 0.00 N ATOM 691 CA VAL A 44 -3.632 1.855 -3.871 1.00 0.00 C ATOM 692 C VAL A 44 -4.411 0.763 -4.606 1.00 0.00 C ATOM 693 O VAL A 44 -4.231 0.547 -5.787 1.00 0.00 O ATOM 694 CB VAL A 44 -4.117 3.229 -4.346 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.251 3.709 -3.440 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.963 4.234 -4.288 1.00 0.00 C ATOM 0 H VAL A 44 -1.859 2.139 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.797 1.762 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.475 3.149 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.597 4.686 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.076 2.998 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.890 3.786 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.313 5.209 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.601 4.314 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.153 3.895 -4.933 1.00 0.00 H new ATOM 706 N LEU A 45 -5.281 0.075 -3.916 1.00 0.00 N ATOM 707 CA LEU A 45 -6.075 -1.001 -4.575 1.00 0.00 C ATOM 708 C LEU A 45 -7.307 -0.388 -5.244 1.00 0.00 C ATOM 709 O LEU A 45 -7.982 0.447 -4.675 1.00 0.00 O ATOM 710 CB LEU A 45 -6.524 -2.018 -3.523 1.00 0.00 C ATOM 711 CG LEU A 45 -5.851 -3.365 -3.792 1.00 0.00 C ATOM 712 CD1 LEU A 45 -6.357 -3.937 -5.117 1.00 0.00 C ATOM 713 CD2 LEU A 45 -4.335 -3.170 -3.866 1.00 0.00 C ATOM 0 H LEU A 45 -5.476 0.212 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.461 -1.498 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.265 -1.663 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.608 -2.130 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.091 -4.057 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.876 -4.897 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.437 -4.076 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.119 -3.246 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.854 -4.129 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.096 -2.477 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.974 -2.765 -2.921 1.00 0.00 H new ATOM 725 N ALA A 46 -7.608 -0.794 -6.448 1.00 0.00 N ATOM 726 CA ALA A 46 -8.798 -0.232 -7.147 1.00 0.00 C ATOM 727 C ALA A 46 -9.960 -1.225 -7.056 1.00 0.00 C ATOM 728 O ALA A 46 -10.844 -1.238 -7.890 1.00 0.00 O ATOM 729 CB ALA A 46 -8.456 0.021 -8.616 1.00 0.00 C ATOM 0 H ALA A 46 -7.082 -1.490 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.086 0.708 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.327 0.432 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.630 0.729 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.167 -0.918 -9.089 1.00 0.00 H new ATOM 735 N GLY A 47 -9.964 -2.060 -6.051 1.00 0.00 N ATOM 736 CA GLY A 47 -11.068 -3.053 -5.910 1.00 0.00 C ATOM 737 C GLY A 47 -11.936 -2.692 -4.703 1.00 0.00 C ATOM 738 O GLY A 47 -13.138 -2.872 -4.715 1.00 0.00 O ATOM 0 H GLY A 47 -9.251 -2.097 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.675 -3.067 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.656 -4.054 -5.787 1.00 0.00 H new ATOM 742 N LEU A 48 -11.339 -2.187 -3.657 1.00 0.00 N ATOM 743 CA LEU A 48 -12.133 -1.820 -2.451 1.00 0.00 C ATOM 744 C LEU A 48 -11.983 -0.323 -2.173 1.00 0.00 C ATOM 745 O LEU A 48 -12.305 0.154 -1.104 1.00 0.00 O ATOM 746 CB LEU A 48 -11.627 -2.612 -1.244 1.00 0.00 C ATOM 747 CG LEU A 48 -10.170 -2.238 -0.963 1.00 0.00 C ATOM 748 CD1 LEU A 48 -10.122 -1.105 0.062 1.00 0.00 C ATOM 749 CD2 LEU A 48 -9.432 -3.459 -0.409 1.00 0.00 C ATOM 0 H LEU A 48 -10.336 -2.013 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.183 -2.054 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.243 -2.398 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.708 -3.682 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.693 -1.911 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.084 -0.839 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.650 -0.236 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.598 -1.431 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.394 -3.196 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.910 -3.784 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.467 -4.267 -1.139 1.00 0.00 H new ATOM 761 N TRP A 49 -11.498 0.422 -3.128 1.00 0.00 N ATOM 762 CA TRP A 49 -11.330 1.886 -2.912 1.00 0.00 C ATOM 763 C TRP A 49 -12.695 2.575 -3.017 1.00 0.00 C ATOM 764 O TRP A 49 -12.893 3.662 -2.513 1.00 0.00 O ATOM 765 CB TRP A 49 -10.368 2.453 -3.966 1.00 0.00 C ATOM 766 CG TRP A 49 -11.083 2.644 -5.266 1.00 0.00 C ATOM 767 CD1 TRP A 49 -11.678 1.660 -5.980 1.00 0.00 C ATOM 768 CD2 TRP A 49 -11.289 3.876 -6.015 1.00 0.00 C ATOM 769 NE1 TRP A 49 -12.236 2.211 -7.120 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.023 3.574 -7.186 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.913 5.215 -5.792 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.372 4.565 -8.106 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -11.262 6.215 -6.714 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.991 5.890 -7.869 1.00 0.00 C ATOM 0 H TRP A 49 -11.212 0.081 -4.046 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.915 2.067 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.960 3.404 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.525 1.775 -4.102 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.712 0.616 -5.705 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.743 1.676 -7.825 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.353 5.474 -4.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.932 4.310 -8.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.968 7.239 -6.534 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.258 6.663 -8.575 1.00 0.00 H new ATOM 785 N GLY A 50 -13.637 1.948 -3.668 1.00 0.00 N ATOM 786 CA GLY A 50 -14.987 2.563 -3.803 1.00 0.00 C ATOM 787 C GLY A 50 -15.632 2.684 -2.420 1.00 0.00 C ATOM 788 O GLY A 50 -16.618 3.371 -2.243 1.00 0.00 O ATOM 0 H GLY A 50 -13.529 1.036 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.906 3.547 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.612 1.954 -4.456 1.00 0.00 H new ATOM 792 N THR A 51 -15.078 2.026 -1.438 1.00 0.00 N ATOM 793 CA THR A 51 -15.656 2.107 -0.066 1.00 0.00 C ATOM 794 C THR A 51 -14.859 3.122 0.753 1.00 0.00 C ATOM 795 O THR A 51 -15.413 3.910 1.495 1.00 0.00 O ATOM 796 CB THR A 51 -15.575 0.735 0.605 1.00 0.00 C ATOM 797 OG1 THR A 51 -14.310 0.592 1.236 1.00 0.00 O ATOM 798 CG2 THR A 51 -15.749 -0.362 -0.446 1.00 0.00 C ATOM 0 H THR A 51 -14.251 1.436 -1.526 1.00 0.00 H new ATOM 0 HA THR A 51 -16.699 2.418 -0.125 1.00 0.00 H new ATOM 0 HB THR A 51 -16.366 0.649 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.622 0.432 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.691 -1.339 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.720 -0.252 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.960 -0.278 -1.194 1.00 0.00 H new ATOM 806 N ARG A 52 -13.561 3.111 0.623 1.00 0.00 N ATOM 807 CA ARG A 52 -12.725 4.075 1.390 1.00 0.00 C ATOM 808 C ARG A 52 -12.160 5.126 0.433 1.00 0.00 C ATOM 809 O ARG A 52 -10.975 5.393 0.417 1.00 0.00 O ATOM 810 CB ARG A 52 -11.572 3.326 2.063 1.00 0.00 C ATOM 811 CG ARG A 52 -12.023 2.821 3.435 1.00 0.00 C ATOM 812 CD ARG A 52 -11.406 1.446 3.701 1.00 0.00 C ATOM 813 NE ARG A 52 -11.277 1.237 5.171 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.397 0.038 5.672 1.00 0.00 C ATOM 815 NH1 ARG A 52 -10.449 -0.841 5.494 1.00 0.00 N ATOM 816 NH2 ARG A 52 -12.464 -0.283 6.351 1.00 0.00 N ATOM 0 H ARG A 52 -13.043 2.474 0.017 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.334 4.563 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.256 2.488 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.710 3.985 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.719 3.524 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.110 2.757 3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.029 0.665 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.428 1.376 3.225 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.095 2.031 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.615 -0.591 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.542 -1.778 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.205 0.404 6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.557 -1.220 6.742 1.00 0.00 H new ATOM 830 N ARG A 53 -13.000 5.726 -0.367 1.00 0.00 N ATOM 831 CA ARG A 53 -12.513 6.759 -1.322 1.00 0.00 C ATOM 832 C ARG A 53 -12.119 8.020 -0.551 1.00 0.00 C ATOM 833 O ARG A 53 -11.203 8.727 -0.921 1.00 0.00 O ATOM 834 CB ARG A 53 -13.626 7.095 -2.316 1.00 0.00 C ATOM 835 CG ARG A 53 -13.026 7.296 -3.709 1.00 0.00 C ATOM 836 CD ARG A 53 -13.833 6.495 -4.733 1.00 0.00 C ATOM 837 NE ARG A 53 -13.790 7.185 -6.052 1.00 0.00 N ATOM 838 CZ ARG A 53 -14.678 6.903 -6.966 1.00 0.00 C ATOM 839 NH1 ARG A 53 -15.399 5.819 -6.861 1.00 0.00 N ATOM 840 NH2 ARG A 53 -14.845 7.702 -7.984 1.00 0.00 N ATOM 0 H ARG A 53 -14.003 5.544 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.646 6.378 -1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.362 6.291 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.149 7.998 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.034 8.354 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.985 6.974 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.426 5.488 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.865 6.393 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.066 7.878 -6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.268 5.194 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.093 5.597 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.281 8.548 -8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.539 7.480 -8.698 1.00 0.00 H new ATOM 854 N ASP A 54 -12.807 8.308 0.520 1.00 0.00 N ATOM 855 CA ASP A 54 -12.475 9.522 1.317 1.00 0.00 C ATOM 856 C ASP A 54 -11.012 9.461 1.760 1.00 0.00 C ATOM 857 O ASP A 54 -10.256 10.393 1.568 1.00 0.00 O ATOM 858 CB ASP A 54 -13.378 9.584 2.551 1.00 0.00 C ATOM 859 CG ASP A 54 -14.834 9.394 2.126 1.00 0.00 C ATOM 860 OD1 ASP A 54 -15.216 9.964 1.117 1.00 0.00 O ATOM 861 OD2 ASP A 54 -15.544 8.682 2.817 1.00 0.00 O ATOM 0 H ASP A 54 -13.585 7.754 0.877 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.631 10.410 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.092 8.810 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.257 10.543 3.056 1.00 0.00 H new ATOM 866 N GLU A 55 -10.605 8.371 2.352 1.00 0.00 N ATOM 867 CA GLU A 55 -9.191 8.254 2.806 1.00 0.00 C ATOM 868 C GLU A 55 -8.270 8.182 1.587 1.00 0.00 C ATOM 869 O GLU A 55 -7.383 8.995 1.419 1.00 0.00 O ATOM 870 CB GLU A 55 -9.026 6.983 3.643 1.00 0.00 C ATOM 871 CG GLU A 55 -9.503 7.244 5.073 1.00 0.00 C ATOM 872 CD GLU A 55 -9.925 5.924 5.720 1.00 0.00 C ATOM 873 OE1 GLU A 55 -9.259 4.930 5.480 1.00 0.00 O ATOM 874 OE2 GLU A 55 -10.905 5.928 6.445 1.00 0.00 O ATOM 0 H GLU A 55 -11.191 7.557 2.541 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.931 9.123 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.599 6.168 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.981 6.672 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.706 7.708 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.340 7.942 5.067 1.00 0.00 H new ATOM 881 N ILE A 56 -8.472 7.212 0.739 1.00 0.00 N ATOM 882 CA ILE A 56 -7.608 7.083 -0.467 1.00 0.00 C ATOM 883 C ILE A 56 -7.396 8.460 -1.101 1.00 0.00 C ATOM 884 O ILE A 56 -6.403 8.705 -1.757 1.00 0.00 O ATOM 885 CB ILE A 56 -8.282 6.154 -1.477 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.441 4.762 -0.859 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.419 6.053 -2.735 1.00 0.00 C ATOM 888 CD1 ILE A 56 -7.062 4.133 -0.660 1.00 0.00 C ATOM 0 H ILE A 56 -9.199 6.502 0.830 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.642 6.669 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.262 6.553 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.961 4.834 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.050 4.132 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.900 5.390 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.301 7.043 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.439 5.654 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.174 3.142 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.559 4.048 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.469 4.760 0.005 1.00 0.00 H new ATOM 900 N LEU A 57 -8.321 9.361 -0.914 1.00 0.00 N ATOM 901 CA LEU A 57 -8.169 10.719 -1.509 1.00 0.00 C ATOM 902 C LEU A 57 -7.028 11.463 -0.810 1.00 0.00 C ATOM 903 O LEU A 57 -6.061 11.860 -1.429 1.00 0.00 O ATOM 904 CB LEU A 57 -9.471 11.501 -1.331 1.00 0.00 C ATOM 905 CG LEU A 57 -9.835 12.194 -2.646 1.00 0.00 C ATOM 906 CD1 LEU A 57 -10.823 11.324 -3.425 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.480 13.549 -2.345 1.00 0.00 C ATOM 0 H LEU A 57 -9.175 9.216 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.942 10.625 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.273 10.828 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.358 12.240 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.933 12.342 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.082 11.817 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.367 10.357 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.725 11.176 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.740 14.044 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.382 13.399 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.778 14.170 -1.788 1.00 0.00 H new ATOM 919 N GLY A 58 -7.136 11.658 0.476 1.00 0.00 N ATOM 920 CA GLY A 58 -6.060 12.380 1.214 1.00 0.00 C ATOM 921 C GLY A 58 -4.703 11.750 0.896 1.00 0.00 C ATOM 922 O GLY A 58 -3.685 12.412 0.901 1.00 0.00 O ATOM 0 H GLY A 58 -7.922 11.349 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.057 13.433 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.249 12.336 2.287 1.00 0.00 H new ATOM 926 N ALA A 59 -4.680 10.475 0.619 1.00 0.00 N ATOM 927 CA ALA A 59 -3.387 9.806 0.302 1.00 0.00 C ATOM 928 C ALA A 59 -2.862 10.321 -1.039 1.00 0.00 C ATOM 929 O ALA A 59 -1.768 10.845 -1.130 1.00 0.00 O ATOM 930 CB ALA A 59 -3.604 8.293 0.219 1.00 0.00 C ATOM 0 H ALA A 59 -5.500 9.868 0.599 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.661 10.027 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.659 7.802 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.979 7.926 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.329 8.072 -0.564 1.00 0.00 H new ATOM 936 N VAL A 60 -3.632 10.178 -2.082 1.00 0.00 N ATOM 937 CA VAL A 60 -3.176 10.660 -3.415 1.00 0.00 C ATOM 938 C VAL A 60 -2.680 12.101 -3.290 1.00 0.00 C ATOM 939 O VAL A 60 -1.640 12.458 -3.807 1.00 0.00 O ATOM 940 CB VAL A 60 -4.340 10.605 -4.406 1.00 0.00 C ATOM 941 CG1 VAL A 60 -3.872 11.109 -5.772 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.829 9.161 -4.536 1.00 0.00 C ATOM 0 H VAL A 60 -4.557 9.748 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.366 10.025 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.154 11.235 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.701 11.070 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.522 12.137 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.058 10.480 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.659 9.120 -5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.015 8.532 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.163 8.801 -3.563 1.00 0.00 H new ATOM 952 N ASP A 61 -3.415 12.933 -2.604 1.00 0.00 N ATOM 953 CA ASP A 61 -2.984 14.350 -2.445 1.00 0.00 C ATOM 954 C ASP A 61 -1.577 14.385 -1.846 1.00 0.00 C ATOM 955 O ASP A 61 -0.700 15.069 -2.334 1.00 0.00 O ATOM 956 CB ASP A 61 -3.955 15.079 -1.513 1.00 0.00 C ATOM 957 CG ASP A 61 -4.448 16.360 -2.188 1.00 0.00 C ATOM 958 OD1 ASP A 61 -3.908 16.705 -3.227 1.00 0.00 O ATOM 959 OD2 ASP A 61 -5.358 16.973 -1.656 1.00 0.00 O ATOM 0 H ASP A 61 -4.295 12.693 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.980 14.842 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.800 14.433 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.461 15.319 -0.572 1.00 0.00 H new ATOM 964 N LEU A 62 -1.354 13.647 -0.793 1.00 0.00 N ATOM 965 CA LEU A 62 -0.004 13.633 -0.166 1.00 0.00 C ATOM 966 C LEU A 62 1.037 13.263 -1.222 1.00 0.00 C ATOM 967 O LEU A 62 2.165 13.714 -1.186 1.00 0.00 O ATOM 968 CB LEU A 62 0.025 12.598 0.961 1.00 0.00 C ATOM 969 CG LEU A 62 -0.167 13.299 2.307 1.00 0.00 C ATOM 970 CD1 LEU A 62 -0.036 12.277 3.437 1.00 0.00 C ATOM 971 CD2 LEU A 62 0.900 14.383 2.474 1.00 0.00 C ATOM 0 H LEU A 62 -2.049 13.053 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 62 0.220 14.619 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.761 11.858 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.974 12.061 0.951 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.157 13.755 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.173 12.776 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.795 11.504 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.954 11.821 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.764 14.883 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.890 13.928 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.808 15.112 1.669 1.00 0.00 H new ATOM 983 N ALA A 63 0.664 12.443 -2.167 1.00 0.00 N ATOM 984 CA ALA A 63 1.628 12.041 -3.229 1.00 0.00 C ATOM 985 C ALA A 63 1.892 13.229 -4.158 1.00 0.00 C ATOM 986 O ALA A 63 3.000 13.442 -4.609 1.00 0.00 O ATOM 987 CB ALA A 63 1.038 10.884 -4.039 1.00 0.00 C ATOM 0 H ALA A 63 -0.267 12.034 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 63 2.564 11.725 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.742 10.588 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.849 10.037 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.102 11.202 -4.498 1.00 0.00 H new ATOM 993 N ARG A 64 0.883 14.001 -4.450 1.00 0.00 N ATOM 994 CA ARG A 64 1.077 15.173 -5.352 1.00 0.00 C ATOM 995 C ARG A 64 1.970 16.207 -4.663 1.00 0.00 C ATOM 996 O ARG A 64 2.578 17.040 -5.305 1.00 0.00 O ATOM 997 CB ARG A 64 -0.281 15.801 -5.671 1.00 0.00 C ATOM 998 CG ARG A 64 -0.929 15.048 -6.835 1.00 0.00 C ATOM 999 CD ARG A 64 -2.349 14.632 -6.447 1.00 0.00 C ATOM 1000 NE ARG A 64 -3.165 15.847 -6.172 1.00 0.00 N ATOM 1001 CZ ARG A 64 -3.580 16.591 -7.160 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -2.742 17.373 -7.784 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -4.831 16.550 -7.526 1.00 0.00 N ATOM 0 H ARG A 64 -0.068 13.872 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 64 1.551 14.845 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.927 15.762 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.156 16.853 -5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.954 15.681 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.337 14.168 -7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.802 14.051 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.324 13.991 -5.566 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.399 16.097 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.763 17.402 -7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.066 17.955 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.485 15.936 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.156 17.132 -8.298 1.00 0.00 H new ATOM 1017 N LYS A 65 2.056 16.162 -3.363 1.00 0.00 N ATOM 1018 CA LYS A 65 2.911 17.144 -2.638 1.00 0.00 C ATOM 1019 C LYS A 65 4.298 16.542 -2.407 1.00 0.00 C ATOM 1020 O LYS A 65 5.282 17.247 -2.299 1.00 0.00 O ATOM 1021 CB LYS A 65 2.271 17.482 -1.291 1.00 0.00 C ATOM 1022 CG LYS A 65 1.505 18.801 -1.408 1.00 0.00 C ATOM 1023 CD LYS A 65 2.498 19.958 -1.535 1.00 0.00 C ATOM 1024 CE LYS A 65 2.282 20.674 -2.869 1.00 0.00 C ATOM 1025 NZ LYS A 65 1.271 21.755 -2.697 1.00 0.00 N ATOM 0 H LYS A 65 1.571 15.488 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 65 3.004 18.052 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.596 16.683 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.039 17.562 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.847 18.776 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.872 18.945 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.365 20.657 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.519 19.583 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.223 21.095 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.945 19.964 -3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.125 22.241 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.372 21.342 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.610 22.438 -1.989 1.00 0.00 H new ATOM 1039 N SER A 66 4.386 15.242 -2.327 1.00 0.00 N ATOM 1040 CA SER A 66 5.710 14.597 -2.099 1.00 0.00 C ATOM 1041 C SER A 66 6.156 13.876 -3.373 1.00 0.00 C ATOM 1042 O SER A 66 7.046 13.050 -3.351 1.00 0.00 O ATOM 1043 CB SER A 66 5.594 13.587 -0.957 1.00 0.00 C ATOM 1044 OG SER A 66 6.856 12.962 -0.754 1.00 0.00 O ATOM 0 H SER A 66 3.598 14.599 -2.410 1.00 0.00 H new ATOM 0 HA SER A 66 6.444 15.360 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.272 14.088 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.838 12.838 -1.193 1.00 0.00 H new ATOM 0 HG SER A 66 7.331 12.898 -1.609 1.00 0.00 H new ATOM 1050 N SER A 67 5.544 14.182 -4.484 1.00 0.00 N ATOM 1051 CA SER A 67 5.934 13.514 -5.759 1.00 0.00 C ATOM 1052 C SER A 67 6.083 12.009 -5.525 1.00 0.00 C ATOM 1053 O SER A 67 6.983 11.378 -6.042 1.00 0.00 O ATOM 1054 CB SER A 67 7.264 14.088 -6.248 1.00 0.00 C ATOM 1055 OG SER A 67 8.284 13.775 -5.308 1.00 0.00 O ATOM 0 H SER A 67 4.791 14.865 -4.565 1.00 0.00 H new ATOM 0 HA SER A 67 5.164 13.689 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.514 13.675 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.184 15.168 -6.370 1.00 0.00 H new ATOM 0 HG SER A 67 7.934 13.148 -4.642 1.00 0.00 H new ATOM 1061 N LYS A 68 5.206 11.427 -4.752 1.00 0.00 N ATOM 1062 CA LYS A 68 5.299 9.963 -4.490 1.00 0.00 C ATOM 1063 C LYS A 68 4.635 9.197 -5.638 1.00 0.00 C ATOM 1064 O LYS A 68 3.741 9.706 -6.285 1.00 0.00 O ATOM 1065 CB LYS A 68 4.583 9.633 -3.178 1.00 0.00 C ATOM 1066 CG LYS A 68 5.604 9.150 -2.145 1.00 0.00 C ATOM 1067 CD LYS A 68 6.645 10.245 -1.903 1.00 0.00 C ATOM 1068 CE LYS A 68 7.641 9.776 -0.841 1.00 0.00 C ATOM 1069 NZ LYS A 68 8.900 9.331 -1.502 1.00 0.00 N ATOM 0 H LYS A 68 4.430 11.902 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 68 6.347 9.673 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.062 10.514 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.829 8.864 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.101 8.899 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.092 8.242 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.168 10.476 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.155 11.162 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.851 10.585 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.213 8.958 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.577 9.012 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.692 8.546 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.311 10.123 -2.036 1.00 0.00 H new ATOM 1083 N PRO A 69 5.093 7.990 -5.857 1.00 0.00 N ATOM 1084 CA PRO A 69 4.565 7.120 -6.922 1.00 0.00 C ATOM 1085 C PRO A 69 3.236 6.493 -6.489 1.00 0.00 C ATOM 1086 O PRO A 69 3.172 5.755 -5.526 1.00 0.00 O ATOM 1087 CB PRO A 69 5.649 6.050 -7.081 1.00 0.00 C ATOM 1088 CG PRO A 69 6.440 6.029 -5.751 1.00 0.00 C ATOM 1089 CD PRO A 69 6.182 7.383 -5.063 1.00 0.00 C ATOM 0 HA PRO A 69 4.360 7.653 -7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.206 5.075 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.305 6.283 -7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.112 5.204 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.505 5.885 -5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.890 7.251 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.075 8.009 -5.067 1.00 0.00 H new ATOM 1097 N ILE A 70 2.176 6.784 -7.193 1.00 0.00 N ATOM 1098 CA ILE A 70 0.854 6.206 -6.819 1.00 0.00 C ATOM 1099 C ILE A 70 0.455 5.139 -7.841 1.00 0.00 C ATOM 1100 O ILE A 70 -0.188 5.424 -8.832 1.00 0.00 O ATOM 1101 CB ILE A 70 -0.202 7.312 -6.802 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.351 8.534 -6.065 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -1.455 6.809 -6.085 1.00 0.00 C ATOM 1104 CD1 ILE A 70 0.051 9.796 -6.876 1.00 0.00 C ATOM 0 H ILE A 70 2.168 7.396 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 70 0.924 5.755 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.455 7.589 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.099 8.609 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.426 8.429 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.208 7.597 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.849 5.938 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.202 6.533 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.444 10.667 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.521 9.719 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.027 9.902 -6.998 1.00 0.00 H new ATOM 1116 N ILE A 71 0.827 3.911 -7.606 1.00 0.00 N ATOM 1117 CA ILE A 71 0.464 2.829 -8.564 1.00 0.00 C ATOM 1118 C ILE A 71 -0.847 2.179 -8.118 1.00 0.00 C ATOM 1119 O ILE A 71 -0.995 1.773 -6.982 1.00 0.00 O ATOM 1120 CB ILE A 71 1.576 1.778 -8.593 1.00 0.00 C ATOM 1121 CG1 ILE A 71 2.829 2.381 -9.231 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.119 0.571 -9.416 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.002 2.274 -8.254 1.00 0.00 C ATOM 0 H ILE A 71 1.366 3.610 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 71 0.341 3.249 -9.562 1.00 0.00 H new ATOM 0 HB ILE A 71 1.800 1.460 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.065 1.858 -10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.652 3.425 -9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.912 -0.177 -9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.225 0.140 -8.965 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.894 0.889 -10.434 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.895 2.704 -8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.764 2.816 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.184 1.226 -8.017 1.00 0.00 H new ATOM 1135 N THR A 72 -1.801 2.078 -9.003 1.00 0.00 N ATOM 1136 CA THR A 72 -3.102 1.456 -8.628 1.00 0.00 C ATOM 1137 C THR A 72 -3.159 0.024 -9.166 1.00 0.00 C ATOM 1138 O THR A 72 -2.874 -0.228 -10.319 1.00 0.00 O ATOM 1139 CB THR A 72 -4.250 2.271 -9.228 1.00 0.00 C ATOM 1140 OG1 THR A 72 -4.133 3.625 -8.814 1.00 0.00 O ATOM 1141 CG2 THR A 72 -5.587 1.703 -8.750 1.00 0.00 C ATOM 0 H THR A 72 -1.736 2.399 -9.969 1.00 0.00 H new ATOM 0 HA THR A 72 -3.196 1.440 -7.542 1.00 0.00 H new ATOM 0 HB THR A 72 -4.204 2.217 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.643 4.199 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.403 2.285 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.676 0.664 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.636 1.755 -7.662 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.527 -0.913 -8.337 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.606 -2.328 -8.797 1.00 0.00 C ATOM 1151 C VAL A 73 -5.022 -2.619 -9.296 1.00 0.00 C ATOM 1152 O VAL A 73 -5.993 -2.432 -8.588 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.275 -3.261 -7.632 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.593 -4.705 -8.027 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.789 -3.143 -7.291 1.00 0.00 C ATOM 0 H VAL A 73 -3.777 -0.760 -7.360 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.893 -2.490 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.872 -2.982 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.357 -5.370 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.652 -4.791 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.997 -4.984 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.552 -3.808 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.193 -3.422 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.561 -2.115 -7.009 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.148 -3.076 -10.511 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.499 -3.379 -11.058 1.00 0.00 C ATOM 1167 C ARG A 74 -7.276 -4.238 -10.056 1.00 0.00 C ATOM 1168 O ARG A 74 -6.690 -4.960 -9.275 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.354 -4.145 -12.375 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.429 -3.166 -13.547 1.00 0.00 C ATOM 1171 CD ARG A 74 -6.890 -3.909 -14.803 1.00 0.00 C ATOM 1172 NE ARG A 74 -6.109 -5.169 -14.947 1.00 0.00 N ATOM 1173 CZ ARG A 74 -5.160 -5.249 -15.839 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -3.945 -4.887 -15.533 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -5.426 -5.690 -17.037 1.00 0.00 N ATOM 0 H ARG A 74 -4.372 -3.253 -11.149 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.037 -2.447 -11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.404 -4.679 -12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.142 -4.893 -12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.122 -2.357 -13.315 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.453 -2.711 -13.718 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.954 -4.134 -14.736 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.752 -3.280 -15.682 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.316 -5.969 -14.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.736 -4.541 -14.596 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.203 -4.950 -16.230 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.376 -5.973 -17.277 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.684 -5.752 -17.734 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.579 -4.132 -10.114 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.477 -4.889 -9.226 1.00 0.00 C ATOM 1191 C PRO A 75 -9.595 -6.339 -9.705 1.00 0.00 C ATOM 1192 O PRO A 75 -8.750 -6.836 -10.422 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.814 -4.155 -9.358 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.765 -3.395 -10.705 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.276 -3.247 -11.071 1.00 0.00 C ATOM 0 HA PRO A 75 -9.127 -4.937 -8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.646 -4.858 -9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.961 -3.464 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.302 -3.943 -11.479 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.242 -2.419 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.087 -3.547 -12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.943 -2.214 -10.974 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.635 -7.024 -9.316 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.795 -8.439 -9.754 1.00 0.00 C ATOM 1205 C TYR A 76 -12.067 -8.578 -10.593 1.00 0.00 C ATOM 1206 O TYR A 76 -12.544 -9.669 -10.836 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.890 -9.350 -8.529 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.040 -10.577 -8.753 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -10.557 -11.665 -9.471 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -8.734 -10.628 -8.247 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.767 -12.803 -9.683 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -7.945 -11.766 -8.459 1.00 0.00 C ATOM 1213 CZ TYR A 76 -8.461 -12.854 -9.177 1.00 0.00 C ATOM 1214 OH TYR A 76 -7.684 -13.974 -9.386 1.00 0.00 O ATOM 0 H TYR A 76 -11.378 -6.667 -8.716 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.932 -8.728 -10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.554 -8.818 -7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.927 -9.638 -8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.564 -11.626 -9.860 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.336 -9.790 -7.694 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.165 -13.641 -10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.939 -11.805 -8.069 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.806 -13.845 -8.971 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.618 -7.484 -11.043 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.856 -7.562 -11.869 1.00 0.00 C ATOM 1226 C GLY A 77 -14.941 -6.667 -11.267 1.00 0.00 C ATOM 1227 O GLY A 77 -16.071 -6.662 -11.714 1.00 0.00 O ATOM 0 H GLY A 77 -12.265 -6.542 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.642 -7.251 -12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.208 -8.593 -11.917 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.610 -5.909 -10.257 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.629 -5.017 -9.635 1.00 0.00 C ATOM 1233 C LEU A 78 -15.519 -3.618 -10.243 1.00 0.00 C ATOM 1234 O LEU A 78 -15.120 -2.677 -9.588 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.389 -4.939 -8.125 1.00 0.00 C ATOM 1236 CG LEU A 78 -15.860 -6.234 -7.462 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -14.668 -6.934 -6.806 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -16.909 -5.909 -6.395 1.00 0.00 C ATOM 0 H LEU A 78 -13.681 -5.869 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.625 -5.418 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.330 -4.780 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.925 -4.088 -7.705 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.298 -6.889 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.003 -7.857 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.920 -7.165 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.231 -6.279 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.245 -6.832 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.471 -5.254 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.759 -5.410 -6.860 1.00 0.00 H new ATOM 1250 N GLU A 79 -15.866 -3.478 -11.494 1.00 0.00 N ATOM 1251 CA GLU A 79 -15.783 -2.150 -12.157 1.00 0.00 C ATOM 1252 C GLU A 79 -14.325 -1.731 -12.290 1.00 0.00 C ATOM 1253 O GLU A 79 -13.526 -1.894 -11.390 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.540 -1.103 -11.342 1.00 0.00 C ATOM 1255 CG GLU A 79 -16.471 0.245 -12.060 1.00 0.00 C ATOM 1256 CD GLU A 79 -17.748 0.452 -12.878 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -18.486 -0.507 -13.039 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -17.965 1.563 -13.330 1.00 0.00 O ATOM 0 H GLU A 79 -16.206 -4.235 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.233 -2.225 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.579 -1.407 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.107 -1.019 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.356 1.050 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.599 0.277 -12.713 1.00 0.00 H new ATOM 1265 N ASN A 80 -13.983 -1.191 -13.418 1.00 0.00 N ATOM 1266 CA ASN A 80 -12.578 -0.748 -13.647 1.00 0.00 C ATOM 1267 C ASN A 80 -12.343 0.592 -12.948 1.00 0.00 C ATOM 1268 O ASN A 80 -13.111 1.006 -12.100 1.00 0.00 O ATOM 1269 CB ASN A 80 -12.336 -0.585 -15.150 1.00 0.00 C ATOM 1270 CG ASN A 80 -11.453 -1.729 -15.651 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -10.339 -1.509 -16.081 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -11.909 -2.951 -15.615 1.00 0.00 N ATOM 0 H ASN A 80 -14.618 -1.034 -14.201 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.892 -1.493 -13.244 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -13.286 -0.584 -15.684 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.857 0.373 -15.350 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.330 -3.722 -15.948 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.845 -3.136 -15.254 1.00 0.00 H new ATOM 1279 N VAL A 81 -11.288 1.276 -13.297 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.004 2.590 -12.654 1.00 0.00 C ATOM 1281 C VAL A 81 -11.653 3.708 -13.475 1.00 0.00 C ATOM 1282 O VAL A 81 -11.809 3.584 -14.674 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.492 2.814 -12.594 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -8.895 1.974 -11.463 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -8.863 2.396 -13.924 1.00 0.00 C ATOM 0 H VAL A 81 -10.610 0.982 -14.000 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.411 2.596 -11.643 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.288 3.869 -12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.818 2.134 -11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.343 2.270 -10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.098 0.919 -11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.785 2.555 -13.883 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.067 1.341 -14.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.287 2.993 -14.731 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.012 4.770 -12.801 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.650 5.936 -13.436 1.00 0.00 C ATOM 1297 C PRO A 82 -11.602 6.793 -14.155 1.00 0.00 C ATOM 1298 O PRO A 82 -10.418 6.545 -14.042 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.262 6.695 -12.257 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.479 6.252 -10.997 1.00 0.00 C ATOM 1301 CD PRO A 82 -11.817 4.906 -11.342 1.00 0.00 C ATOM 0 HA PRO A 82 -13.388 5.664 -14.191 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.182 7.772 -12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.323 6.465 -12.156 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.729 6.995 -10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.147 6.147 -10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.759 4.904 -11.080 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.282 4.083 -10.800 1.00 0.00 H new ATOM 1309 N PRO A 83 -12.074 7.780 -14.873 1.00 0.00 N ATOM 1310 CA PRO A 83 -11.206 8.701 -15.626 1.00 0.00 C ATOM 1311 C PRO A 83 -10.577 9.730 -14.682 1.00 0.00 C ATOM 1312 O PRO A 83 -9.748 10.526 -15.078 1.00 0.00 O ATOM 1313 CB PRO A 83 -12.167 9.376 -16.609 1.00 0.00 C ATOM 1314 CG PRO A 83 -13.583 9.235 -16.002 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.517 8.068 -14.999 1.00 0.00 C ATOM 0 HA PRO A 83 -10.377 8.200 -16.126 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.907 10.425 -16.748 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.116 8.902 -17.589 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.885 10.157 -15.505 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.320 9.036 -16.780 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.954 8.343 -14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.066 7.199 -15.362 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.966 9.718 -13.437 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.392 10.694 -12.469 1.00 0.00 C ATOM 1325 C GLU A 84 -9.057 10.162 -11.943 1.00 0.00 C ATOM 1326 O GLU A 84 -8.061 10.859 -11.933 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.363 10.886 -11.299 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.802 10.724 -11.795 1.00 0.00 C ATOM 1329 CD GLU A 84 -13.752 11.471 -10.857 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -13.721 11.194 -9.669 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -14.496 12.308 -11.342 1.00 0.00 O ATOM 0 H GLU A 84 -11.656 9.075 -13.048 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.232 11.650 -12.967 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.153 10.158 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.228 11.874 -10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.894 11.113 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.068 9.668 -11.834 1.00 0.00 H new ATOM 1338 N LEU A 85 -9.027 8.933 -11.507 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.756 8.359 -10.983 1.00 0.00 C ATOM 1340 C LEU A 85 -6.766 8.177 -12.137 1.00 0.00 C ATOM 1341 O LEU A 85 -5.566 8.207 -11.947 1.00 0.00 O ATOM 1342 CB LEU A 85 -8.037 7.001 -10.335 1.00 0.00 C ATOM 1343 CG LEU A 85 -7.609 7.041 -8.867 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -8.756 6.537 -7.989 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.385 6.143 -8.669 1.00 0.00 C ATOM 0 H LEU A 85 -9.828 8.301 -11.491 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.331 9.035 -10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.098 6.763 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.496 6.215 -10.862 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.359 8.065 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.452 6.565 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.629 7.174 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.004 5.513 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.079 6.171 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.636 5.119 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.567 6.499 -9.296 1.00 0.00 H new ATOM 1357 N GLU A 86 -7.259 7.991 -13.331 1.00 0.00 N ATOM 1358 CA GLU A 86 -6.345 7.811 -14.494 1.00 0.00 C ATOM 1359 C GLU A 86 -5.581 9.113 -14.745 1.00 0.00 C ATOM 1360 O GLU A 86 -4.625 9.149 -15.494 1.00 0.00 O ATOM 1361 CB GLU A 86 -7.163 7.452 -15.737 1.00 0.00 C ATOM 1362 CG GLU A 86 -6.913 5.990 -16.110 1.00 0.00 C ATOM 1363 CD GLU A 86 -7.265 5.770 -17.582 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -7.432 6.754 -18.283 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -7.362 4.622 -17.982 1.00 0.00 O ATOM 0 H GLU A 86 -8.254 7.956 -13.551 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.639 7.008 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.224 7.613 -15.546 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.887 8.102 -16.567 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.869 5.732 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.515 5.335 -15.480 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.995 10.183 -14.122 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.292 11.481 -14.322 1.00 0.00 C ATOM 1374 C ALA A 87 -4.344 11.730 -13.147 1.00 0.00 C ATOM 1375 O ALA A 87 -3.501 12.604 -13.190 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.321 12.610 -14.398 1.00 0.00 C ATOM 0 H ALA A 87 -6.790 10.214 -13.483 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.721 11.449 -15.250 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.808 13.561 -14.544 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.997 12.430 -15.234 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.892 12.645 -13.470 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.473 10.963 -12.099 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.579 11.148 -10.922 1.00 0.00 C ATOM 1384 C VAL A 88 -2.864 9.830 -10.615 1.00 0.00 C ATOM 1385 O VAL A 88 -2.203 9.691 -9.605 1.00 0.00 O ATOM 1386 CB VAL A 88 -4.412 11.570 -9.710 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.857 13.024 -9.875 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -5.644 10.671 -9.602 1.00 0.00 C ATOM 0 H VAL A 88 -5.160 10.215 -12.007 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.842 11.920 -11.142 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.810 11.475 -8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.450 13.323 -9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.980 13.666 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.458 13.120 -10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.238 10.971 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.244 10.766 -10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.329 9.634 -9.483 1.00 0.00 H new ATOM 1398 N SER A 89 -2.989 8.859 -11.481 1.00 0.00 N ATOM 1399 CA SER A 89 -2.316 7.552 -11.237 1.00 0.00 C ATOM 1400 C SER A 89 -0.962 7.535 -11.951 1.00 0.00 C ATOM 1401 O SER A 89 -0.859 7.866 -13.116 1.00 0.00 O ATOM 1402 CB SER A 89 -3.190 6.420 -11.775 1.00 0.00 C ATOM 1403 OG SER A 89 -3.682 6.776 -13.060 1.00 0.00 O ATOM 0 H SER A 89 -3.528 8.915 -12.345 1.00 0.00 H new ATOM 0 HA SER A 89 -2.164 7.416 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.613 5.497 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.020 6.231 -11.095 1.00 0.00 H new ATOM 0 HG SER A 89 -4.431 7.400 -12.962 1.00 0.00 H new ATOM 1409 N SER A 90 0.076 7.151 -11.261 1.00 0.00 N ATOM 1410 CA SER A 90 1.422 7.114 -11.896 1.00 0.00 C ATOM 1411 C SER A 90 1.526 5.888 -12.807 1.00 0.00 C ATOM 1412 O SER A 90 2.108 5.944 -13.872 1.00 0.00 O ATOM 1413 CB SER A 90 2.494 7.032 -10.809 1.00 0.00 C ATOM 1414 OG SER A 90 2.869 8.346 -10.418 1.00 0.00 O ATOM 0 H SER A 90 0.050 6.861 -10.283 1.00 0.00 H new ATOM 0 HA SER A 90 1.569 8.018 -12.487 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.115 6.479 -9.950 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.363 6.489 -11.180 1.00 0.00 H new ATOM 0 HG SER A 90 3.660 8.302 -9.842 1.00 0.00 H new ATOM 1420 N GLU A 91 0.972 4.780 -12.397 1.00 0.00 N ATOM 1421 CA GLU A 91 1.047 3.555 -13.244 1.00 0.00 C ATOM 1422 C GLU A 91 -0.046 2.570 -12.828 1.00 0.00 C ATOM 1423 O GLU A 91 -0.743 2.773 -11.855 1.00 0.00 O ATOM 1424 CB GLU A 91 2.417 2.897 -13.068 1.00 0.00 C ATOM 1425 CG GLU A 91 3.252 3.110 -14.332 1.00 0.00 C ATOM 1426 CD GLU A 91 3.385 1.785 -15.085 1.00 0.00 C ATOM 1427 OE1 GLU A 91 2.416 1.377 -15.701 1.00 0.00 O ATOM 1428 OE2 GLU A 91 4.455 1.201 -15.029 1.00 0.00 O ATOM 0 H GLU A 91 0.472 4.670 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 91 0.904 3.831 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.929 3.323 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.298 1.831 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.781 3.857 -14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.239 3.492 -14.069 1.00 0.00 H new ATOM 1435 N VAL A 92 -0.196 1.502 -13.563 1.00 0.00 N ATOM 1436 CA VAL A 92 -1.240 0.497 -13.216 1.00 0.00 C ATOM 1437 C VAL A 92 -0.593 -0.883 -13.084 1.00 0.00 C ATOM 1438 O VAL A 92 0.449 -1.149 -13.649 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.300 0.459 -14.318 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -3.137 1.737 -14.266 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.613 0.356 -15.681 1.00 0.00 C ATOM 0 H VAL A 92 0.360 1.282 -14.389 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.709 0.772 -12.271 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.947 -0.405 -14.169 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.892 1.710 -15.051 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.626 1.812 -13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.490 2.602 -14.415 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.367 0.329 -16.467 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.966 1.221 -15.829 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.016 -0.555 -15.719 1.00 0.00 H new ATOM 1451 N VAL A 93 -1.203 -1.765 -12.341 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.623 -3.127 -12.173 1.00 0.00 C ATOM 1453 C VAL A 93 -1.650 -4.177 -12.601 1.00 0.00 C ATOM 1454 O VAL A 93 -2.839 -4.002 -12.427 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.251 -3.346 -10.706 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.728 -4.517 -10.596 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.406 -2.080 -10.155 1.00 0.00 C ATOM 0 H VAL A 93 -2.078 -1.601 -11.843 1.00 0.00 H new ATOM 0 HA VAL A 93 0.269 -3.219 -12.792 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.150 -3.570 -10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.993 -4.673 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.261 -5.420 -10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.628 -4.294 -11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.672 -2.234 -9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.305 -1.857 -10.729 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.290 -1.245 -10.233 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.200 -5.267 -13.160 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.151 -6.327 -13.596 1.00 0.00 C ATOM 1469 C GLY A 94 -1.981 -7.560 -12.707 1.00 0.00 C ATOM 1470 O GLY A 94 -1.418 -7.489 -11.633 1.00 0.00 O ATOM 0 H GLY A 94 -0.215 -5.469 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.175 -5.959 -13.535 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.968 -6.589 -14.638 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.464 -8.689 -13.146 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.327 -9.923 -12.324 1.00 0.00 C ATOM 1476 C TRP A 95 -1.138 -10.740 -12.828 1.00 0.00 C ATOM 1477 O TRP A 95 -1.026 -11.921 -12.564 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.606 -10.752 -12.436 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.681 -10.105 -11.622 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.814 -9.559 -12.122 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -4.740 -9.922 -10.178 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.566 -9.054 -11.075 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -5.947 -9.254 -9.858 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -3.873 -10.269 -9.125 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.280 -8.940 -8.540 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.205 -9.956 -7.796 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.406 -9.292 -7.505 1.00 0.00 C ATOM 0 H TRP A 95 -2.947 -8.810 -14.036 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.162 -9.652 -11.281 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.916 -10.826 -13.478 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.428 -11.768 -12.084 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.087 -9.523 -13.166 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.467 -8.591 -11.189 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -2.946 -10.780 -9.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.206 -8.429 -8.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.533 -10.228 -6.995 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.656 -9.052 -6.482 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.246 -10.119 -13.550 1.00 0.00 N ATOM 1499 CA ASN A 96 0.939 -10.856 -14.069 1.00 0.00 C ATOM 1500 C ASN A 96 2.051 -10.828 -13.017 1.00 0.00 C ATOM 1501 O ASN A 96 2.081 -9.952 -12.175 1.00 0.00 O ATOM 1502 CB ASN A 96 1.433 -10.188 -15.355 1.00 0.00 C ATOM 1503 CG ASN A 96 0.232 -9.745 -16.194 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.358 -10.541 -16.897 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -0.157 -8.501 -16.150 1.00 0.00 N ATOM 0 H ASN A 96 -0.287 -9.132 -13.803 1.00 0.00 H new ATOM 0 HA ASN A 96 0.664 -11.889 -14.282 1.00 0.00 H new ATOM 0 HB2 ASN A 96 2.058 -9.329 -15.114 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.051 -10.883 -15.924 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.956 -8.197 -16.706 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.338 -7.832 -15.560 1.00 0.00 H new ATOM 1512 N PRO A 97 2.932 -11.790 -13.097 1.00 0.00 N ATOM 1513 CA PRO A 97 4.065 -11.909 -12.161 1.00 0.00 C ATOM 1514 C PRO A 97 5.165 -10.908 -12.521 1.00 0.00 C ATOM 1515 O PRO A 97 5.841 -10.378 -11.661 1.00 0.00 O ATOM 1516 CB PRO A 97 4.544 -13.349 -12.360 1.00 0.00 C ATOM 1517 CG PRO A 97 4.052 -13.784 -13.761 1.00 0.00 C ATOM 1518 CD PRO A 97 2.886 -12.847 -14.127 1.00 0.00 C ATOM 0 HA PRO A 97 3.793 -11.696 -11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.630 -13.409 -12.294 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.141 -14.003 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.855 -13.709 -14.494 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.725 -14.824 -13.752 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.007 -12.433 -15.128 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.932 -13.374 -14.114 1.00 0.00 H new ATOM 1526 N HIS A 98 5.351 -10.646 -13.785 1.00 0.00 N ATOM 1527 CA HIS A 98 6.408 -9.681 -14.198 1.00 0.00 C ATOM 1528 C HIS A 98 5.923 -8.251 -13.949 1.00 0.00 C ATOM 1529 O HIS A 98 6.705 -7.328 -13.852 1.00 0.00 O ATOM 1530 CB HIS A 98 6.710 -9.866 -15.687 1.00 0.00 C ATOM 1531 CG HIS A 98 8.119 -10.365 -15.856 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.432 -11.716 -15.843 1.00 0.00 N ATOM 1533 CD2 HIS A 98 9.309 -9.707 -16.043 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.761 -11.825 -16.019 1.00 0.00 C ATOM 1535 NE2 HIS A 98 10.345 -10.631 -16.145 1.00 0.00 N ATOM 0 H HIS A 98 4.817 -11.058 -14.550 1.00 0.00 H new ATOM 0 HA HIS A 98 7.312 -9.862 -13.617 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.007 -10.574 -16.126 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.582 -8.921 -16.215 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.424 -8.635 -16.102 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.292 -12.765 -16.054 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.337 -10.438 -16.286 1.00 0.00 H new ATOM 1543 N CYS A 99 4.635 -8.060 -13.846 1.00 0.00 N ATOM 1544 CA CYS A 99 4.100 -6.689 -13.605 1.00 0.00 C ATOM 1545 C CYS A 99 4.429 -6.254 -12.175 1.00 0.00 C ATOM 1546 O CYS A 99 4.253 -5.109 -11.809 1.00 0.00 O ATOM 1547 CB CYS A 99 2.583 -6.694 -13.798 1.00 0.00 C ATOM 1548 SG CYS A 99 2.179 -5.986 -15.415 1.00 0.00 S ATOM 0 H CYS A 99 3.930 -8.794 -13.918 1.00 0.00 H new ATOM 0 HA CYS A 99 4.556 -5.993 -14.310 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.200 -7.712 -13.729 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.103 -6.118 -13.007 1.00 0.00 H new ATOM 0 HG CYS A 99 0.896 -5.796 -15.497 1.00 0.00 H new ATOM 1554 N ILE A 100 4.904 -7.158 -11.362 1.00 0.00 N ATOM 1555 CA ILE A 100 5.241 -6.792 -9.958 1.00 0.00 C ATOM 1556 C ILE A 100 6.562 -6.020 -9.933 1.00 0.00 C ATOM 1557 O ILE A 100 6.610 -4.862 -9.568 1.00 0.00 O ATOM 1558 CB ILE A 100 5.381 -8.063 -9.119 1.00 0.00 C ATOM 1559 CG1 ILE A 100 4.176 -8.974 -9.365 1.00 0.00 C ATOM 1560 CG2 ILE A 100 5.444 -7.692 -7.636 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.893 -8.249 -8.956 1.00 0.00 C ATOM 0 H ILE A 100 5.073 -8.133 -11.610 1.00 0.00 H new ATOM 0 HA ILE A 100 4.447 -6.168 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 100 6.295 -8.585 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.128 -9.254 -10.417 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.282 -9.897 -8.794 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.544 -8.598 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.303 -7.044 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.531 -7.169 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.036 -8.899 -9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.942 -7.991 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.785 -7.339 -9.546 1.00 0.00 H new ATOM 1573 N ARG A 101 7.637 -6.655 -10.315 1.00 0.00 N ATOM 1574 CA ARG A 101 8.956 -5.961 -10.309 1.00 0.00 C ATOM 1575 C ARG A 101 8.990 -4.906 -11.417 1.00 0.00 C ATOM 1576 O ARG A 101 9.624 -3.877 -11.287 1.00 0.00 O ATOM 1577 CB ARG A 101 10.069 -6.984 -10.547 1.00 0.00 C ATOM 1578 CG ARG A 101 11.208 -6.742 -9.556 1.00 0.00 C ATOM 1579 CD ARG A 101 11.323 -7.937 -8.608 1.00 0.00 C ATOM 1580 NE ARG A 101 12.699 -7.991 -8.040 1.00 0.00 N ATOM 1581 CZ ARG A 101 13.445 -9.044 -8.233 1.00 0.00 C ATOM 1582 NH1 ARG A 101 12.917 -10.236 -8.185 1.00 0.00 N ATOM 1583 NH2 ARG A 101 14.720 -8.903 -8.473 1.00 0.00 N ATOM 0 H ARG A 101 7.658 -7.625 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 101 9.104 -5.475 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.679 -7.995 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.439 -6.903 -11.569 1.00 0.00 H new ATOM 0 HG2 ARG A 101 12.146 -6.598 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.022 -5.830 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.590 -7.850 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.102 -8.861 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 101 13.058 -7.204 -7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.921 -10.345 -7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.501 -11.059 -8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 101 15.132 -7.971 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.304 -9.725 -8.624 1.00 0.00 H new ATOM 1597 N ASP A 102 8.315 -5.150 -12.507 1.00 0.00 N ATOM 1598 CA ASP A 102 8.315 -4.159 -13.621 1.00 0.00 C ATOM 1599 C ASP A 102 7.780 -2.816 -13.119 1.00 0.00 C ATOM 1600 O ASP A 102 8.226 -1.765 -13.535 1.00 0.00 O ATOM 1601 CB ASP A 102 7.426 -4.668 -14.757 1.00 0.00 C ATOM 1602 CG ASP A 102 7.207 -3.549 -15.776 1.00 0.00 C ATOM 1603 OD1 ASP A 102 8.179 -2.909 -16.143 1.00 0.00 O ATOM 1604 OD2 ASP A 102 6.071 -3.350 -16.173 1.00 0.00 O ATOM 0 H ASP A 102 7.764 -5.992 -12.674 1.00 0.00 H new ATOM 0 HA ASP A 102 9.334 -4.028 -13.985 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.891 -5.527 -15.240 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.468 -5.005 -14.360 1.00 0.00 H new ATOM 1609 N ALA A 103 6.823 -2.839 -12.232 1.00 0.00 N ATOM 1610 CA ALA A 103 6.259 -1.561 -11.713 1.00 0.00 C ATOM 1611 C ALA A 103 7.235 -0.928 -10.719 1.00 0.00 C ATOM 1612 O ALA A 103 7.315 0.279 -10.598 1.00 0.00 O ATOM 1613 CB ALA A 103 4.927 -1.839 -11.013 1.00 0.00 C ATOM 0 H ALA A 103 6.408 -3.686 -11.845 1.00 0.00 H new ATOM 0 HA ALA A 103 6.099 -0.875 -12.545 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.514 -0.905 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.229 -2.283 -11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.088 -2.528 -10.184 1.00 0.00 H new ATOM 1619 N LEU A 104 7.975 -1.728 -10.001 1.00 0.00 N ATOM 1620 CA LEU A 104 8.939 -1.163 -9.015 1.00 0.00 C ATOM 1621 C LEU A 104 10.151 -0.585 -9.750 1.00 0.00 C ATOM 1622 O LEU A 104 10.841 0.277 -9.243 1.00 0.00 O ATOM 1623 CB LEU A 104 9.399 -2.266 -8.058 1.00 0.00 C ATOM 1624 CG LEU A 104 8.569 -2.204 -6.773 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.613 -3.560 -6.069 1.00 0.00 C ATOM 1626 CD2 LEU A 104 9.145 -1.131 -5.847 1.00 0.00 C ATOM 0 H LEU A 104 7.954 -2.746 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 104 8.450 -0.371 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.286 -3.242 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.457 -2.144 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 104 7.536 -1.957 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.022 -3.514 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.204 -4.326 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.645 -3.808 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.555 -1.086 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.178 -1.379 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.113 -0.163 -6.347 1.00 0.00 H new ATOM 1638 N GLU A 105 10.414 -1.047 -10.942 1.00 0.00 N ATOM 1639 CA GLU A 105 11.580 -0.517 -11.704 1.00 0.00 C ATOM 1640 C GLU A 105 11.295 0.925 -12.131 1.00 0.00 C ATOM 1641 O GLU A 105 12.199 1.695 -12.392 1.00 0.00 O ATOM 1642 CB GLU A 105 11.817 -1.377 -12.946 1.00 0.00 C ATOM 1643 CG GLU A 105 13.091 -0.909 -13.655 1.00 0.00 C ATOM 1644 CD GLU A 105 14.301 -1.167 -12.757 1.00 0.00 C ATOM 1645 OE1 GLU A 105 14.800 -2.281 -12.771 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.710 -0.247 -12.068 1.00 0.00 O ATOM 0 H GLU A 105 9.873 -1.767 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 105 12.467 -0.543 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.910 -2.426 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.964 -1.303 -13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.208 -1.438 -14.601 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.019 0.153 -13.890 1.00 0.00 H new ATOM 1653 N ASP A 106 10.046 1.297 -12.204 1.00 0.00 N ATOM 1654 CA ASP A 106 9.706 2.689 -12.613 1.00 0.00 C ATOM 1655 C ASP A 106 10.175 3.664 -11.532 1.00 0.00 C ATOM 1656 O ASP A 106 10.759 4.691 -11.820 1.00 0.00 O ATOM 1657 CB ASP A 106 8.191 2.816 -12.788 1.00 0.00 C ATOM 1658 CG ASP A 106 7.838 2.727 -14.274 1.00 0.00 C ATOM 1659 OD1 ASP A 106 8.636 3.177 -15.080 1.00 0.00 O ATOM 1660 OD2 ASP A 106 6.775 2.212 -14.581 1.00 0.00 O ATOM 0 H ASP A 106 9.247 0.697 -11.998 1.00 0.00 H new ATOM 0 HA ASP A 106 10.201 2.921 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.683 2.026 -12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.845 3.765 -12.378 1.00 0.00 H new ATOM 1665 N ALA A 107 9.927 3.351 -10.290 1.00 0.00 N ATOM 1666 CA ALA A 107 10.361 4.261 -9.193 1.00 0.00 C ATOM 1667 C ALA A 107 11.888 4.268 -9.115 1.00 0.00 C ATOM 1668 O ALA A 107 12.488 5.162 -8.552 1.00 0.00 O ATOM 1669 CB ALA A 107 9.784 3.771 -7.863 1.00 0.00 C ATOM 0 H ALA A 107 9.443 2.505 -9.988 1.00 0.00 H new ATOM 0 HA ALA A 107 10.001 5.270 -9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.102 4.437 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.695 3.764 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.143 2.762 -7.660 1.00 0.00 H new ATOM 1675 N LEU A 108 12.523 3.276 -9.678 1.00 0.00 N ATOM 1676 CA LEU A 108 14.010 3.223 -9.641 1.00 0.00 C ATOM 1677 C LEU A 108 14.569 3.699 -10.984 1.00 0.00 C ATOM 1678 O LEU A 108 15.722 3.481 -11.298 1.00 0.00 O ATOM 1679 CB LEU A 108 14.463 1.784 -9.385 1.00 0.00 C ATOM 1680 CG LEU A 108 14.495 1.514 -7.879 1.00 0.00 C ATOM 1681 CD1 LEU A 108 13.506 0.397 -7.540 1.00 0.00 C ATOM 1682 CD2 LEU A 108 15.906 1.087 -7.470 1.00 0.00 C ATOM 0 H LEU A 108 12.074 2.499 -10.163 1.00 0.00 H new ATOM 0 HA LEU A 108 14.377 3.868 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.784 1.086 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.452 1.622 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 108 14.218 2.420 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.528 0.204 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.501 0.700 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.783 -0.510 -8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.931 0.894 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.182 0.180 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.611 1.882 -7.712 1.00 0.00 H new