USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 35 GLN : amide:sc= 0.376 X(o=0.38,f=-0.0079) USER MOD Set 1.2: A 38 GLN : amide:sc= 0 K(o=0.38,f=-2!) USER MOD Set 2.1: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 34 CYS SG : rot 114:sc= 0.101 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 72:sc= 0.34 USER MOD Single : A 28 THR OG1 : rot 150:sc= 0.699 USER MOD Single : A 31 CYS SG : rot 170:sc= 0.292 USER MOD Single : A 33 HIS : no HE2:sc= 0.113 K(o=0.11,f=-7!) USER MOD Single : A 46 SER OG : rot 77:sc= 0.594 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.5!) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0.881 (180deg=0.876) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.65) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.817 (180deg=0.816) USER MOD Single : A 75 THR OG1 : rot -150:sc=-0.00941 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.056 -2.658 6.403 1.00 0.00 N ATOM 70 CA TYR A 5 8.364 -3.781 5.748 1.00 0.00 C ATOM 71 C TYR A 5 8.269 -5.070 6.580 1.00 0.00 C ATOM 72 O TYR A 5 9.010 -5.267 7.544 1.00 0.00 O ATOM 73 CB TYR A 5 9.065 -4.061 4.414 1.00 0.00 C ATOM 74 CG TYR A 5 8.813 -2.988 3.385 1.00 0.00 C ATOM 75 CD1 TYR A 5 7.664 -3.082 2.586 1.00 0.00 C ATOM 76 CD2 TYR A 5 9.632 -1.853 3.310 1.00 0.00 C ATOM 77 CE1 TYR A 5 7.288 -2.012 1.755 1.00 0.00 C ATOM 78 CE2 TYR A 5 9.312 -0.810 2.425 1.00 0.00 C ATOM 79 CZ TYR A 5 8.135 -0.883 1.647 1.00 0.00 C ATOM 80 OH TYR A 5 7.829 0.155 0.820 1.00 0.00 O ATOM 0 HA TYR A 5 7.328 -3.471 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.138 -4.150 4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.724 -5.020 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.065 -3.981 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.511 -1.780 3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.360 -2.051 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.965 0.046 2.340 1.00 0.00 H new ATOM 0 HH TYR A 5 8.528 0.839 0.881 1.00 0.00 H new ATOM 89 N SER A 6 7.361 -5.969 6.173 1.00 0.00 N ATOM 90 CA SER A 6 7.259 -7.335 6.694 1.00 0.00 C ATOM 91 C SER A 6 7.241 -8.386 5.568 1.00 0.00 C ATOM 92 O SER A 6 6.508 -8.253 4.584 1.00 0.00 O ATOM 93 CB SER A 6 5.984 -7.500 7.538 1.00 0.00 C ATOM 94 OG SER A 6 5.966 -6.634 8.669 1.00 0.00 O ATOM 0 H SER A 6 6.664 -5.760 5.458 1.00 0.00 H new ATOM 0 HA SER A 6 8.143 -7.498 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.111 -7.299 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.905 -8.534 7.874 1.00 0.00 H new ATOM 0 HG SER A 6 5.138 -6.772 9.174 1.00 0.00 H new ATOM 99 N ALA A 7 8.019 -9.463 5.710 1.00 0.00 N ATOM 100 CA ALA A 7 8.011 -10.613 4.797 1.00 0.00 C ATOM 101 C ALA A 7 6.879 -11.610 5.112 1.00 0.00 C ATOM 102 O ALA A 7 6.447 -12.366 4.244 1.00 0.00 O ATOM 103 CB ALA A 7 9.386 -11.286 4.894 1.00 0.00 C ATOM 0 H ALA A 7 8.685 -9.563 6.476 1.00 0.00 H new ATOM 0 HA ALA A 7 7.820 -10.267 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.417 -12.148 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.160 -10.575 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.559 -11.614 5.919 1.00 0.00 H new ATOM 109 N GLU A 8 6.388 -11.584 6.353 1.00 0.00 N ATOM 110 CA GLU A 8 5.423 -12.507 6.967 1.00 0.00 C ATOM 111 C GLU A 8 3.959 -12.239 6.548 1.00 0.00 C ATOM 112 O GLU A 8 3.023 -12.455 7.322 1.00 0.00 O ATOM 113 CB GLU A 8 5.575 -12.475 8.503 1.00 0.00 C ATOM 114 CG GLU A 8 7.029 -12.589 8.999 1.00 0.00 C ATOM 115 CD GLU A 8 7.641 -11.217 9.329 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.928 -10.441 8.387 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.832 -10.911 10.532 1.00 0.00 O ATOM 0 H GLU A 8 6.677 -10.859 7.010 1.00 0.00 H new ATOM 0 HA GLU A 8 5.656 -13.505 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.147 -11.546 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.992 -13.291 8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.060 -13.221 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.633 -13.080 8.237 1.00 0.00 H new ATOM 122 N ALA A 9 3.758 -11.734 5.327 1.00 0.00 N ATOM 123 CA ALA A 9 2.447 -11.408 4.760 1.00 0.00 C ATOM 124 C ALA A 9 1.542 -12.654 4.600 1.00 0.00 C ATOM 125 O ALA A 9 2.051 -13.780 4.508 1.00 0.00 O ATOM 126 CB ALA A 9 2.665 -10.710 3.412 1.00 0.00 C ATOM 0 H ALA A 9 4.527 -11.535 4.687 1.00 0.00 H new ATOM 0 HA ALA A 9 1.923 -10.746 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.700 -10.458 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.243 -9.799 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.207 -11.376 2.741 1.00 0.00 H new ATOM 132 N PRO A 10 0.209 -12.472 4.506 1.00 0.00 N ATOM 133 CA PRO A 10 -0.732 -13.537 4.168 1.00 0.00 C ATOM 134 C PRO A 10 -0.644 -13.921 2.681 1.00 0.00 C ATOM 135 O PRO A 10 -0.041 -13.216 1.871 1.00 0.00 O ATOM 136 CB PRO A 10 -2.115 -12.950 4.491 1.00 0.00 C ATOM 137 CG PRO A 10 -1.915 -11.468 4.187 1.00 0.00 C ATOM 138 CD PRO A 10 -0.503 -11.220 4.702 1.00 0.00 C ATOM 0 HA PRO A 10 -0.521 -14.450 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.898 -13.390 3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.396 -13.118 5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.003 -11.256 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.650 -10.845 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.024 -10.407 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.514 -10.935 5.754 1.00 0.00 H new ATOM 143 N ALA A 11 -1.311 -15.018 2.313 1.00 0.00 N ATOM 144 CA ALA A 11 -1.648 -15.310 0.922 1.00 0.00 C ATOM 145 C ALA A 11 -2.838 -14.440 0.464 1.00 0.00 C ATOM 146 O ALA A 11 -3.720 -14.113 1.261 1.00 0.00 O ATOM 147 CB ALA A 11 -1.946 -16.808 0.802 1.00 0.00 C ATOM 0 H ALA A 11 -1.631 -15.727 2.973 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.813 -15.066 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.200 -17.047 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.067 -17.379 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.783 -17.066 1.451 1.00 0.00 H new ATOM 153 N ARG A 12 -2.912 -14.104 -0.826 1.00 0.00 N ATOM 154 CA ARG A 12 -3.916 -13.163 -1.373 1.00 0.00 C ATOM 155 C ARG A 12 -5.365 -13.693 -1.288 1.00 0.00 C ATOM 156 O ARG A 12 -6.315 -12.911 -1.377 1.00 0.00 O ATOM 157 CB ARG A 12 -3.504 -12.760 -2.809 1.00 0.00 C ATOM 158 CG ARG A 12 -3.642 -11.252 -3.118 1.00 0.00 C ATOM 159 CD ARG A 12 -5.025 -10.780 -3.579 1.00 0.00 C ATOM 160 NE ARG A 12 -5.376 -11.380 -4.878 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.310 -12.295 -5.127 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.076 -12.805 -4.184 1.00 0.00 N ATOM 163 NH2 ARG A 12 -6.468 -12.719 -6.361 1.00 0.00 N ATOM 0 H ARG A 12 -2.277 -14.475 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.924 -12.271 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.468 -13.058 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.113 -13.320 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.370 -10.693 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.917 -10.992 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.774 -11.050 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.035 -9.693 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.839 -11.056 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.966 -12.500 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.779 -13.505 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.880 -12.347 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.178 -13.420 -6.572 1.00 0.00 H new ATOM 174 N ASP A 13 -5.560 -14.998 -1.067 1.00 0.00 N ATOM 175 CA ASP A 13 -6.868 -15.624 -0.792 1.00 0.00 C ATOM 176 C ASP A 13 -7.261 -15.586 0.703 1.00 0.00 C ATOM 177 O ASP A 13 -8.445 -15.677 1.025 1.00 0.00 O ATOM 178 CB ASP A 13 -6.834 -17.074 -1.294 1.00 0.00 C ATOM 179 CG ASP A 13 -6.648 -17.165 -2.813 1.00 0.00 C ATOM 180 OD1 ASP A 13 -7.600 -16.823 -3.554 1.00 0.00 O ATOM 181 OD2 ASP A 13 -5.562 -17.596 -3.262 1.00 0.00 O ATOM 0 H ASP A 13 -4.793 -15.671 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.628 -15.048 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.022 -17.607 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.761 -17.574 -1.014 1.00 0.00 H new ATOM 185 N GLU A 14 -6.294 -15.418 1.613 1.00 0.00 N ATOM 186 CA GLU A 14 -6.517 -15.215 3.052 1.00 0.00 C ATOM 187 C GLU A 14 -6.622 -13.719 3.405 1.00 0.00 C ATOM 188 O GLU A 14 -7.344 -13.338 4.326 1.00 0.00 O ATOM 189 CB GLU A 14 -5.376 -15.876 3.830 1.00 0.00 C ATOM 190 CG GLU A 14 -5.450 -17.411 3.780 1.00 0.00 C ATOM 191 CD GLU A 14 -6.693 -17.967 4.501 1.00 0.00 C ATOM 192 OE1 GLU A 14 -6.703 -17.993 5.757 1.00 0.00 O ATOM 193 OE2 GLU A 14 -7.661 -18.383 3.821 1.00 0.00 O ATOM 0 H GLU A 14 -5.305 -15.419 1.362 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.466 -15.674 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.421 -15.547 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.408 -15.546 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.461 -17.737 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.553 -17.830 4.235 1.00 0.00 H new ATOM 198 N LEU A 15 -5.962 -12.853 2.627 1.00 0.00 N ATOM 199 CA LEU A 15 -6.127 -11.400 2.612 1.00 0.00 C ATOM 200 C LEU A 15 -7.580 -11.008 2.298 1.00 0.00 C ATOM 201 O LEU A 15 -8.116 -10.089 2.910 1.00 0.00 O ATOM 202 CB LEU A 15 -5.160 -10.882 1.527 1.00 0.00 C ATOM 203 CG LEU A 15 -4.998 -9.358 1.491 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.956 -8.864 2.504 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.509 -8.955 0.103 1.00 0.00 C ATOM 0 H LEU A 15 -5.261 -13.167 1.956 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.904 -10.963 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.181 -11.335 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.513 -11.220 0.553 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.964 -8.917 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.875 -7.779 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.263 -9.149 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.989 -9.313 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.388 -7.873 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.552 -9.435 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.237 -9.269 -0.645 1.00 0.00 H new ATOM 216 N ASP A 16 -8.235 -11.738 1.395 1.00 0.00 N ATOM 217 CA ASP A 16 -9.632 -11.554 0.974 1.00 0.00 C ATOM 218 C ASP A 16 -10.634 -11.707 2.142 1.00 0.00 C ATOM 219 O ASP A 16 -11.767 -11.225 2.046 1.00 0.00 O ATOM 220 CB ASP A 16 -9.917 -12.585 -0.140 1.00 0.00 C ATOM 221 CG ASP A 16 -11.334 -12.489 -0.725 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.589 -11.580 -1.547 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.173 -13.366 -0.402 1.00 0.00 O ATOM 0 H ASP A 16 -7.786 -12.515 0.910 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.766 -10.536 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.192 -12.448 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.766 -13.588 0.259 1.00 0.00 H new ATOM 227 N ARG A 17 -10.213 -12.322 3.258 1.00 0.00 N ATOM 228 CA ARG A 17 -11.011 -12.472 4.477 1.00 0.00 C ATOM 229 C ARG A 17 -11.069 -11.178 5.302 1.00 0.00 C ATOM 230 O ARG A 17 -11.931 -11.079 6.185 1.00 0.00 O ATOM 231 CB ARG A 17 -10.449 -13.611 5.350 1.00 0.00 C ATOM 232 CG ARG A 17 -10.254 -14.957 4.631 1.00 0.00 C ATOM 233 CD ARG A 17 -11.544 -15.565 4.070 1.00 0.00 C ATOM 234 NE ARG A 17 -11.263 -16.875 3.457 1.00 0.00 N ATOM 235 CZ ARG A 17 -12.153 -17.732 2.980 1.00 0.00 C ATOM 236 NH1 ARG A 17 -13.447 -17.477 2.992 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.746 -18.882 2.481 1.00 0.00 N ATOM 0 H ARG A 17 -9.285 -12.738 3.336 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.026 -12.712 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.489 -13.294 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.120 -13.763 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.546 -14.820 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.805 -15.666 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.278 -15.678 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.979 -14.894 3.329 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.283 -17.150 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.790 -16.597 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.105 -18.160 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.751 -19.107 2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.426 -19.547 2.112 1.00 0.00 H new ATOM 248 N LEU A 18 -10.180 -10.197 5.062 1.00 0.00 N ATOM 249 CA LEU A 18 -10.228 -8.901 5.784 1.00 0.00 C ATOM 250 C LEU A 18 -11.452 -8.045 5.390 1.00 0.00 C ATOM 251 O LEU A 18 -12.122 -8.351 4.406 1.00 0.00 O ATOM 252 CB LEU A 18 -8.867 -8.163 5.723 1.00 0.00 C ATOM 253 CG LEU A 18 -8.500 -7.349 4.458 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.105 -5.933 4.423 1.00 0.00 C ATOM 255 CD2 LEU A 18 -6.967 -7.206 4.401 1.00 0.00 C ATOM 0 H LEU A 18 -9.424 -10.270 4.381 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.388 -9.114 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.826 -7.482 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.084 -8.907 5.872 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.910 -7.895 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.800 -5.430 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.192 -6.001 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.751 -5.365 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.688 -6.635 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.617 -6.687 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.511 -8.195 4.354 1.00 0.00 H new ATOM 266 N ALA A 19 -11.763 -6.992 6.156 1.00 0.00 N ATOM 267 CA ALA A 19 -12.937 -6.131 5.915 1.00 0.00 C ATOM 268 C ALA A 19 -12.687 -4.612 6.008 1.00 0.00 C ATOM 269 O ALA A 19 -13.461 -3.840 5.439 1.00 0.00 O ATOM 270 CB ALA A 19 -14.025 -6.563 6.911 1.00 0.00 C ATOM 0 H ALA A 19 -11.208 -6.709 6.964 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.235 -6.274 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.914 -5.950 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.276 -7.611 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.657 -6.436 7.929 1.00 0.00 H new ATOM 276 N GLY A 20 -11.630 -4.156 6.689 1.00 0.00 N ATOM 277 CA GLY A 20 -11.395 -2.731 6.958 1.00 0.00 C ATOM 278 C GLY A 20 -10.700 -1.988 5.809 1.00 0.00 C ATOM 279 O GLY A 20 -10.167 -2.636 4.901 1.00 0.00 O ATOM 0 H GLY A 20 -10.909 -4.768 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.350 -2.248 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.788 -2.636 7.859 1.00 0.00 H new ATOM 283 N PRO A 21 -10.676 -0.640 5.839 1.00 0.00 N ATOM 284 CA PRO A 21 -9.927 0.170 4.887 1.00 0.00 C ATOM 285 C PRO A 21 -8.432 -0.082 5.088 1.00 0.00 C ATOM 286 O PRO A 21 -7.835 0.368 6.068 1.00 0.00 O ATOM 287 CB PRO A 21 -10.340 1.622 5.150 1.00 0.00 C ATOM 288 CG PRO A 21 -10.750 1.620 6.624 1.00 0.00 C ATOM 289 CD PRO A 21 -11.318 0.218 6.826 1.00 0.00 C ATOM 0 HA PRO A 21 -10.138 -0.077 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.517 2.312 4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.164 1.927 4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.899 1.808 7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.492 2.390 6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.119 -0.138 7.837 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.400 0.216 6.695 1.00 0.00 H new ATOM 294 N THR A 22 -7.843 -0.845 4.161 1.00 0.00 N ATOM 295 CA THR A 22 -6.479 -1.372 4.267 1.00 0.00 C ATOM 296 C THR A 22 -5.737 -1.092 2.978 1.00 0.00 C ATOM 297 O THR A 22 -6.053 -1.653 1.930 1.00 0.00 O ATOM 298 CB THR A 22 -6.488 -2.883 4.552 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.258 -3.119 5.712 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.075 -3.411 4.814 1.00 0.00 C ATOM 0 H THR A 22 -8.312 -1.119 3.298 1.00 0.00 H new ATOM 0 HA THR A 22 -5.977 -0.878 5.099 1.00 0.00 H new ATOM 0 HB THR A 22 -6.902 -3.391 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.206 -2.976 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.118 -4.482 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.450 -3.228 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.650 -2.899 5.677 1.00 0.00 H new ATOM 308 N LEU A 23 -4.718 -0.245 3.051 1.00 0.00 N ATOM 309 CA LEU A 23 -3.772 -0.074 1.961 1.00 0.00 C ATOM 310 C LEU A 23 -2.738 -1.198 2.024 1.00 0.00 C ATOM 311 O LEU A 23 -2.155 -1.443 3.080 1.00 0.00 O ATOM 312 CB LEU A 23 -3.150 1.333 2.051 1.00 0.00 C ATOM 313 CG LEU A 23 -2.252 1.694 0.853 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.980 1.465 -0.473 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.763 3.126 0.953 1.00 0.00 C ATOM 0 H LEU A 23 -4.526 0.339 3.865 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.262 -0.143 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.950 2.069 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.563 1.403 2.967 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.385 1.034 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.321 1.729 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.264 0.416 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.874 2.087 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.131 3.355 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.618 3.802 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.188 3.251 1.871 1.00 0.00 H new ATOM 326 N VAL A 24 -2.514 -1.887 0.907 1.00 0.00 N ATOM 327 CA VAL A 24 -1.523 -2.962 0.784 1.00 0.00 C ATOM 328 C VAL A 24 -0.413 -2.522 -0.175 1.00 0.00 C ATOM 329 O VAL A 24 -0.671 -2.329 -1.359 1.00 0.00 O ATOM 330 CB VAL A 24 -2.174 -4.283 0.303 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.148 -5.431 0.281 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.363 -4.703 1.182 1.00 0.00 C ATOM 0 H VAL A 24 -3.026 -1.712 0.042 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.095 -3.155 1.768 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.538 -4.090 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.633 -6.346 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.333 -5.178 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.751 -5.584 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.784 -5.634 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.024 -4.849 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.125 -3.924 1.159 1.00 0.00 H new ATOM 342 N GLU A 25 0.796 -2.341 0.363 1.00 0.00 N ATOM 343 CA GLU A 25 1.976 -1.836 -0.338 1.00 0.00 C ATOM 344 C GLU A 25 3.018 -2.930 -0.570 1.00 0.00 C ATOM 345 O GLU A 25 3.365 -3.678 0.350 1.00 0.00 O ATOM 346 CB GLU A 25 2.592 -0.696 0.484 1.00 0.00 C ATOM 347 CG GLU A 25 3.848 -0.060 -0.135 1.00 0.00 C ATOM 348 CD GLU A 25 4.454 1.031 0.749 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.905 0.712 1.873 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.567 2.187 0.281 1.00 0.00 O ATOM 0 H GLU A 25 0.986 -2.552 1.343 1.00 0.00 H new ATOM 0 HA GLU A 25 1.662 -1.475 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.840 0.080 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.845 -1.076 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.594 -0.835 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.594 0.364 -1.106 1.00 0.00 H new ATOM 355 N PHE A 26 3.552 -2.970 -1.785 1.00 0.00 N ATOM 356 CA PHE A 26 4.618 -3.874 -2.204 1.00 0.00 C ATOM 357 C PHE A 26 5.929 -3.091 -2.383 1.00 0.00 C ATOM 358 O PHE A 26 5.948 -2.050 -3.044 1.00 0.00 O ATOM 359 CB PHE A 26 4.193 -4.575 -3.508 1.00 0.00 C ATOM 360 CG PHE A 26 2.716 -4.942 -3.555 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.200 -5.976 -2.746 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.844 -4.162 -4.327 1.00 0.00 C ATOM 363 CE1 PHE A 26 0.809 -6.198 -2.698 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.460 -4.385 -4.275 1.00 0.00 C ATOM 365 CZ PHE A 26 -0.060 -5.385 -3.443 1.00 0.00 C ATOM 0 H PHE A 26 3.243 -2.351 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 26 4.791 -4.634 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.423 -3.924 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.787 -5.480 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.868 -6.595 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.240 -3.386 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.411 -6.995 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.206 -3.785 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.128 -5.530 -3.375 1.00 0.00 H new ATOM 374 N GLY A 27 7.018 -3.578 -1.780 1.00 0.00 N ATOM 375 CA GLY A 27 8.328 -2.926 -1.815 1.00 0.00 C ATOM 376 C GLY A 27 9.359 -3.570 -0.892 1.00 0.00 C ATOM 377 O GLY A 27 9.145 -4.684 -0.411 1.00 0.00 O ATOM 0 H GLY A 27 7.013 -4.448 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.706 -2.945 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.210 -1.878 -1.538 1.00 0.00 H new ATOM 381 N THR A 28 10.465 -2.867 -0.637 1.00 0.00 N ATOM 382 CA THR A 28 11.505 -3.214 0.353 1.00 0.00 C ATOM 383 C THR A 28 12.078 -1.939 0.966 1.00 0.00 C ATOM 384 O THR A 28 11.850 -0.837 0.469 1.00 0.00 O ATOM 385 CB THR A 28 12.640 -4.061 -0.239 1.00 0.00 C ATOM 386 OG1 THR A 28 13.231 -3.374 -1.315 1.00 0.00 O ATOM 387 CG2 THR A 28 12.190 -5.461 -0.676 1.00 0.00 C ATOM 0 H THR A 28 10.676 -2.001 -1.133 1.00 0.00 H new ATOM 0 HA THR A 28 11.024 -3.821 1.120 1.00 0.00 H new ATOM 0 HB THR A 28 13.372 -4.213 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.176 -3.623 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.041 -6.006 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.793 -6.001 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.416 -5.373 -1.438 1.00 0.00 H new ATOM 395 N ASP A 29 12.845 -2.084 2.046 1.00 0.00 N ATOM 396 CA ASP A 29 13.458 -0.962 2.767 1.00 0.00 C ATOM 397 C ASP A 29 14.733 -0.437 2.081 1.00 0.00 C ATOM 398 O ASP A 29 15.335 0.528 2.553 1.00 0.00 O ATOM 399 CB ASP A 29 13.734 -1.389 4.223 1.00 0.00 C ATOM 400 CG ASP A 29 14.762 -2.528 4.321 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.405 -3.684 3.988 1.00 0.00 O ATOM 402 OD2 ASP A 29 15.912 -2.256 4.741 1.00 0.00 O ATOM 0 H ASP A 29 13.063 -2.994 2.452 1.00 0.00 H new ATOM 0 HA ASP A 29 12.756 -0.128 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.095 -0.529 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.800 -1.706 4.688 1.00 0.00 H new ATOM 406 N TRP A 30 15.150 -1.066 0.973 1.00 0.00 N ATOM 407 CA TRP A 30 16.452 -0.881 0.330 1.00 0.00 C ATOM 408 C TRP A 30 16.408 -0.491 -1.163 1.00 0.00 C ATOM 409 O TRP A 30 17.419 0.003 -1.668 1.00 0.00 O ATOM 410 CB TRP A 30 17.274 -2.157 0.572 1.00 0.00 C ATOM 411 CG TRP A 30 16.664 -3.478 0.209 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.178 -4.392 1.077 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.506 -4.070 -1.119 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.718 -5.500 0.392 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.873 -5.343 -0.973 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.838 -3.665 -2.429 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.531 -6.135 -2.077 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.509 -4.457 -3.540 1.00 0.00 C ATOM 419 CH2 TRP A 30 15.834 -5.681 -3.373 1.00 0.00 C ATOM 0 H TRP A 30 14.565 -1.743 0.484 1.00 0.00 H new ATOM 0 HA TRP A 30 16.925 -0.012 0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.208 -2.060 0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.532 -2.190 1.631 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.153 -4.274 2.150 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.316 -6.326 0.835 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.355 -2.729 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.039 -7.086 -1.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 16.776 -4.124 -4.532 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.551 -6.267 -4.235 1.00 0.00 H new ATOM 429 N CYS A 31 15.280 -0.651 -1.873 1.00 0.00 N ATOM 430 CA CYS A 31 15.174 -0.235 -3.276 1.00 0.00 C ATOM 431 C CYS A 31 15.047 1.299 -3.398 1.00 0.00 C ATOM 432 O CYS A 31 14.268 1.911 -2.669 1.00 0.00 O ATOM 433 CB CYS A 31 13.979 -0.943 -3.923 1.00 0.00 C ATOM 434 SG CYS A 31 13.803 -0.385 -5.650 1.00 0.00 S ATOM 0 H CYS A 31 14.428 -1.066 -1.495 1.00 0.00 H new ATOM 0 HA CYS A 31 16.085 -0.521 -3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.122 -2.023 -3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.068 -0.726 -3.365 1.00 0.00 H new ATOM 0 HG CYS A 31 12.933 -1.133 -6.261 1.00 0.00 H new ATOM 439 N GLY A 32 15.762 1.911 -4.352 1.00 0.00 N ATOM 440 CA GLY A 32 15.718 3.353 -4.639 1.00 0.00 C ATOM 441 C GLY A 32 14.347 3.849 -5.109 1.00 0.00 C ATOM 442 O GLY A 32 13.973 4.984 -4.814 1.00 0.00 O ATOM 0 H GLY A 32 16.404 1.404 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.004 3.901 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.459 3.584 -5.404 1.00 0.00 H new ATOM 446 N HIS A 33 13.574 2.996 -5.776 1.00 0.00 N ATOM 447 CA HIS A 33 12.200 3.284 -6.184 1.00 0.00 C ATOM 448 C HIS A 33 11.255 3.311 -4.959 1.00 0.00 C ATOM 449 O HIS A 33 10.321 4.118 -4.900 1.00 0.00 O ATOM 450 CB HIS A 33 11.776 2.231 -7.238 1.00 0.00 C ATOM 451 CG HIS A 33 11.224 2.747 -8.549 1.00 0.00 C ATOM 452 ND1 HIS A 33 10.705 1.965 -9.551 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.178 4.038 -9.003 1.00 0.00 C ATOM 454 CE1 HIS A 33 10.336 2.761 -10.570 1.00 0.00 C ATOM 455 NE2 HIS A 33 10.601 4.050 -10.281 1.00 0.00 N ATOM 0 H HIS A 33 13.890 2.067 -6.054 1.00 0.00 H new ATOM 0 HA HIS A 33 12.136 4.275 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.642 1.607 -7.459 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.024 1.585 -6.786 1.00 0.00 H new ATOM 0 HD1 HIS A 33 10.614 0.949 -9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.529 4.906 -8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.890 2.416 -11.491 1.00 0.00 H new ATOM 463 N CYS A 34 11.536 2.488 -3.942 1.00 0.00 N ATOM 464 CA CYS A 34 10.862 2.513 -2.642 1.00 0.00 C ATOM 465 C CYS A 34 11.258 3.709 -1.772 1.00 0.00 C ATOM 466 O CYS A 34 10.378 4.280 -1.131 1.00 0.00 O ATOM 467 CB CYS A 34 11.186 1.213 -1.912 1.00 0.00 C ATOM 468 SG CYS A 34 10.029 -0.049 -2.506 1.00 0.00 S ATOM 0 H CYS A 34 12.257 1.769 -4.004 1.00 0.00 H new ATOM 0 HA CYS A 34 9.792 2.614 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.215 0.911 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.090 1.344 -0.834 1.00 0.00 H new ATOM 0 HG CYS A 34 10.682 -0.964 -3.158 1.00 0.00 H new ATOM 473 N GLN A 35 12.520 4.146 -1.789 1.00 0.00 N ATOM 474 CA GLN A 35 12.990 5.252 -0.936 1.00 0.00 C ATOM 475 C GLN A 35 12.250 6.566 -1.224 1.00 0.00 C ATOM 476 O GLN A 35 12.194 7.451 -0.373 1.00 0.00 O ATOM 477 CB GLN A 35 14.486 5.544 -1.134 1.00 0.00 C ATOM 478 CG GLN A 35 15.457 4.392 -0.905 1.00 0.00 C ATOM 479 CD GLN A 35 15.283 3.627 0.398 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.450 4.151 1.493 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.990 2.352 0.315 1.00 0.00 N ATOM 0 H GLN A 35 13.244 3.749 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 35 12.794 4.916 0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.627 5.908 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.763 6.358 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.359 3.689 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.473 4.786 -0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.852 1.919 -0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.900 1.793 1.163 1.00 0.00 H new ATOM 488 N ALA A 36 11.704 6.690 -2.434 1.00 0.00 N ATOM 489 CA ALA A 36 10.904 7.817 -2.900 1.00 0.00 C ATOM 490 C ALA A 36 9.441 7.725 -2.424 1.00 0.00 C ATOM 491 O ALA A 36 8.832 8.740 -2.092 1.00 0.00 O ATOM 492 CB ALA A 36 11.003 7.835 -4.431 1.00 0.00 C ATOM 0 H ALA A 36 11.815 5.971 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 36 11.285 8.748 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.417 8.666 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.045 7.954 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.617 6.898 -4.832 1.00 0.00 H new ATOM 498 N ALA A 37 8.877 6.513 -2.365 1.00 0.00 N ATOM 499 CA ALA A 37 7.493 6.261 -1.954 1.00 0.00 C ATOM 500 C ALA A 37 7.321 6.108 -0.430 1.00 0.00 C ATOM 501 O ALA A 37 6.288 6.503 0.111 1.00 0.00 O ATOM 502 CB ALA A 37 6.987 5.027 -2.702 1.00 0.00 C ATOM 0 H ALA A 37 9.383 5.661 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 37 6.896 7.135 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.957 4.822 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.030 5.209 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.612 4.169 -2.454 1.00 0.00 H new ATOM 508 N GLN A 38 8.329 5.595 0.276 1.00 0.00 N ATOM 509 CA GLN A 38 8.294 5.386 1.730 1.00 0.00 C ATOM 510 C GLN A 38 7.980 6.666 2.536 1.00 0.00 C ATOM 511 O GLN A 38 7.018 6.631 3.311 1.00 0.00 O ATOM 512 CB GLN A 38 9.616 4.753 2.189 1.00 0.00 C ATOM 513 CG GLN A 38 9.682 3.237 1.952 1.00 0.00 C ATOM 514 CD GLN A 38 11.109 2.731 2.159 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.949 2.777 1.271 1.00 0.00 O ATOM 516 NE2 GLN A 38 11.468 2.263 3.334 1.00 0.00 N ATOM 0 H GLN A 38 9.210 5.307 -0.151 1.00 0.00 H new ATOM 0 HA GLN A 38 7.466 4.707 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.441 5.232 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.757 4.954 3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.004 2.725 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.350 3.005 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.788 2.213 4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.427 1.950 3.487 1.00 0.00 H new ATOM 523 N PRO A 39 8.702 7.796 2.372 1.00 0.00 N ATOM 524 CA PRO A 39 8.385 9.044 3.058 1.00 0.00 C ATOM 525 C PRO A 39 7.131 9.713 2.474 1.00 0.00 C ATOM 526 O PRO A 39 6.532 10.561 3.139 1.00 0.00 O ATOM 527 CB PRO A 39 9.619 9.936 2.900 1.00 0.00 C ATOM 528 CG PRO A 39 10.183 9.494 1.551 1.00 0.00 C ATOM 529 CD PRO A 39 9.884 7.993 1.542 1.00 0.00 C ATOM 0 HA PRO A 39 8.157 8.865 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.357 10.994 2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.335 9.783 3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.700 10.009 0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.251 9.695 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.707 7.640 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.730 7.428 1.933 1.00 0.00 H new ATOM 534 N LEU A 40 6.701 9.323 1.269 1.00 0.00 N ATOM 535 CA LEU A 40 5.483 9.833 0.639 1.00 0.00 C ATOM 536 C LEU A 40 4.268 9.354 1.427 1.00 0.00 C ATOM 537 O LEU A 40 3.484 10.175 1.904 1.00 0.00 O ATOM 538 CB LEU A 40 5.411 9.337 -0.823 1.00 0.00 C ATOM 539 CG LEU A 40 5.029 10.357 -1.903 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.847 11.237 -1.497 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.213 11.215 -2.351 1.00 0.00 C ATOM 0 H LEU A 40 7.196 8.637 0.699 1.00 0.00 H new ATOM 0 HA LEU A 40 5.495 10.923 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.384 8.920 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.692 8.519 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 40 4.713 9.760 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.623 11.939 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.975 10.611 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.099 11.790 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.884 11.918 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.607 11.766 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.993 10.573 -2.760 1.00 0.00 H new ATOM 552 N LEU A 41 4.151 8.030 1.595 1.00 0.00 N ATOM 553 CA LEU A 41 3.054 7.394 2.327 1.00 0.00 C ATOM 554 C LEU A 41 3.035 7.899 3.764 1.00 0.00 C ATOM 555 O LEU A 41 1.976 8.278 4.244 1.00 0.00 O ATOM 556 CB LEU A 41 3.144 5.851 2.283 1.00 0.00 C ATOM 557 CG LEU A 41 2.457 5.160 1.087 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.001 5.571 0.889 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.293 5.326 -0.185 1.00 0.00 C ATOM 0 H LEU A 41 4.826 7.364 1.220 1.00 0.00 H new ATOM 0 HA LEU A 41 2.119 7.667 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.197 5.570 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.710 5.457 3.202 1.00 0.00 H new ATOM 0 HG LEU A 41 2.409 4.097 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.588 5.043 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.427 5.318 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.947 6.646 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.792 4.832 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.408 6.387 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.275 4.878 -0.036 1.00 0.00 H new ATOM 570 N ALA A 42 4.200 8.008 4.406 1.00 0.00 N ATOM 571 CA ALA A 42 4.335 8.535 5.766 1.00 0.00 C ATOM 572 C ALA A 42 3.777 9.968 5.923 1.00 0.00 C ATOM 573 O ALA A 42 3.154 10.277 6.945 1.00 0.00 O ATOM 574 CB ALA A 42 5.814 8.448 6.151 1.00 0.00 C ATOM 0 H ALA A 42 5.089 7.729 3.990 1.00 0.00 H new ATOM 0 HA ALA A 42 3.730 7.933 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.950 8.834 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.139 7.408 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.407 9.040 5.454 1.00 0.00 H new ATOM 580 N GLU A 43 3.933 10.821 4.907 1.00 0.00 N ATOM 581 CA GLU A 43 3.369 12.177 4.890 1.00 0.00 C ATOM 582 C GLU A 43 1.841 12.169 4.717 1.00 0.00 C ATOM 583 O GLU A 43 1.144 12.803 5.508 1.00 0.00 O ATOM 584 CB GLU A 43 4.025 13.029 3.796 1.00 0.00 C ATOM 585 CG GLU A 43 5.452 13.459 4.157 1.00 0.00 C ATOM 586 CD GLU A 43 5.468 14.647 5.135 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.269 15.804 4.689 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.683 14.446 6.356 1.00 0.00 O ATOM 0 H GLU A 43 4.459 10.589 4.064 1.00 0.00 H new ATOM 0 HA GLU A 43 3.586 12.622 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.045 12.464 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.417 13.916 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.983 12.617 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.989 13.731 3.248 1.00 0.00 H new ATOM 593 N VAL A 44 1.302 11.440 3.728 1.00 0.00 N ATOM 594 CA VAL A 44 -0.160 11.368 3.514 1.00 0.00 C ATOM 595 C VAL A 44 -0.901 10.694 4.684 1.00 0.00 C ATOM 596 O VAL A 44 -1.857 11.264 5.206 1.00 0.00 O ATOM 597 CB VAL A 44 -0.535 10.757 2.141 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.137 9.439 1.800 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.038 10.527 1.995 1.00 0.00 C ATOM 0 H VAL A 44 1.850 10.893 3.064 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.509 12.400 3.490 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.170 11.518 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.197 9.103 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.218 9.574 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.127 8.692 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.247 10.098 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.378 9.842 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.563 11.477 2.094 1.00 0.00 H new ATOM 609 N PHE A 45 -0.433 9.526 5.136 1.00 0.00 N ATOM 610 CA PHE A 45 -1.047 8.736 6.225 1.00 0.00 C ATOM 611 C PHE A 45 -1.194 9.510 7.546 1.00 0.00 C ATOM 612 O PHE A 45 -2.068 9.178 8.345 1.00 0.00 O ATOM 613 CB PHE A 45 -0.216 7.469 6.509 1.00 0.00 C ATOM 614 CG PHE A 45 -0.762 6.177 5.929 1.00 0.00 C ATOM 615 CD1 PHE A 45 -1.922 5.621 6.500 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.087 5.481 4.903 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.377 4.368 6.056 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.553 4.230 4.477 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.708 3.676 5.041 1.00 0.00 C ATOM 0 H PHE A 45 0.403 9.087 4.750 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.046 8.485 5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.791 7.623 6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.126 7.351 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.458 6.153 7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.790 5.914 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.257 3.932 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.018 3.690 3.709 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.079 2.723 4.696 1.00 0.00 H new ATOM 628 N SER A 46 -0.368 10.528 7.783 1.00 0.00 N ATOM 629 CA SER A 46 -0.451 11.368 8.984 1.00 0.00 C ATOM 630 C SER A 46 -1.779 12.143 9.097 1.00 0.00 C ATOM 631 O SER A 46 -2.147 12.553 10.198 1.00 0.00 O ATOM 632 CB SER A 46 0.740 12.344 9.038 1.00 0.00 C ATOM 633 OG SER A 46 1.967 11.660 9.251 1.00 0.00 O ATOM 0 H SER A 46 0.382 10.797 7.146 1.00 0.00 H new ATOM 0 HA SER A 46 -0.413 10.690 9.837 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.793 12.906 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.582 13.068 9.838 1.00 0.00 H new ATOM 0 HG SER A 46 2.258 11.241 8.414 1.00 0.00 H new ATOM 638 N ASP A 47 -2.531 12.310 7.997 1.00 0.00 N ATOM 639 CA ASP A 47 -3.877 12.899 7.988 1.00 0.00 C ATOM 640 C ASP A 47 -5.013 11.843 7.926 1.00 0.00 C ATOM 641 O ASP A 47 -6.184 12.192 8.069 1.00 0.00 O ATOM 642 CB ASP A 47 -3.968 13.881 6.811 1.00 0.00 C ATOM 643 CG ASP A 47 -5.102 14.909 6.983 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.089 15.655 7.992 1.00 0.00 O ATOM 645 OD2 ASP A 47 -5.974 15.016 6.089 1.00 0.00 O ATOM 0 H ASP A 47 -2.211 12.032 7.069 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.025 13.421 8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.019 14.407 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.126 13.323 5.888 1.00 0.00 H new ATOM 649 N TYR A 48 -4.675 10.557 7.735 1.00 0.00 N ATOM 650 CA TYR A 48 -5.626 9.438 7.609 1.00 0.00 C ATOM 651 C TYR A 48 -5.322 8.231 8.539 1.00 0.00 C ATOM 652 O TYR A 48 -5.235 7.087 8.060 1.00 0.00 O ATOM 653 CB TYR A 48 -5.717 9.023 6.128 1.00 0.00 C ATOM 654 CG TYR A 48 -5.986 10.172 5.182 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.277 10.732 5.102 1.00 0.00 C ATOM 656 CD2 TYR A 48 -4.933 10.723 4.430 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.515 11.843 4.260 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.145 11.872 3.646 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.438 12.431 3.551 1.00 0.00 C ATOM 660 OH TYR A 48 -6.619 13.551 2.796 1.00 0.00 O ATOM 0 H TYR A 48 -3.703 10.257 7.662 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.597 9.794 7.953 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.784 8.539 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.508 8.282 6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.084 10.313 5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.957 10.262 4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.513 12.242 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.320 12.326 3.118 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.768 13.810 2.385 1.00 0.00 H new ATOM 669 N PRO A 49 -5.154 8.439 9.866 1.00 0.00 N ATOM 670 CA PRO A 49 -4.729 7.398 10.801 1.00 0.00 C ATOM 671 C PRO A 49 -5.723 6.231 10.937 1.00 0.00 C ATOM 672 O PRO A 49 -5.336 5.169 11.427 1.00 0.00 O ATOM 673 CB PRO A 49 -4.512 8.110 12.140 1.00 0.00 C ATOM 674 CG PRO A 49 -5.453 9.314 12.060 1.00 0.00 C ATOM 675 CD PRO A 49 -5.376 9.687 10.579 1.00 0.00 C ATOM 0 HA PRO A 49 -3.821 6.920 10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.758 7.464 12.983 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.474 8.419 12.267 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.468 9.058 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.125 10.131 12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.297 10.167 10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.565 10.392 10.395 1.00 0.00 H new ATOM 680 N GLU A 50 -6.977 6.382 10.485 1.00 0.00 N ATOM 681 CA GLU A 50 -7.972 5.302 10.463 1.00 0.00 C ATOM 682 C GLU A 50 -7.745 4.261 9.341 1.00 0.00 C ATOM 683 O GLU A 50 -8.332 3.178 9.391 1.00 0.00 O ATOM 684 CB GLU A 50 -9.397 5.870 10.436 1.00 0.00 C ATOM 685 CG GLU A 50 -9.793 6.613 9.158 1.00 0.00 C ATOM 686 CD GLU A 50 -9.477 8.111 9.245 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.281 8.467 9.177 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.418 8.927 9.395 1.00 0.00 O ATOM 0 H GLU A 50 -7.331 7.267 10.121 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.838 4.749 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.098 5.049 10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.513 6.550 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.266 6.180 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.859 6.477 8.975 1.00 0.00 H new ATOM 693 N VAL A 51 -6.895 4.558 8.349 1.00 0.00 N ATOM 694 CA VAL A 51 -6.473 3.598 7.312 1.00 0.00 C ATOM 695 C VAL A 51 -5.322 2.744 7.870 1.00 0.00 C ATOM 696 O VAL A 51 -4.437 3.269 8.550 1.00 0.00 O ATOM 697 CB VAL A 51 -6.067 4.315 5.995 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.702 3.318 4.879 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.212 5.196 5.466 1.00 0.00 C ATOM 0 H VAL A 51 -6.475 5.481 8.240 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.313 2.951 7.059 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.197 4.922 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.425 3.866 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.863 2.702 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.560 2.680 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.899 5.685 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.087 4.576 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.463 5.952 6.210 1.00 0.00 H new ATOM 709 N GLY A 52 -5.322 1.438 7.579 1.00 0.00 N ATOM 710 CA GLY A 52 -4.224 0.513 7.903 1.00 0.00 C ATOM 711 C GLY A 52 -3.235 0.361 6.745 1.00 0.00 C ATOM 712 O GLY A 52 -3.632 0.487 5.590 1.00 0.00 O ATOM 0 H GLY A 52 -6.100 0.983 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.695 0.874 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.637 -0.463 8.157 1.00 0.00 H new ATOM 716 N HIS A 53 -1.964 0.055 7.018 1.00 0.00 N ATOM 717 CA HIS A 53 -0.947 -0.190 5.979 1.00 0.00 C ATOM 718 C HIS A 53 -0.272 -1.563 6.142 1.00 0.00 C ATOM 719 O HIS A 53 0.473 -1.781 7.106 1.00 0.00 O ATOM 720 CB HIS A 53 0.112 0.933 6.009 1.00 0.00 C ATOM 721 CG HIS A 53 0.810 1.176 4.682 1.00 0.00 C ATOM 722 ND1 HIS A 53 2.006 1.839 4.496 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.318 0.912 3.428 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.219 1.955 3.172 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.195 1.433 2.488 1.00 0.00 N ATOM 0 H HIS A 53 -1.605 -0.031 7.969 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.453 -0.191 5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.367 1.859 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.863 0.687 6.760 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.622 2.182 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.600 0.386 3.210 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.093 2.406 2.725 1.00 0.00 H new ATOM 733 N LEU A 54 -0.474 -2.473 5.183 1.00 0.00 N ATOM 734 CA LEU A 54 0.273 -3.728 5.075 1.00 0.00 C ATOM 735 C LEU A 54 1.479 -3.517 4.159 1.00 0.00 C ATOM 736 O LEU A 54 1.329 -3.396 2.945 1.00 0.00 O ATOM 737 CB LEU A 54 -0.671 -4.841 4.575 1.00 0.00 C ATOM 738 CG LEU A 54 -0.002 -6.213 4.332 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.733 -6.752 5.564 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.057 -7.236 3.892 1.00 0.00 C ATOM 0 H LEU A 54 -1.172 -2.355 4.449 1.00 0.00 H new ATOM 0 HA LEU A 54 0.654 -4.041 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.472 -4.970 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.135 -4.511 3.645 1.00 0.00 H new ATOM 0 HG LEU A 54 0.742 -6.061 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.180 -7.717 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.515 -6.051 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.027 -6.871 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.579 -8.201 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.813 -7.337 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.529 -6.898 2.970 1.00 0.00 H new ATOM 751 N LYS A 55 2.679 -3.488 4.735 1.00 0.00 N ATOM 752 CA LYS A 55 3.928 -3.363 3.982 1.00 0.00 C ATOM 753 C LYS A 55 4.481 -4.757 3.663 1.00 0.00 C ATOM 754 O LYS A 55 5.058 -5.405 4.537 1.00 0.00 O ATOM 755 CB LYS A 55 4.989 -2.594 4.782 1.00 0.00 C ATOM 756 CG LYS A 55 4.758 -1.106 4.999 1.00 0.00 C ATOM 757 CD LYS A 55 3.733 -0.778 6.081 1.00 0.00 C ATOM 758 CE LYS A 55 3.955 -1.571 7.380 1.00 0.00 C ATOM 759 NZ LYS A 55 2.985 -1.208 8.440 1.00 0.00 N ATOM 0 H LYS A 55 2.814 -3.551 5.744 1.00 0.00 H new ATOM 0 HA LYS A 55 3.708 -2.816 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.082 -3.067 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.947 -2.716 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.707 -0.638 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.431 -0.661 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.775 0.289 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.733 -0.986 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.875 -2.637 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.967 -1.393 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.145 -1.805 9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.112 -0.209 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.017 -1.355 8.090 1.00 0.00 H new ATOM 769 N VAL A 56 4.353 -5.199 2.421 1.00 0.00 N ATOM 770 CA VAL A 56 4.865 -6.495 1.964 1.00 0.00 C ATOM 771 C VAL A 56 6.282 -6.327 1.443 1.00 0.00 C ATOM 772 O VAL A 56 6.518 -5.552 0.519 1.00 0.00 O ATOM 773 CB VAL A 56 3.964 -7.120 0.880 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.466 -8.509 0.456 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.514 -7.230 1.362 1.00 0.00 C ATOM 0 H VAL A 56 3.886 -4.665 1.688 1.00 0.00 H new ATOM 0 HA VAL A 56 4.866 -7.177 2.814 1.00 0.00 H new ATOM 0 HB VAL A 56 4.005 -6.456 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.805 -8.917 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.476 -8.424 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.473 -9.173 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.902 -7.674 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.473 -7.857 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.133 -6.237 1.600 1.00 0.00 H new ATOM 785 N GLU A 57 7.198 -7.077 2.057 1.00 0.00 N ATOM 786 CA GLU A 57 8.599 -7.201 1.671 1.00 0.00 C ATOM 787 C GLU A 57 8.706 -8.060 0.394 1.00 0.00 C ATOM 788 O GLU A 57 9.091 -9.227 0.417 1.00 0.00 O ATOM 789 CB GLU A 57 9.393 -7.727 2.879 1.00 0.00 C ATOM 790 CG GLU A 57 10.824 -7.204 2.861 1.00 0.00 C ATOM 791 CD GLU A 57 11.597 -7.642 4.118 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.218 -7.230 5.238 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.596 -8.391 4.000 1.00 0.00 O ATOM 0 H GLU A 57 6.969 -7.640 2.876 1.00 0.00 H new ATOM 0 HA GLU A 57 9.042 -6.240 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.902 -7.421 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.400 -8.817 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.336 -7.570 1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.815 -6.116 2.798 1.00 0.00 H new ATOM 894 N GLY A 65 2.388 -8.634 -4.687 1.00 0.00 N ATOM 895 CA GLY A 65 2.168 -7.829 -5.905 1.00 0.00 C ATOM 896 C GLY A 65 1.993 -8.667 -7.181 1.00 0.00 C ATOM 897 O GLY A 65 1.299 -8.253 -8.113 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.282 -7.210 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.012 -7.152 -6.039 1.00 0.00 H new ATOM 901 N ARG A 66 2.536 -9.891 -7.165 1.00 0.00 N ATOM 902 CA ARG A 66 2.264 -10.983 -8.112 1.00 0.00 C ATOM 903 C ARG A 66 0.756 -11.251 -8.238 1.00 0.00 C ATOM 904 O ARG A 66 0.192 -11.157 -9.321 1.00 0.00 O ATOM 905 CB ARG A 66 3.025 -12.227 -7.612 1.00 0.00 C ATOM 906 CG ARG A 66 2.704 -13.539 -8.352 1.00 0.00 C ATOM 907 CD ARG A 66 3.489 -14.733 -7.784 1.00 0.00 C ATOM 908 NE ARG A 66 3.189 -14.949 -6.349 1.00 0.00 N ATOM 909 CZ ARG A 66 4.045 -15.304 -5.399 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.278 -15.675 -5.666 1.00 0.00 N ATOM 911 NH2 ARG A 66 3.671 -15.286 -4.141 1.00 0.00 N ATOM 0 H ARG A 66 3.214 -10.162 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 66 2.605 -10.714 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.095 -12.035 -7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.807 -12.364 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.635 -13.742 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.937 -13.424 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.242 -15.633 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.558 -14.560 -7.911 1.00 0.00 H new ATOM 0 HE ARG A 66 2.221 -14.810 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.606 -15.697 -6.631 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.906 -15.941 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.724 -14.999 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.328 -15.559 -3.410 1.00 0.00 H new ATOM 922 N SER A 67 0.083 -11.528 -7.124 1.00 0.00 N ATOM 923 CA SER A 67 -1.329 -11.941 -7.051 1.00 0.00 C ATOM 924 C SER A 67 -2.313 -10.755 -7.025 1.00 0.00 C ATOM 925 O SER A 67 -3.532 -10.936 -7.096 1.00 0.00 O ATOM 926 CB SER A 67 -1.507 -12.831 -5.810 1.00 0.00 C ATOM 927 OG SER A 67 -0.577 -13.910 -5.816 1.00 0.00 O ATOM 0 H SER A 67 0.520 -11.470 -6.204 1.00 0.00 H new ATOM 0 HA SER A 67 -1.569 -12.494 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.371 -12.234 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.524 -13.223 -5.782 1.00 0.00 H new ATOM 0 HG SER A 67 -0.709 -14.460 -5.016 1.00 0.00 H new ATOM 932 N PHE A 68 -1.781 -9.528 -6.965 1.00 0.00 N ATOM 933 CA PHE A 68 -2.453 -8.282 -7.337 1.00 0.00 C ATOM 934 C PHE A 68 -2.209 -7.877 -8.795 1.00 0.00 C ATOM 935 O PHE A 68 -2.805 -6.894 -9.248 1.00 0.00 O ATOM 936 CB PHE A 68 -1.973 -7.171 -6.394 1.00 0.00 C ATOM 937 CG PHE A 68 -2.714 -7.152 -5.082 1.00 0.00 C ATOM 938 CD1 PHE A 68 -3.924 -6.443 -4.998 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.209 -7.824 -3.959 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.612 -6.378 -3.780 1.00 0.00 C ATOM 941 CE2 PHE A 68 -2.890 -7.766 -2.731 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.093 -7.029 -2.650 1.00 0.00 C ATOM 0 H PHE A 68 -0.827 -9.372 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.527 -8.440 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.908 -7.300 -6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.093 -6.206 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.323 -5.949 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.292 -8.389 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.539 -5.829 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.500 -8.277 -1.863 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.619 -6.966 -1.709 1.00 0.00 H new ATOM 951 N GLN A 69 -1.366 -8.604 -9.545 1.00 0.00 N ATOM 952 CA GLN A 69 -1.049 -8.349 -10.955 1.00 0.00 C ATOM 953 C GLN A 69 -0.526 -6.908 -11.150 1.00 0.00 C ATOM 954 O GLN A 69 -0.988 -6.180 -12.030 1.00 0.00 O ATOM 955 CB GLN A 69 -2.243 -8.745 -11.853 1.00 0.00 C ATOM 956 CG GLN A 69 -2.571 -10.254 -11.802 1.00 0.00 C ATOM 957 CD GLN A 69 -3.239 -10.780 -10.526 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.941 -11.868 -10.055 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.155 -10.069 -9.901 1.00 0.00 N ATOM 0 H GLN A 69 -0.870 -9.413 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.225 -8.986 -11.276 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.123 -8.178 -11.547 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.024 -8.462 -12.883 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.221 -10.488 -12.645 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.644 -10.807 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.429 -9.156 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.591 -10.431 -9.053 1.00 0.00 H new ATOM 966 N VAL A 70 0.395 -6.492 -10.269 1.00 0.00 N ATOM 967 CA VAL A 70 1.002 -5.149 -10.216 1.00 0.00 C ATOM 968 C VAL A 70 1.778 -4.815 -11.503 1.00 0.00 C ATOM 969 O VAL A 70 2.486 -5.656 -12.055 1.00 0.00 O ATOM 970 CB VAL A 70 1.886 -5.023 -8.952 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.870 -3.842 -8.980 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.986 -4.906 -7.715 1.00 0.00 C ATOM 0 H VAL A 70 0.755 -7.108 -9.540 1.00 0.00 H new ATOM 0 HA VAL A 70 0.202 -4.411 -10.150 1.00 0.00 H new ATOM 0 HB VAL A 70 2.498 -5.924 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.449 -3.829 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.544 -3.950 -9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.315 -2.908 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.605 -4.817 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.353 -4.023 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.360 -5.795 -7.635 1.00 0.00 H new ATOM 982 N LYS A 71 1.641 -3.564 -11.975 1.00 0.00 N ATOM 983 CA LYS A 71 2.147 -3.120 -13.288 1.00 0.00 C ATOM 984 C LYS A 71 3.623 -2.666 -13.262 1.00 0.00 C ATOM 985 O LYS A 71 4.402 -3.036 -14.140 1.00 0.00 O ATOM 986 CB LYS A 71 1.250 -1.986 -13.819 1.00 0.00 C ATOM 987 CG LYS A 71 -0.263 -2.254 -13.770 1.00 0.00 C ATOM 988 CD LYS A 71 -0.695 -3.604 -14.358 1.00 0.00 C ATOM 989 CE LYS A 71 -2.196 -3.778 -14.132 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.604 -5.201 -14.232 1.00 0.00 N ATOM 0 H LYS A 71 1.172 -2.825 -11.452 1.00 0.00 H new ATOM 0 HA LYS A 71 2.111 -3.983 -13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.459 -1.083 -13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.530 -1.779 -14.852 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.594 -2.202 -12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.777 -1.458 -14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.466 -3.643 -15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.145 -4.416 -13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.463 -3.391 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.745 -3.189 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.631 -5.278 -14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.356 -5.568 -15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.111 -5.756 -13.503 1.00 0.00 H new ATOM 1000 N LEU A 72 3.995 -1.869 -12.255 1.00 0.00 N ATOM 1001 CA LEU A 72 5.364 -1.426 -11.956 1.00 0.00 C ATOM 1002 C LEU A 72 5.942 -2.347 -10.859 1.00 0.00 C ATOM 1003 O LEU A 72 6.038 -3.553 -11.075 1.00 0.00 O ATOM 1004 CB LEU A 72 5.317 0.086 -11.610 1.00 0.00 C ATOM 1005 CG LEU A 72 6.679 0.814 -11.564 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.323 0.895 -12.955 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.477 2.226 -11.017 1.00 0.00 C ATOM 0 H LEU A 72 3.316 -1.496 -11.592 1.00 0.00 H new ATOM 0 HA LEU A 72 6.045 -1.515 -12.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.685 0.587 -12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.833 0.201 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 72 7.346 0.246 -10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.279 1.413 -12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.484 -0.112 -13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.664 1.441 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.436 2.744 -10.983 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.792 2.773 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.059 2.170 -10.012 1.00 0.00 H new ATOM 1018 N TRP A 73 6.268 -1.794 -9.687 1.00 0.00 N ATOM 1019 CA TRP A 73 6.577 -2.538 -8.461 1.00 0.00 C ATOM 1020 C TRP A 73 6.364 -1.723 -7.171 1.00 0.00 C ATOM 1021 O TRP A 73 5.650 -2.231 -6.303 1.00 0.00 O ATOM 1022 CB TRP A 73 7.992 -3.115 -8.515 1.00 0.00 C ATOM 1023 CG TRP A 73 8.315 -4.031 -7.381 1.00 0.00 C ATOM 1024 CD1 TRP A 73 7.775 -5.248 -7.160 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.229 -3.796 -6.273 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.292 -5.785 -5.997 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.227 -4.943 -5.425 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.046 -2.708 -5.903 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.067 -5.039 -4.302 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.858 -2.780 -4.765 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.898 -3.949 -3.987 1.00 0.00 C ATOM 0 H TRP A 73 6.326 -0.784 -9.561 1.00 0.00 H new ATOM 0 HA TRP A 73 5.860 -3.358 -8.419 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.118 -3.656 -9.453 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.709 -2.294 -8.522 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.048 -5.730 -7.797 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.019 -6.688 -5.610 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.045 -1.810 -6.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.074 -5.931 -3.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.459 -1.929 -4.482 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.570 -4.011 -3.144 1.00 0.00 H new ATOM 1041 N PRO A 74 6.900 -0.485 -7.015 1.00 0.00 N ATOM 1042 CA PRO A 74 6.509 0.383 -5.915 1.00 0.00 C ATOM 1043 C PRO A 74 5.073 0.855 -6.172 1.00 0.00 C ATOM 1044 O PRO A 74 4.815 1.758 -6.974 1.00 0.00 O ATOM 1045 CB PRO A 74 7.524 1.524 -5.872 1.00 0.00 C ATOM 1046 CG PRO A 74 7.914 1.663 -7.336 1.00 0.00 C ATOM 1047 CD PRO A 74 7.905 0.211 -7.819 1.00 0.00 C ATOM 0 HA PRO A 74 6.513 -0.113 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.088 2.442 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.381 1.283 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.205 2.279 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.895 2.124 -7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.660 0.156 -8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.887 -0.246 -7.694 1.00 0.00 H new ATOM 1052 N THR A 75 4.125 0.157 -5.549 1.00 0.00 N ATOM 1053 CA THR A 75 2.696 0.178 -5.871 1.00 0.00 C ATOM 1054 C THR A 75 1.940 -0.204 -4.615 1.00 0.00 C ATOM 1055 O THR A 75 2.408 -1.031 -3.832 1.00 0.00 O ATOM 1056 CB THR A 75 2.381 -0.821 -6.994 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.025 -0.390 -8.170 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.888 -0.936 -7.323 1.00 0.00 C ATOM 0 H THR A 75 4.340 -0.467 -4.771 1.00 0.00 H new ATOM 0 HA THR A 75 2.403 1.170 -6.215 1.00 0.00 H new ATOM 0 HB THR A 75 2.725 -1.794 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.506 -0.676 -8.951 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.747 -1.660 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.345 -1.265 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.510 0.036 -7.641 1.00 0.00 H new ATOM 1066 N PHE A 76 0.775 0.405 -4.421 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.047 0.181 -3.245 1.00 0.00 C ATOM 1068 C PHE A 76 -1.536 0.189 -3.617 1.00 0.00 C ATOM 1069 O PHE A 76 -2.043 1.123 -4.240 1.00 0.00 O ATOM 1070 CB PHE A 76 0.331 1.168 -2.130 1.00 0.00 C ATOM 1071 CG PHE A 76 0.808 2.521 -2.589 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.145 2.699 -2.991 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.092 3.599 -2.612 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.571 3.939 -3.489 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.356 4.844 -3.053 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.668 5.010 -3.521 1.00 0.00 C ATOM 0 H PHE A 76 0.375 1.071 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 76 0.149 -0.812 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.536 1.309 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.112 0.716 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.844 1.879 -2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.115 3.466 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.583 4.067 -3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.315 5.690 -3.034 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.984 5.968 -3.908 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.213 -0.898 -3.247 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.602 -1.213 -3.595 1.00 0.00 C ATOM 1087 C VAL A 77 -4.496 -0.949 -2.387 1.00 0.00 C ATOM 1088 O VAL A 77 -4.296 -1.543 -1.324 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.746 -2.669 -4.090 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.217 -2.984 -4.419 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.902 -2.914 -5.355 1.00 0.00 C ATOM 0 H VAL A 77 -1.787 -1.621 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.913 -0.569 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.394 -3.318 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.300 -4.014 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.826 -2.853 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.568 -2.309 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.024 -3.947 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.232 -2.243 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.852 -2.725 -5.134 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.462 -0.051 -2.553 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.428 0.305 -1.522 1.00 0.00 C ATOM 1103 C PHE A 78 -7.534 -0.754 -1.514 1.00 0.00 C ATOM 1104 O PHE A 78 -8.296 -0.879 -2.479 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.977 1.730 -1.752 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.955 2.858 -1.670 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.023 3.028 -2.712 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.882 3.698 -0.535 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.015 3.996 -2.615 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.892 4.702 -0.462 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.963 4.846 -1.507 1.00 0.00 C ATOM 0 H PHE A 78 -5.597 0.459 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.951 0.320 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.448 1.763 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.759 1.920 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.086 2.407 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.584 3.572 0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.277 4.086 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.849 5.358 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.207 5.616 -1.453 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.632 -1.521 -0.424 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.746 -2.424 -0.165 1.00 0.00 C ATOM 1122 C LEU A 79 -9.750 -1.784 0.793 1.00 0.00 C ATOM 1123 O LEU A 79 -9.417 -0.931 1.621 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.295 -3.752 0.466 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.288 -4.583 -0.335 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -7.062 -5.904 0.404 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.718 -4.922 -1.750 1.00 0.00 C ATOM 0 H LEU A 79 -6.926 -1.528 0.312 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.199 -2.622 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.859 -3.535 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.180 -4.364 0.641 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.392 -3.968 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.347 -6.513 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.671 -5.701 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.007 -6.440 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.940 -5.511 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.644 -5.497 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.880 -4.002 -2.311 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.966 -2.313 0.729 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.084 -2.091 1.661 1.00 0.00 C ATOM 1140 C ARG A 80 -13.113 -3.200 1.430 1.00 0.00 C ATOM 1141 O ARG A 80 -13.349 -3.582 0.283 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.668 -0.674 1.474 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.327 -0.128 2.751 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.573 1.384 2.635 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.126 1.932 3.884 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.007 3.181 4.328 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.336 4.116 3.688 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.584 3.525 5.461 1.00 0.00 N ATOM 0 H ARG A 80 -11.223 -2.953 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.750 -2.139 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.873 0.004 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.404 -0.692 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.272 -0.642 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.689 -0.332 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.637 1.890 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.261 1.581 1.813 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.656 1.287 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.874 3.898 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.278 5.058 4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.117 2.836 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.497 4.480 5.808 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.629 -3.814 2.498 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.413 -5.067 2.464 1.00 0.00 C ATOM 1161 C ASP A 81 -13.561 -6.277 1.996 1.00 0.00 C ATOM 1162 O ASP A 81 -14.094 -7.280 1.514 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.702 -4.891 1.635 1.00 0.00 C ATOM 1164 CG ASP A 81 -16.796 -5.915 1.984 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.084 -6.101 3.188 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.406 -6.491 1.047 1.00 0.00 O ATOM 0 H ASP A 81 -13.513 -3.447 3.443 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.718 -5.295 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.092 -3.885 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.459 -4.977 0.576 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.223 -6.161 2.080 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.259 -7.159 1.585 1.00 0.00 C ATOM 1172 C GLY A 82 -11.103 -7.174 0.062 1.00 0.00 C ATOM 1173 O GLY A 82 -10.589 -8.148 -0.492 1.00 0.00 O ATOM 0 H GLY A 82 -11.772 -5.351 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.287 -6.965 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.573 -8.148 1.917 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.555 -6.112 -0.619 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.672 -6.009 -2.074 1.00 0.00 C ATOM 1179 C ARG A 83 -11.083 -4.675 -2.538 1.00 0.00 C ATOM 1180 O ARG A 83 -11.255 -3.651 -1.872 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.164 -6.101 -2.447 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.359 -6.197 -3.959 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.838 -6.160 -4.358 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.024 -6.375 -5.807 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.765 -5.531 -6.801 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -14.216 -4.348 -6.605 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -15.048 -5.878 -8.036 1.00 0.00 N ATOM 0 H ARG A 83 -11.863 -5.263 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.125 -6.815 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.607 -6.973 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.690 -5.225 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.833 -5.374 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.910 -7.121 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.382 -6.925 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.266 -5.198 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.398 -7.284 -6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.972 -4.049 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.035 -3.732 -7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.464 -6.790 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.852 -5.236 -8.804 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.354 -4.682 -3.650 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.791 -3.470 -4.245 1.00 0.00 C ATOM 1200 C GLU A 84 -10.878 -2.432 -4.553 1.00 0.00 C ATOM 1201 O GLU A 84 -11.805 -2.684 -5.327 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.942 -3.834 -5.477 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.422 -2.611 -6.240 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.430 -2.944 -7.366 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.180 -4.139 -7.650 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.886 -2.007 -7.986 1.00 0.00 O ATOM 0 H GLU A 84 -10.135 -5.533 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.129 -2.996 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.095 -4.442 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.539 -4.448 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.270 -2.075 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.939 -1.935 -5.534 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.724 -1.248 -3.950 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.484 -0.023 -4.253 1.00 0.00 C ATOM 1213 C VAL A 85 -10.705 0.920 -5.185 1.00 0.00 C ATOM 1214 O VAL A 85 -11.320 1.707 -5.905 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.901 0.729 -2.968 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.980 -0.052 -2.214 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.741 1.015 -1.996 1.00 0.00 C ATOM 0 H VAL A 85 -10.039 -1.108 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.388 -0.345 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.278 1.691 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.261 0.493 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.855 -0.172 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.594 -1.033 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.121 1.545 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.289 0.074 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.991 1.629 -2.495 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.374 0.803 -5.203 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.433 1.570 -6.028 1.00 0.00 C ATOM 1229 C ALA A 86 -7.007 1.038 -5.873 1.00 0.00 C ATOM 1230 O ALA A 86 -6.746 0.189 -5.023 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.471 3.038 -5.591 1.00 0.00 C ATOM 0 H ALA A 86 -8.894 0.129 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.726 1.473 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.775 3.617 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.479 3.431 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.186 3.113 -4.542 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.064 1.625 -6.614 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.635 1.503 -6.364 1.00 0.00 C ATOM 1239 C ARG A 87 -3.886 2.726 -6.894 1.00 0.00 C ATOM 1240 O ARG A 87 -4.361 3.397 -7.810 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.104 0.178 -6.925 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.111 0.085 -8.460 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.367 -1.178 -8.887 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.198 -2.386 -8.757 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.807 -3.637 -8.946 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.600 -3.957 -9.366 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.644 -4.619 -8.715 1.00 0.00 N ATOM 0 H ARG A 87 -6.283 2.210 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.458 1.479 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.084 0.031 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.703 -0.638 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.136 0.061 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.636 0.966 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.042 -1.073 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.469 -1.291 -8.280 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.174 -2.245 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.917 -3.225 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.348 -4.937 -9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.590 -4.417 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.349 -5.585 -8.859 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.721 3.002 -6.313 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.795 4.075 -6.730 1.00 0.00 C ATOM 1260 C VAL A 88 -0.420 3.452 -7.006 1.00 0.00 C ATOM 1261 O VAL A 88 -0.012 2.514 -6.322 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.700 5.170 -5.644 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.632 6.247 -5.947 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -3.027 5.901 -5.384 1.00 0.00 C ATOM 0 H VAL A 88 -2.376 2.473 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.167 4.552 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.415 4.606 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.620 6.984 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.348 5.776 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.871 6.741 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.882 6.655 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.362 6.384 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.779 5.184 -5.056 1.00 0.00 H new ATOM 1274 N VAL A 89 0.285 3.981 -8.008 1.00 0.00 N ATOM 1275 CA VAL A 89 1.592 3.502 -8.478 1.00 0.00 C ATOM 1276 C VAL A 89 2.454 4.687 -8.919 1.00 0.00 C ATOM 1277 O VAL A 89 1.967 5.601 -9.586 1.00 0.00 O ATOM 1278 CB VAL A 89 1.431 2.443 -9.599 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.425 2.840 -10.689 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.768 2.100 -10.277 1.00 0.00 C ATOM 0 H VAL A 89 -0.050 4.786 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 89 2.104 3.005 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 89 1.043 1.568 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.368 2.049 -11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.558 2.987 -10.241 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.750 3.766 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.601 1.354 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.191 3.000 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.461 1.702 -9.535 1.00 0.00 H new ATOM 1290 N ARG A 90 3.731 4.678 -8.506 1.00 0.00 N ATOM 1291 CA ARG A 90 4.748 5.693 -8.820 1.00 0.00 C ATOM 1292 C ARG A 90 4.286 7.122 -8.413 1.00 0.00 C ATOM 1293 O ARG A 90 3.989 7.938 -9.289 1.00 0.00 O ATOM 1294 CB ARG A 90 5.170 5.574 -10.300 1.00 0.00 C ATOM 1295 CG ARG A 90 6.660 5.890 -10.461 1.00 0.00 C ATOM 1296 CD ARG A 90 7.120 5.777 -11.919 1.00 0.00 C ATOM 1297 NE ARG A 90 8.582 5.602 -11.992 1.00 0.00 N ATOM 1298 CZ ARG A 90 9.373 5.809 -13.034 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.916 6.268 -14.184 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.653 5.540 -12.922 1.00 0.00 N ATOM 0 H ARG A 90 4.099 3.930 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 90 5.637 5.505 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.965 4.567 -10.663 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.579 6.259 -10.909 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.858 6.898 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.244 5.207 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.623 4.933 -12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.828 6.672 -12.468 1.00 0.00 H new ATOM 0 HE ARG A 90 9.039 5.283 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.923 6.476 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.556 6.415 -14.965 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.023 5.178 -12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.277 5.693 -13.714 1.00 0.00 H new ATOM 1311 N PRO A 91 4.144 7.421 -7.098 1.00 0.00 N ATOM 1312 CA PRO A 91 3.360 8.557 -6.592 1.00 0.00 C ATOM 1313 C PRO A 91 3.826 9.937 -7.073 1.00 0.00 C ATOM 1314 O PRO A 91 2.990 10.775 -7.403 1.00 0.00 O ATOM 1315 CB PRO A 91 3.401 8.445 -5.069 1.00 0.00 C ATOM 1316 CG PRO A 91 4.604 7.549 -4.769 1.00 0.00 C ATOM 1317 CD PRO A 91 4.637 6.622 -5.979 1.00 0.00 C ATOM 0 HA PRO A 91 2.347 8.494 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.513 9.425 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.480 8.011 -4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.525 8.125 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.476 6.996 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.648 6.262 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.011 5.744 -5.818 1.00 0.00 H new ATOM 1322 N GLY A 92 5.140 10.189 -7.124 1.00 0.00 N ATOM 1323 CA GLY A 92 5.728 11.438 -7.640 1.00 0.00 C ATOM 1324 C GLY A 92 5.688 12.604 -6.646 1.00 0.00 C ATOM 1325 O GLY A 92 6.714 13.242 -6.414 1.00 0.00 O ATOM 0 H GLY A 92 5.840 9.520 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.764 11.250 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.198 11.729 -8.547 1.00 0.00 H new ATOM 1329 N SER A 93 4.533 12.871 -6.032 1.00 0.00 N ATOM 1330 CA SER A 93 4.350 13.894 -4.992 1.00 0.00 C ATOM 1331 C SER A 93 3.086 13.653 -4.158 1.00 0.00 C ATOM 1332 O SER A 93 2.117 13.035 -4.618 1.00 0.00 O ATOM 1333 CB SER A 93 4.296 15.306 -5.593 1.00 0.00 C ATOM 1334 OG SER A 93 4.489 16.288 -4.576 1.00 0.00 O ATOM 0 H SER A 93 3.672 12.368 -6.249 1.00 0.00 H new ATOM 0 HA SER A 93 5.218 13.815 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.064 15.411 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.334 15.464 -6.082 1.00 0.00 H new ATOM 0 HG SER A 93 4.454 17.183 -4.974 1.00 0.00 H new ATOM 1339 N ALA A 94 3.074 14.187 -2.927 1.00 0.00 N ATOM 1340 CA ALA A 94 1.983 14.050 -1.963 1.00 0.00 C ATOM 1341 C ALA A 94 0.632 14.516 -2.518 1.00 0.00 C ATOM 1342 O ALA A 94 -0.380 13.905 -2.208 1.00 0.00 O ATOM 1343 CB ALA A 94 2.383 14.829 -0.707 1.00 0.00 C ATOM 0 H ALA A 94 3.850 14.743 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 94 1.836 12.996 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.591 14.750 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.306 14.415 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.537 15.877 -0.963 1.00 0.00 H new ATOM 1349 N SER A 95 0.610 15.505 -3.410 1.00 0.00 N ATOM 1350 CA SER A 95 -0.612 15.952 -4.081 1.00 0.00 C ATOM 1351 C SER A 95 -1.357 14.823 -4.819 1.00 0.00 C ATOM 1352 O SER A 95 -2.587 14.819 -4.822 1.00 0.00 O ATOM 1353 CB SER A 95 -0.272 17.083 -5.063 1.00 0.00 C ATOM 1354 OG SER A 95 0.746 16.681 -5.973 1.00 0.00 O ATOM 0 H SER A 95 1.443 16.022 -3.690 1.00 0.00 H new ATOM 0 HA SER A 95 -1.287 16.308 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.166 17.370 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.057 17.963 -4.510 1.00 0.00 H new ATOM 0 HG SER A 95 0.944 17.417 -6.589 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.648 13.851 -5.404 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.234 12.695 -6.108 1.00 0.00 C ATOM 1361 C VAL A 96 -1.642 11.601 -5.123 1.00 0.00 C ATOM 1362 O VAL A 96 -2.689 10.979 -5.288 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.227 12.127 -7.139 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.774 10.893 -7.886 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.158 13.194 -8.179 1.00 0.00 C ATOM 0 H VAL A 96 0.372 13.842 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.127 13.037 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 96 0.649 11.825 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.027 10.537 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.999 10.104 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.683 11.166 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.866 12.769 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.735 13.525 -8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.617 14.045 -7.675 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.833 11.367 -4.087 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.090 10.337 -3.093 1.00 0.00 C ATOM 1377 C LEU A 97 -2.264 10.718 -2.170 1.00 0.00 C ATOM 1378 O LEU A 97 -3.213 9.951 -2.037 1.00 0.00 O ATOM 1379 CB LEU A 97 0.219 10.041 -2.330 1.00 0.00 C ATOM 1380 CG LEU A 97 0.553 8.535 -2.357 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.879 8.253 -1.674 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.586 7.759 -1.700 1.00 0.00 C ATOM 0 H LEU A 97 0.024 11.894 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.406 9.418 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.038 10.606 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.125 10.377 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 97 0.656 8.210 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.086 7.183 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.675 8.794 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.830 8.579 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.357 6.693 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.704 8.090 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.512 7.939 -2.247 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.247 11.925 -1.603 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.344 12.486 -0.806 1.00 0.00 C ATOM 1395 C GLU A 98 -4.677 12.525 -1.570 1.00 0.00 C ATOM 1396 O GLU A 98 -5.714 12.185 -1.006 1.00 0.00 O ATOM 1397 CB GLU A 98 -2.991 13.906 -0.334 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.823 13.984 0.661 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.620 15.434 1.140 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -0.970 16.233 0.428 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.110 15.782 2.239 1.00 0.00 O ATOM 0 H GLU A 98 -1.451 12.557 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.472 11.824 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.748 14.513 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.873 14.350 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.021 13.337 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.911 13.619 0.189 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.656 12.886 -2.864 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.835 12.904 -3.748 1.00 0.00 C ATOM 1408 C GLU A 99 -6.530 11.537 -3.846 1.00 0.00 C ATOM 1409 O GLU A 99 -7.756 11.454 -3.951 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.402 13.369 -5.152 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.467 13.196 -6.237 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.130 14.025 -7.488 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.417 15.248 -7.515 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.594 13.457 -8.470 1.00 0.00 O ATOM 0 H GLU A 99 -3.801 13.180 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.559 13.595 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.121 14.421 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.510 12.815 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.547 12.143 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.439 13.500 -5.848 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.759 10.454 -3.804 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.296 9.107 -3.725 1.00 0.00 C ATOM 1421 C ALA A 100 -6.738 8.765 -2.298 1.00 0.00 C ATOM 1422 O ALA A 100 -7.848 8.281 -2.115 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.255 8.139 -4.288 1.00 0.00 C ATOM 0 H ALA A 100 -4.740 10.491 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.200 9.022 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.640 7.121 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.043 8.396 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.338 8.210 -3.703 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.942 9.074 -1.269 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.272 8.726 0.113 1.00 0.00 C ATOM 1431 C PHE A 101 -7.634 9.298 0.527 1.00 0.00 C ATOM 1432 O PHE A 101 -8.487 8.546 1.000 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.168 9.206 1.052 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.187 8.119 1.445 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.270 7.602 0.508 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.186 7.625 2.764 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.357 6.625 0.910 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.270 6.644 3.155 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.350 6.147 2.225 1.00 0.00 C ATOM 0 H PHE A 101 -5.056 9.569 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.343 7.641 0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.623 10.019 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.623 9.616 1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.273 7.958 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.899 8.007 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.647 6.233 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.272 6.272 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.635 5.395 2.522 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.874 10.593 0.296 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.169 11.226 0.568 1.00 0.00 C ATOM 1450 C GLU A 102 -10.329 10.554 -0.182 1.00 0.00 C ATOM 1451 O GLU A 102 -11.424 10.408 0.366 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.148 12.736 0.275 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.721 13.155 -1.141 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.853 13.787 -1.969 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.597 13.056 -2.659 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -9.988 15.034 -1.960 1.00 0.00 O ATOM 0 H GLU A 102 -7.176 11.232 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.344 11.087 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.146 13.133 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.476 13.213 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.897 13.865 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.341 12.281 -1.670 1.00 0.00 H new ATOM 1461 N SER A 103 -10.086 10.082 -1.400 1.00 0.00 N ATOM 1462 CA SER A 103 -11.109 9.417 -2.210 1.00 0.00 C ATOM 1463 C SER A 103 -11.477 8.020 -1.668 1.00 0.00 C ATOM 1464 O SER A 103 -12.633 7.594 -1.771 1.00 0.00 O ATOM 1465 CB SER A 103 -10.628 9.340 -3.673 1.00 0.00 C ATOM 1466 OG SER A 103 -11.653 8.896 -4.549 1.00 0.00 O ATOM 0 H SER A 103 -9.176 10.148 -1.856 1.00 0.00 H new ATOM 0 HA SER A 103 -12.022 10.010 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.279 10.322 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.777 8.663 -3.739 1.00 0.00 H new ATOM 0 HG SER A 103 -11.308 8.863 -5.466 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.520 7.315 -1.036 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.721 5.941 -0.543 1.00 0.00 C ATOM 1473 C LEU A 104 -11.011 5.860 0.958 1.00 0.00 C ATOM 1474 O LEU A 104 -11.684 4.922 1.392 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.517 5.054 -0.931 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.424 4.640 -2.420 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.789 4.361 -3.066 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.668 5.662 -3.269 1.00 0.00 C ATOM 0 H LEU A 104 -9.586 7.683 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.619 5.563 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.602 5.583 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.549 4.148 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.862 3.706 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.647 4.077 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.285 3.550 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.406 5.258 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.633 5.321 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.179 6.624 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.652 5.771 -2.889 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.581 6.852 1.736 1.00 0.00 N ATOM 1490 CA VAL A 105 -10.946 7.015 3.149 1.00 0.00 C ATOM 1491 C VAL A 105 -12.429 7.409 3.299 1.00 0.00 C ATOM 1492 O VAL A 105 -13.056 7.054 4.295 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.010 8.028 3.848 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.474 9.480 3.714 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -9.852 7.685 5.328 1.00 0.00 C ATOM 0 H VAL A 105 -9.955 7.583 1.397 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.816 6.053 3.645 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.051 7.946 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.771 10.136 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.519 9.752 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.463 9.589 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.190 8.410 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.827 7.713 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.426 6.686 5.427 1.00 0.00 H new ATOM 1505 N GLY A 106 -12.982 8.110 2.299 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.383 8.554 2.247 1.00 0.00 C ATOM 1507 C GLY A 106 -14.615 10.012 2.660 1.00 0.00 C ATOM 1508 O GLY A 106 -15.767 10.425 2.796 1.00 0.00 O ATOM 0 H GLY A 106 -12.449 8.393 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.755 8.416 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.977 7.909 2.895 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.546 10.796 2.849 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.614 12.239 3.121 1.00 0.00 C ATOM 1514 C GLU A 107 -13.799 13.066 1.837 1.00 0.00 C ATOM 1515 O GLU A 107 -14.337 14.175 1.881 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.323 12.685 3.842 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.280 12.302 5.326 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.271 13.123 6.164 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.973 14.300 6.486 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.352 12.595 6.522 1.00 0.00 O ATOM 0 H GLU A 107 -12.591 10.439 2.817 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.484 12.416 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.464 12.242 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.223 13.767 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.507 11.241 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.271 12.452 5.709 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.352 12.529 0.695 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.383 13.182 -0.613 1.00 0.00 C ATOM 1527 C GLY A 108 -14.675 12.928 -1.390 1.00 0.00 C ATOM 1528 O GLY A 108 -15.291 11.865 -1.298 1.00 0.00 O ATOM 0 H GLY A 108 -12.945 11.594 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.255 14.256 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.537 12.832 -1.205 1.00 0.00 H new