USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.499 USER MOD Set 1.2: A 100 THR OG1 : rot -62:sc= 0.538 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 CYS SG : rot 15:sc= 0.75 USER MOD Set 3.1: A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 27 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.301 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -100:sc= -2.24 USER MOD Single : A 44 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 45 SER OG : rot 160:sc= 0.0383 USER MOD Single : A 48 MET CE :methyl -141:sc= -0.268 (180deg=-1.81!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= 0.291 (180deg=-0.23) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.41 USER MOD Single : A 61 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -74:sc= -0.0566 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -53:sc= 0.0136 USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= -0.064 (180deg=-0.469) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.00259 USER MOD Single : A 79 SER OG : rot -18:sc= 0.891! USER MOD Single : A 86 ASN : amide:sc= -1.38 K(o=-1.4,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -139:sc= -2 (180deg=-2.96) USER MOD Single : A 94 SER OG : rot 82:sc=-0.00456 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -156:sc= 0.485 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.395 16.920 4.825 1.00 0.00 N ATOM 67 CA PRO A 8 9.630 15.773 4.327 1.00 0.00 C ATOM 68 C PRO A 8 8.725 16.143 3.158 1.00 0.00 C ATOM 69 O PRO A 8 8.359 17.303 2.968 1.00 0.00 O ATOM 70 CB PRO A 8 8.794 15.352 5.539 1.00 0.00 C ATOM 71 CG PRO A 8 8.665 16.590 6.358 1.00 0.00 C ATOM 72 CD PRO A 8 9.943 17.355 6.157 1.00 0.00 C ATOM 0 HA PRO A 8 10.279 14.985 3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.818 14.975 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.283 14.555 6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.804 17.179 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.517 16.348 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.777 18.432 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.678 17.120 6.927 1.00 0.00 H new ATOM 80 N PRO A 9 8.353 15.136 2.354 1.00 0.00 N ATOM 81 CA PRO A 9 7.484 15.332 1.190 1.00 0.00 C ATOM 82 C PRO A 9 6.052 15.674 1.586 1.00 0.00 C ATOM 83 O PRO A 9 5.587 15.294 2.659 1.00 0.00 O ATOM 84 CB PRO A 9 7.533 13.977 0.479 1.00 0.00 C ATOM 85 CG PRO A 9 7.862 12.998 1.552 1.00 0.00 C ATOM 86 CD PRO A 9 8.751 13.728 2.520 1.00 0.00 C ATOM 0 HA PRO A 9 7.814 16.166 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.578 13.742 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.287 13.970 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.958 12.641 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.367 12.124 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.598 13.385 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.806 13.579 2.288 1.00 0.00 H new ATOM 94 N GLY A 10 5.357 16.395 0.711 1.00 0.00 N ATOM 95 CA GLY A 10 3.984 16.776 0.988 1.00 0.00 C ATOM 96 C GLY A 10 3.035 15.595 0.946 1.00 0.00 C ATOM 97 O GLY A 10 3.451 14.438 0.876 1.00 0.00 O ATOM 0 H GLY A 10 5.720 16.722 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.932 17.245 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.663 17.522 0.261 1.00 0.00 H new ATOM 101 N PRO A 11 1.725 15.882 0.990 1.00 0.00 N ATOM 102 CA PRO A 11 0.687 14.847 0.959 1.00 0.00 C ATOM 103 C PRO A 11 0.590 14.163 -0.400 1.00 0.00 C ATOM 104 O PRO A 11 0.211 14.785 -1.393 1.00 0.00 O ATOM 105 CB PRO A 11 -0.597 15.625 1.259 1.00 0.00 C ATOM 106 CG PRO A 11 -0.308 17.018 0.818 1.00 0.00 C ATOM 107 CD PRO A 11 1.157 17.238 1.074 1.00 0.00 C ATOM 0 HA PRO A 11 0.891 14.044 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.448 15.208 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.843 15.589 2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.544 17.150 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.913 17.736 1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.599 17.905 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.331 17.687 2.052 1.00 0.00 H new ATOM 115 N CYS A 12 0.936 12.881 -0.438 1.00 0.00 N ATOM 116 CA CYS A 12 0.888 12.113 -1.676 1.00 0.00 C ATOM 117 C CYS A 12 -0.553 11.822 -2.081 1.00 0.00 C ATOM 118 O CYS A 12 -1.491 12.142 -1.349 1.00 0.00 O ATOM 119 CB CYS A 12 1.660 10.802 -1.518 1.00 0.00 C ATOM 120 SG CYS A 12 3.404 11.019 -1.093 1.00 0.00 S ATOM 0 H CYS A 12 1.253 12.352 0.375 1.00 0.00 H new ATOM 0 HA CYS A 12 1.354 12.709 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.181 10.201 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.591 10.238 -2.448 1.00 0.00 H new ATOM 0 HG CYS A 12 3.971 9.855 -0.979 1.00 0.00 H new ATOM 126 N LEU A 13 -0.723 11.216 -3.251 1.00 0.00 N ATOM 127 CA LEU A 13 -2.051 10.884 -3.755 1.00 0.00 C ATOM 128 C LEU A 13 -2.429 9.452 -3.390 1.00 0.00 C ATOM 129 O LEU A 13 -1.573 8.594 -3.171 1.00 0.00 O ATOM 130 CB LEU A 13 -2.102 11.066 -5.273 1.00 0.00 C ATOM 131 CG LEU A 13 -2.089 12.509 -5.777 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.806 12.551 -7.270 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.411 13.195 -5.464 1.00 0.00 C ATOM 0 H LEU A 13 0.042 10.945 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.769 11.560 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.252 10.542 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.003 10.580 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.292 13.046 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.801 13.586 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.834 12.099 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.580 11.998 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.384 14.221 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.224 12.657 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.573 13.198 -4.386 1.00 0.00 H new ATOM 145 N PRO A 14 -3.742 9.185 -3.324 1.00 0.00 N ATOM 146 CA PRO A 14 -4.264 7.857 -2.988 1.00 0.00 C ATOM 147 C PRO A 14 -4.012 6.839 -4.095 1.00 0.00 C ATOM 148 O PRO A 14 -4.098 7.145 -5.285 1.00 0.00 O ATOM 149 CB PRO A 14 -5.765 8.099 -2.815 1.00 0.00 C ATOM 150 CG PRO A 14 -6.053 9.303 -3.643 1.00 0.00 C ATOM 151 CD PRO A 14 -4.818 10.159 -3.572 1.00 0.00 C ATOM 0 HA PRO A 14 -3.781 7.441 -2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.346 7.240 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.021 8.268 -1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.276 9.024 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.922 9.840 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.656 10.709 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.885 10.896 -2.772 1.00 0.00 H new ATOM 159 N PRO A 15 -3.695 5.597 -3.698 1.00 0.00 N ATOM 160 CA PRO A 15 -3.426 4.508 -4.642 1.00 0.00 C ATOM 161 C PRO A 15 -4.682 4.057 -5.380 1.00 0.00 C ATOM 162 O PRO A 15 -5.748 3.914 -4.780 1.00 0.00 O ATOM 163 CB PRO A 15 -2.899 3.385 -3.746 1.00 0.00 C ATOM 164 CG PRO A 15 -3.483 3.664 -2.405 1.00 0.00 C ATOM 165 CD PRO A 15 -3.575 5.161 -2.297 1.00 0.00 C ATOM 0 HA PRO A 15 -2.730 4.809 -5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.206 2.407 -4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.810 3.385 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.466 3.204 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.856 3.253 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.437 5.469 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.692 5.584 -1.819 1.00 0.00 H new ATOM 173 N ARG A 16 -4.549 3.833 -6.683 1.00 0.00 N ATOM 174 CA ARG A 16 -5.674 3.399 -7.502 1.00 0.00 C ATOM 175 C ARG A 16 -5.637 1.889 -7.719 1.00 0.00 C ATOM 176 O ARG A 16 -4.701 1.360 -8.321 1.00 0.00 O ATOM 177 CB ARG A 16 -5.659 4.120 -8.851 1.00 0.00 C ATOM 178 CG ARG A 16 -6.213 5.534 -8.793 1.00 0.00 C ATOM 179 CD ARG A 16 -7.663 5.545 -8.333 1.00 0.00 C ATOM 180 NE ARG A 16 -8.391 6.701 -8.849 1.00 0.00 N ATOM 181 CZ ARG A 16 -8.808 6.807 -10.106 1.00 0.00 C ATOM 182 NH1 ARG A 16 -8.569 5.830 -10.971 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.465 7.890 -10.500 1.00 0.00 N ATOM 0 H ARG A 16 -3.673 3.945 -7.194 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.594 3.651 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.635 4.155 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.239 3.541 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.610 6.135 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.139 5.996 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.155 4.630 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.698 5.551 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.590 7.470 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.064 4.996 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.890 5.913 -11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.651 8.643 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.784 7.970 -11.465 1.00 0.00 H new ATOM 197 N LEU A 17 -6.660 1.200 -7.225 1.00 0.00 N ATOM 198 CA LEU A 17 -6.745 -0.250 -7.365 1.00 0.00 C ATOM 199 C LEU A 17 -6.171 -0.702 -8.704 1.00 0.00 C ATOM 200 O LEU A 17 -6.334 -0.026 -9.719 1.00 0.00 O ATOM 201 CB LEU A 17 -8.198 -0.710 -7.237 1.00 0.00 C ATOM 202 CG LEU A 17 -8.410 -2.110 -6.661 1.00 0.00 C ATOM 203 CD1 LEU A 17 -9.773 -2.213 -5.995 1.00 0.00 C ATOM 204 CD2 LEU A 17 -8.267 -3.163 -7.751 1.00 0.00 C ATOM 0 H LEU A 17 -7.442 1.622 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.156 -0.703 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.730 0.004 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.659 -0.671 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.645 -2.290 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.906 -3.217 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.839 -1.485 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.553 -2.011 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.421 -4.153 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.009 -2.985 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.268 -3.106 -8.183 1.00 0.00 H new ATOM 216 N GLN A 18 -5.503 -1.851 -8.698 1.00 0.00 N ATOM 217 CA GLN A 18 -4.907 -2.394 -9.913 1.00 0.00 C ATOM 218 C GLN A 18 -5.750 -3.537 -10.468 1.00 0.00 C ATOM 219 O GLN A 18 -6.085 -4.480 -9.751 1.00 0.00 O ATOM 220 CB GLN A 18 -3.484 -2.882 -9.634 1.00 0.00 C ATOM 221 CG GLN A 18 -2.567 -2.805 -10.844 1.00 0.00 C ATOM 222 CD GLN A 18 -1.449 -3.827 -10.795 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.588 -4.942 -11.299 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.330 -3.452 -10.185 1.00 0.00 N ATOM 0 H GLN A 18 -5.361 -2.424 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.871 -1.599 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.057 -2.288 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.524 -3.914 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.154 -2.957 -11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.138 -1.805 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.258 -2.518 -9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.457 -4.098 -10.121 1.00 0.00 H new ATOM 233 N GLY A 19 -6.090 -3.447 -11.750 1.00 0.00 N ATOM 234 CA GLY A 19 -6.892 -4.480 -12.379 1.00 0.00 C ATOM 235 C GLY A 19 -8.192 -4.734 -11.643 1.00 0.00 C ATOM 236 O GLY A 19 -9.180 -4.030 -11.854 1.00 0.00 O ATOM 0 H GLY A 19 -5.824 -2.677 -12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.111 -4.190 -13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.317 -5.405 -12.424 1.00 0.00 H new ATOM 240 N ARG A 20 -8.194 -5.744 -10.779 1.00 0.00 N ATOM 241 CA ARG A 20 -9.384 -6.090 -10.011 1.00 0.00 C ATOM 242 C ARG A 20 -9.005 -6.631 -8.636 1.00 0.00 C ATOM 243 O ARG A 20 -8.037 -7.376 -8.479 1.00 0.00 O ATOM 244 CB ARG A 20 -10.219 -7.126 -10.766 1.00 0.00 C ATOM 245 CG ARG A 20 -10.744 -6.628 -12.103 1.00 0.00 C ATOM 246 CD ARG A 20 -12.004 -5.794 -11.931 1.00 0.00 C ATOM 247 NE ARG A 20 -12.667 -5.534 -13.206 1.00 0.00 N ATOM 248 CZ ARG A 20 -12.194 -4.697 -14.122 1.00 0.00 C ATOM 249 NH1 ARG A 20 -11.062 -4.042 -13.906 1.00 0.00 N ATOM 250 NH2 ARG A 20 -12.855 -4.513 -15.258 1.00 0.00 N ATOM 0 H ARG A 20 -7.385 -6.337 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.975 -5.184 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.614 -8.017 -10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.062 -7.425 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.977 -6.032 -12.597 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.955 -7.478 -12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.693 -6.311 -11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.750 -4.847 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.541 -6.022 -13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.551 -4.180 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.702 -3.400 -14.612 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.727 -5.015 -15.428 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.491 -3.870 -15.961 1.00 0.00 H new ATOM 264 N PRO A 21 -9.784 -6.248 -7.614 1.00 0.00 N ATOM 265 CA PRO A 21 -9.550 -6.682 -6.233 1.00 0.00 C ATOM 266 C PRO A 21 -9.849 -8.164 -6.033 1.00 0.00 C ATOM 267 O PRO A 21 -10.499 -8.795 -6.867 1.00 0.00 O ATOM 268 CB PRO A 21 -10.526 -5.826 -5.422 1.00 0.00 C ATOM 269 CG PRO A 21 -11.612 -5.478 -6.380 1.00 0.00 C ATOM 270 CD PRO A 21 -10.954 -5.361 -7.727 1.00 0.00 C ATOM 0 HA PRO A 21 -8.508 -6.560 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.916 -6.375 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.039 -4.931 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.385 -6.246 -6.389 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.095 -4.542 -6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.621 -5.677 -8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.660 -4.334 -7.943 1.00 0.00 H new ATOM 278 N LYS A 22 -9.372 -8.714 -4.922 1.00 0.00 N ATOM 279 CA LYS A 22 -9.589 -10.122 -4.611 1.00 0.00 C ATOM 280 C LYS A 22 -10.417 -10.277 -3.339 1.00 0.00 C ATOM 281 O LYS A 22 -10.814 -9.289 -2.722 1.00 0.00 O ATOM 282 CB LYS A 22 -8.249 -10.843 -4.451 1.00 0.00 C ATOM 283 CG LYS A 22 -7.330 -10.693 -5.651 1.00 0.00 C ATOM 284 CD LYS A 22 -7.594 -11.767 -6.692 1.00 0.00 C ATOM 285 CE LYS A 22 -7.054 -11.365 -8.057 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.120 -12.489 -9.032 1.00 0.00 N ATOM 0 H LYS A 22 -8.832 -8.206 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.139 -10.570 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.742 -10.458 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.435 -11.903 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.471 -9.709 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.292 -10.749 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.131 -12.702 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.666 -11.951 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.625 -10.519 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.021 -11.032 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.743 -12.175 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.554 -13.288 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.109 -12.790 -9.148 1.00 0.00 H new ATOM 300 N ALA A 23 -10.672 -11.522 -2.951 1.00 0.00 N ATOM 301 CA ALA A 23 -11.448 -11.805 -1.751 1.00 0.00 C ATOM 302 C ALA A 23 -10.686 -11.398 -0.495 1.00 0.00 C ATOM 303 O ALA A 23 -11.220 -10.706 0.372 1.00 0.00 O ATOM 304 CB ALA A 23 -11.813 -13.281 -1.694 1.00 0.00 C ATOM 0 H ALA A 23 -10.352 -12.351 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.365 -11.217 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.393 -13.478 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.405 -13.543 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.903 -13.881 -1.678 1.00 0.00 H new ATOM 310 N LYS A 24 -9.433 -11.832 -0.402 1.00 0.00 N ATOM 311 CA LYS A 24 -8.595 -11.512 0.748 1.00 0.00 C ATOM 312 C LYS A 24 -7.337 -10.768 0.314 1.00 0.00 C ATOM 313 O LYS A 24 -6.385 -10.641 1.083 1.00 0.00 O ATOM 314 CB LYS A 24 -8.212 -12.791 1.497 1.00 0.00 C ATOM 315 CG LYS A 24 -9.407 -13.577 2.009 1.00 0.00 C ATOM 316 CD LYS A 24 -9.034 -14.446 3.198 1.00 0.00 C ATOM 317 CE LYS A 24 -10.255 -14.802 4.032 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.006 -15.985 4.903 1.00 0.00 N ATOM 0 H LYS A 24 -8.975 -12.407 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.166 -10.865 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.625 -13.428 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.571 -12.531 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.201 -12.888 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.802 -14.203 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.553 -15.359 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.308 -13.922 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.534 -13.948 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.098 -15.008 3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.862 -16.196 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.764 -16.806 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.218 -15.780 5.550 1.00 0.00 H new ATOM 332 N GLU A 25 -7.341 -10.278 -0.921 1.00 0.00 N ATOM 333 CA GLU A 25 -6.199 -9.545 -1.456 1.00 0.00 C ATOM 334 C GLU A 25 -6.658 -8.367 -2.310 1.00 0.00 C ATOM 335 O GLU A 25 -7.793 -8.339 -2.787 1.00 0.00 O ATOM 336 CB GLU A 25 -5.311 -10.475 -2.286 1.00 0.00 C ATOM 337 CG GLU A 25 -4.458 -11.412 -1.447 1.00 0.00 C ATOM 338 CD GLU A 25 -3.996 -12.631 -2.221 1.00 0.00 C ATOM 339 OE1 GLU A 25 -4.627 -12.954 -3.249 1.00 0.00 O ATOM 340 OE2 GLU A 25 -3.005 -13.262 -1.798 1.00 0.00 O ATOM 0 H GLU A 25 -8.122 -10.375 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.623 -9.158 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.940 -11.067 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.659 -9.872 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.588 -10.871 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.028 -11.734 -0.576 1.00 0.00 H new ATOM 347 N ILE A 26 -5.770 -7.398 -2.497 1.00 0.00 N ATOM 348 CA ILE A 26 -6.084 -6.218 -3.294 1.00 0.00 C ATOM 349 C ILE A 26 -4.816 -5.571 -3.841 1.00 0.00 C ATOM 350 O ILE A 26 -3.914 -5.214 -3.084 1.00 0.00 O ATOM 351 CB ILE A 26 -6.865 -5.176 -2.472 1.00 0.00 C ATOM 352 CG1 ILE A 26 -8.055 -5.835 -1.771 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.334 -4.039 -3.367 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.905 -4.863 -0.982 1.00 0.00 C ATOM 0 H ILE A 26 -4.827 -7.406 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.705 -6.554 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.202 -4.764 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.678 -6.328 -2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.687 -6.611 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.884 -3.311 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.470 -3.556 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.984 -4.435 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.730 -5.399 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.296 -4.388 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.303 -4.101 -1.652 1.00 0.00 H new ATOM 366 N GLN A 27 -4.757 -5.421 -5.160 1.00 0.00 N ATOM 367 CA GLN A 27 -3.600 -4.815 -5.809 1.00 0.00 C ATOM 368 C GLN A 27 -3.771 -3.304 -5.926 1.00 0.00 C ATOM 369 O GLN A 27 -4.877 -2.809 -6.146 1.00 0.00 O ATOM 370 CB GLN A 27 -3.388 -5.426 -7.195 1.00 0.00 C ATOM 371 CG GLN A 27 -2.990 -6.892 -7.160 1.00 0.00 C ATOM 372 CD GLN A 27 -3.270 -7.604 -8.469 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.803 -7.186 -9.528 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.036 -8.687 -8.402 1.00 0.00 N ATOM 0 H GLN A 27 -5.496 -5.711 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.723 -5.016 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.306 -5.321 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.616 -4.861 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.928 -6.971 -6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.530 -7.392 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.402 -8.998 -7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.258 -9.208 -9.250 1.00 0.00 H new ATOM 383 N LEU A 28 -2.669 -2.576 -5.778 1.00 0.00 N ATOM 384 CA LEU A 28 -2.697 -1.120 -5.867 1.00 0.00 C ATOM 385 C LEU A 28 -1.568 -0.608 -6.755 1.00 0.00 C ATOM 386 O LEU A 28 -0.534 -1.261 -6.901 1.00 0.00 O ATOM 387 CB LEU A 28 -2.585 -0.502 -4.472 1.00 0.00 C ATOM 388 CG LEU A 28 -3.638 -0.944 -3.455 1.00 0.00 C ATOM 389 CD1 LEU A 28 -3.098 -0.821 -2.039 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.911 -0.126 -3.616 1.00 0.00 C ATOM 0 H LEU A 28 -1.746 -2.970 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.647 -0.825 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.600 -0.738 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.638 0.582 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.877 -1.991 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.861 -1.140 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.215 -1.451 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.829 0.217 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.649 -0.454 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.688 0.929 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.309 -0.266 -4.621 1.00 0.00 H new ATOM 402 N ARG A 29 -1.772 0.566 -7.344 1.00 0.00 N ATOM 403 CA ARG A 29 -0.771 1.167 -8.217 1.00 0.00 C ATOM 404 C ARG A 29 -0.768 2.686 -8.076 1.00 0.00 C ATOM 405 O ARG A 29 -1.662 3.367 -8.579 1.00 0.00 O ATOM 406 CB ARG A 29 -1.034 0.779 -9.673 1.00 0.00 C ATOM 407 CG ARG A 29 -0.229 1.591 -10.675 1.00 0.00 C ATOM 408 CD ARG A 29 -0.127 0.880 -12.015 1.00 0.00 C ATOM 409 NE ARG A 29 -1.227 1.235 -12.908 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.597 0.496 -13.948 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.959 -0.633 -14.224 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.608 0.886 -14.714 1.00 0.00 N ATOM 0 H ARG A 29 -2.621 1.120 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 29 0.208 0.790 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.803 -0.278 -9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.096 0.903 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.696 2.566 -10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.771 1.770 -10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.821 1.134 -12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.124 -0.198 -11.854 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.739 2.098 -12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.182 -0.936 -13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.245 -1.198 -15.023 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.102 1.754 -14.504 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.892 0.318 -15.512 1.00 0.00 H new ATOM 426 N TRP A 30 0.241 3.210 -7.389 1.00 0.00 N ATOM 427 CA TRP A 30 0.359 4.649 -7.182 1.00 0.00 C ATOM 428 C TRP A 30 1.586 5.203 -7.897 1.00 0.00 C ATOM 429 O TRP A 30 2.285 4.477 -8.603 1.00 0.00 O ATOM 430 CB TRP A 30 0.438 4.964 -5.687 1.00 0.00 C ATOM 431 CG TRP A 30 1.573 4.274 -4.993 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.802 4.798 -4.713 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.583 2.932 -4.495 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.576 3.863 -4.069 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.851 2.710 -3.923 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.645 1.897 -4.474 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.202 1.495 -3.340 1.00 0.00 C ATOM 438 CZ3 TRP A 30 0.994 0.692 -3.895 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.264 0.500 -3.333 1.00 0.00 C ATOM 0 H TRP A 30 0.989 2.660 -6.966 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.527 5.126 -7.601 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.542 6.041 -5.555 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.499 4.674 -5.212 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.119 5.800 -4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.535 4.005 -3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.336 2.036 -4.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.181 1.344 -2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.277 -0.115 -3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.506 -0.453 -2.886 1.00 0.00 H new ATOM 450 N GLY A 31 1.844 6.493 -7.708 1.00 0.00 N ATOM 451 CA GLY A 31 2.988 7.122 -8.342 1.00 0.00 C ATOM 452 C GLY A 31 3.670 8.129 -7.438 1.00 0.00 C ATOM 453 O GLY A 31 3.223 8.398 -6.323 1.00 0.00 O ATOM 0 H GLY A 31 1.281 7.114 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.706 6.355 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.665 7.619 -9.256 1.00 0.00 H new ATOM 457 N PRO A 32 4.782 8.705 -7.920 1.00 0.00 N ATOM 458 CA PRO A 32 5.552 9.696 -7.163 1.00 0.00 C ATOM 459 C PRO A 32 4.811 11.021 -7.021 1.00 0.00 C ATOM 460 O PRO A 32 4.183 11.512 -7.959 1.00 0.00 O ATOM 461 CB PRO A 32 6.818 9.879 -8.004 1.00 0.00 C ATOM 462 CG PRO A 32 6.410 9.511 -9.388 1.00 0.00 C ATOM 463 CD PRO A 32 5.373 8.432 -9.241 1.00 0.00 C ATOM 0 HA PRO A 32 5.746 9.368 -6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.179 10.906 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.626 9.241 -7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.004 10.373 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.264 9.156 -9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.626 8.482 -10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.818 7.438 -9.284 1.00 0.00 H new ATOM 471 N PRO A 33 4.883 11.614 -5.820 1.00 0.00 N ATOM 472 CA PRO A 33 4.225 12.891 -5.527 1.00 0.00 C ATOM 473 C PRO A 33 4.879 14.061 -6.254 1.00 0.00 C ATOM 474 O PRO A 33 5.921 13.904 -6.893 1.00 0.00 O ATOM 475 CB PRO A 33 4.395 13.039 -4.013 1.00 0.00 C ATOM 476 CG PRO A 33 5.607 12.236 -3.688 1.00 0.00 C ATOM 477 CD PRO A 33 5.613 11.085 -4.656 1.00 0.00 C ATOM 0 HA PRO A 33 3.186 12.898 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.524 14.083 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.520 12.669 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.511 12.836 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.575 11.880 -2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.628 10.787 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.121 10.206 -4.239 1.00 0.00 H new ATOM 485 N LEU A 34 4.264 15.234 -6.152 1.00 0.00 N ATOM 486 CA LEU A 34 4.788 16.431 -6.800 1.00 0.00 C ATOM 487 C LEU A 34 5.753 17.170 -5.879 1.00 0.00 C ATOM 488 O LEU A 34 6.725 17.772 -6.335 1.00 0.00 O ATOM 489 CB LEU A 34 3.641 17.359 -7.206 1.00 0.00 C ATOM 490 CG LEU A 34 3.010 17.088 -8.572 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.131 15.849 -8.518 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.207 18.294 -9.037 1.00 0.00 C ATOM 0 H LEU A 34 3.402 15.382 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 34 5.331 16.123 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.861 17.292 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.009 18.385 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 34 3.810 16.910 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.691 15.672 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.734 14.988 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.337 15.998 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.765 18.083 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.416 18.504 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.864 19.160 -9.116 1.00 0.00 H new ATOM 504 N VAL A 35 5.479 17.119 -4.579 1.00 0.00 N ATOM 505 CA VAL A 35 6.325 17.781 -3.593 1.00 0.00 C ATOM 506 C VAL A 35 7.146 16.767 -2.804 1.00 0.00 C ATOM 507 O VAL A 35 6.640 16.124 -1.884 1.00 0.00 O ATOM 508 CB VAL A 35 5.489 18.623 -2.611 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.378 19.590 -1.845 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.390 19.369 -3.352 1.00 0.00 C ATOM 0 H VAL A 35 4.678 16.626 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 35 6.997 18.439 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 35 5.020 17.952 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.769 20.176 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.125 19.030 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.878 20.258 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.809 19.959 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.836 20.030 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.736 18.653 -3.850 1.00 0.00 H new ATOM 520 N ASP A 36 8.415 16.629 -3.170 1.00 0.00 N ATOM 521 CA ASP A 36 9.308 15.694 -2.495 1.00 0.00 C ATOM 522 C ASP A 36 10.176 16.416 -1.469 1.00 0.00 C ATOM 523 O ASP A 36 11.180 15.879 -1.002 1.00 0.00 O ATOM 524 CB ASP A 36 10.194 14.976 -3.515 1.00 0.00 C ATOM 525 CG ASP A 36 11.196 15.907 -4.169 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.631 16.871 -3.506 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.545 15.670 -5.344 1.00 0.00 O ATOM 0 H ASP A 36 8.849 17.152 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 36 8.696 14.958 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.726 14.163 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.566 14.525 -4.283 1.00 0.00 H new ATOM 532 N GLY A 37 9.782 17.637 -1.122 1.00 0.00 N ATOM 533 CA GLY A 37 10.535 18.413 -0.154 1.00 0.00 C ATOM 534 C GLY A 37 11.893 18.835 -0.679 1.00 0.00 C ATOM 535 O GLY A 37 12.775 19.210 0.092 1.00 0.00 O ATOM 0 H GLY A 37 8.954 18.103 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.963 19.300 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.667 17.825 0.755 1.00 0.00 H new ATOM 539 N GLY A 38 12.062 18.771 -1.996 1.00 0.00 N ATOM 540 CA GLY A 38 13.325 19.151 -2.601 1.00 0.00 C ATOM 541 C GLY A 38 14.220 17.958 -2.872 1.00 0.00 C ATOM 542 O GLY A 38 15.026 17.976 -3.802 1.00 0.00 O ATOM 0 H GLY A 38 11.347 18.463 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.133 19.677 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.844 19.849 -1.944 1.00 0.00 H new ATOM 546 N SER A 39 14.081 16.918 -2.055 1.00 0.00 N ATOM 547 CA SER A 39 14.888 15.713 -2.207 1.00 0.00 C ATOM 548 C SER A 39 14.114 14.632 -2.955 1.00 0.00 C ATOM 549 O SER A 39 12.903 14.477 -2.796 1.00 0.00 O ATOM 550 CB SER A 39 15.323 15.189 -0.838 1.00 0.00 C ATOM 551 OG SER A 39 16.561 14.505 -0.923 1.00 0.00 O ATOM 0 H SER A 39 13.417 16.886 -1.281 1.00 0.00 H new ATOM 0 HA SER A 39 15.774 15.970 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.411 16.020 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.560 14.518 -0.443 1.00 0.00 H new ATOM 0 HG SER A 39 16.400 13.538 -0.941 1.00 0.00 H new ATOM 557 N PRO A 40 14.828 13.866 -3.793 1.00 0.00 N ATOM 558 CA PRO A 40 14.230 12.785 -4.582 1.00 0.00 C ATOM 559 C PRO A 40 13.796 11.607 -3.717 1.00 0.00 C ATOM 560 O PRO A 40 14.623 10.961 -3.073 1.00 0.00 O ATOM 561 CB PRO A 40 15.361 12.368 -5.527 1.00 0.00 C ATOM 562 CG PRO A 40 16.611 12.755 -4.814 1.00 0.00 C ATOM 563 CD PRO A 40 16.275 13.995 -4.032 1.00 0.00 C ATOM 0 HA PRO A 40 13.324 13.108 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.335 11.297 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.281 12.875 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.947 11.956 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.420 12.946 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.834 14.044 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.511 14.900 -4.592 1.00 0.00 H new ATOM 571 N ILE A 41 12.496 11.332 -3.708 1.00 0.00 N ATOM 572 CA ILE A 41 11.954 10.230 -2.924 1.00 0.00 C ATOM 573 C ILE A 41 12.926 9.056 -2.882 1.00 0.00 C ATOM 574 O ILE A 41 13.570 8.733 -3.880 1.00 0.00 O ATOM 575 CB ILE A 41 10.606 9.747 -3.489 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.603 10.902 -3.534 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.061 8.599 -2.651 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.282 11.478 -2.173 1.00 0.00 C ATOM 0 H ILE A 41 11.799 11.858 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 41 11.800 10.607 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 41 10.764 9.387 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.001 11.693 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.681 10.553 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.108 8.268 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.769 7.770 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.916 8.935 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.565 12.292 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.854 10.700 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.195 11.858 -1.714 1.00 0.00 H new ATOM 590 N SER A 42 13.024 8.418 -1.719 1.00 0.00 N ATOM 591 CA SER A 42 13.919 7.279 -1.546 1.00 0.00 C ATOM 592 C SER A 42 13.126 5.988 -1.368 1.00 0.00 C ATOM 593 O SER A 42 13.462 4.955 -1.948 1.00 0.00 O ATOM 594 CB SER A 42 14.832 7.500 -0.339 1.00 0.00 C ATOM 595 OG SER A 42 15.813 6.481 -0.248 1.00 0.00 O ATOM 0 H SER A 42 12.495 8.670 -0.884 1.00 0.00 H new ATOM 0 HA SER A 42 14.531 7.189 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.319 8.472 -0.421 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.236 7.518 0.573 1.00 0.00 H new ATOM 0 HG SER A 42 16.385 6.646 0.531 1.00 0.00 H new ATOM 601 N CYS A 43 12.072 6.055 -0.562 1.00 0.00 N ATOM 602 CA CYS A 43 11.230 4.891 -0.306 1.00 0.00 C ATOM 603 C CYS A 43 9.817 5.317 0.078 1.00 0.00 C ATOM 604 O CYS A 43 9.617 6.373 0.678 1.00 0.00 O ATOM 605 CB CYS A 43 11.836 4.032 0.804 1.00 0.00 C ATOM 606 SG CYS A 43 13.325 3.131 0.311 1.00 0.00 S ATOM 0 H CYS A 43 11.780 6.902 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 43 11.177 4.303 -1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.076 4.671 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.088 3.317 1.145 1.00 0.00 H new ATOM 0 HG CYS A 43 13.778 3.619 -0.806 1.00 0.00 H new ATOM 612 N TYR A 44 8.839 4.489 -0.274 1.00 0.00 N ATOM 613 CA TYR A 44 7.444 4.781 0.030 1.00 0.00 C ATOM 614 C TYR A 44 6.903 3.819 1.084 1.00 0.00 C ATOM 615 O TYR A 44 7.574 2.863 1.471 1.00 0.00 O ATOM 616 CB TYR A 44 6.594 4.694 -1.239 1.00 0.00 C ATOM 617 CG TYR A 44 6.916 5.764 -2.257 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.307 7.012 -2.199 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.829 5.529 -3.278 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.597 7.993 -3.127 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.126 6.504 -4.210 1.00 0.00 C ATOM 622 CZ TYR A 44 7.507 7.734 -4.131 1.00 0.00 C ATOM 623 OH TYR A 44 7.800 8.709 -5.057 1.00 0.00 O ATOM 0 H TYR A 44 8.987 3.610 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 44 7.390 5.795 0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.737 3.715 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.541 4.768 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.594 7.218 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.315 4.567 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.114 8.957 -3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.839 6.304 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 44 8.460 8.366 -5.695 1.00 0.00 H new ATOM 633 N SER A 45 5.684 4.081 1.545 1.00 0.00 N ATOM 634 CA SER A 45 5.052 3.242 2.556 1.00 0.00 C ATOM 635 C SER A 45 3.532 3.317 2.452 1.00 0.00 C ATOM 636 O SER A 45 2.952 4.403 2.431 1.00 0.00 O ATOM 637 CB SER A 45 5.501 3.669 3.955 1.00 0.00 C ATOM 638 OG SER A 45 4.639 3.143 4.950 1.00 0.00 O ATOM 0 H SER A 45 5.114 4.868 1.234 1.00 0.00 H new ATOM 0 HA SER A 45 5.360 2.211 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.520 3.326 4.134 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.515 4.757 4.020 1.00 0.00 H new ATOM 0 HG SER A 45 5.098 3.146 5.816 1.00 0.00 H new ATOM 644 N VAL A 46 2.891 2.154 2.388 1.00 0.00 N ATOM 645 CA VAL A 46 1.439 2.086 2.288 1.00 0.00 C ATOM 646 C VAL A 46 0.821 1.586 3.588 1.00 0.00 C ATOM 647 O VAL A 46 1.102 0.473 4.032 1.00 0.00 O ATOM 648 CB VAL A 46 0.998 1.164 1.135 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.517 1.033 1.105 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.523 1.686 -0.194 1.00 0.00 C ATOM 0 H VAL A 46 3.355 1.246 2.404 1.00 0.00 H new ATOM 0 HA VAL A 46 1.088 3.099 2.088 1.00 0.00 H new ATOM 0 HB VAL A 46 1.420 0.173 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.809 0.378 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.864 0.610 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.964 2.017 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.202 1.023 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.131 2.688 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.612 1.722 -0.166 1.00 0.00 H new ATOM 660 N GLU A 47 -0.023 2.415 4.194 1.00 0.00 N ATOM 661 CA GLU A 47 -0.681 2.056 5.445 1.00 0.00 C ATOM 662 C GLU A 47 -2.173 1.819 5.227 1.00 0.00 C ATOM 663 O GLU A 47 -2.952 2.764 5.112 1.00 0.00 O ATOM 664 CB GLU A 47 -0.476 3.156 6.489 1.00 0.00 C ATOM 665 CG GLU A 47 -0.986 2.785 7.872 1.00 0.00 C ATOM 666 CD GLU A 47 -0.883 3.932 8.858 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.402 5.026 8.551 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.284 3.736 9.936 1.00 0.00 O ATOM 0 H GLU A 47 -0.267 3.340 3.839 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.233 1.131 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.586 3.391 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.983 4.061 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.026 2.466 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.418 1.935 8.249 1.00 0.00 H new ATOM 675 N MET A 48 -2.562 0.549 5.169 1.00 0.00 N ATOM 676 CA MET A 48 -3.960 0.187 4.965 1.00 0.00 C ATOM 677 C MET A 48 -4.676 0.011 6.300 1.00 0.00 C ATOM 678 O MET A 48 -4.075 -0.416 7.286 1.00 0.00 O ATOM 679 CB MET A 48 -4.061 -1.100 4.145 1.00 0.00 C ATOM 680 CG MET A 48 -5.475 -1.648 4.046 1.00 0.00 C ATOM 681 SD MET A 48 -5.511 -3.418 3.705 1.00 0.00 S ATOM 682 CE MET A 48 -5.190 -4.085 5.336 1.00 0.00 C ATOM 0 H MET A 48 -1.929 -0.246 5.260 1.00 0.00 H new ATOM 0 HA MET A 48 -4.443 0.996 4.418 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.682 -0.912 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.417 -1.857 4.592 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.003 -1.451 4.979 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.011 -1.119 3.258 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.533 -4.951 5.252 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.711 -3.324 5.952 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.130 -4.386 5.798 1.00 0.00 H new ATOM 692 N SER A 49 -5.963 0.341 6.325 1.00 0.00 N ATOM 693 CA SER A 49 -6.760 0.222 7.540 1.00 0.00 C ATOM 694 C SER A 49 -8.216 -0.089 7.207 1.00 0.00 C ATOM 695 O SER A 49 -8.824 0.524 6.330 1.00 0.00 O ATOM 696 CB SER A 49 -6.677 1.513 8.358 1.00 0.00 C ATOM 697 OG SER A 49 -7.861 1.719 9.108 1.00 0.00 O ATOM 0 H SER A 49 -6.476 0.693 5.517 1.00 0.00 H new ATOM 0 HA SER A 49 -6.357 -0.601 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.820 1.467 9.030 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.513 2.360 7.691 1.00 0.00 H new ATOM 0 HG SER A 49 -7.782 2.549 9.623 1.00 0.00 H new ATOM 703 N PRO A 50 -8.790 -1.067 7.924 1.00 0.00 N ATOM 704 CA PRO A 50 -10.181 -1.483 7.724 1.00 0.00 C ATOM 705 C PRO A 50 -11.175 -0.424 8.189 1.00 0.00 C ATOM 706 O PRO A 50 -11.362 -0.219 9.389 1.00 0.00 O ATOM 707 CB PRO A 50 -10.301 -2.743 8.584 1.00 0.00 C ATOM 708 CG PRO A 50 -9.258 -2.586 9.636 1.00 0.00 C ATOM 709 CD PRO A 50 -8.125 -1.840 8.986 1.00 0.00 C ATOM 0 HA PRO A 50 -10.411 -1.646 6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.295 -2.830 9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.134 -3.643 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.647 -2.036 10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.926 -3.557 10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.613 -1.190 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.377 -2.520 8.579 1.00 0.00 H new ATOM 717 N ILE A 51 -11.811 0.244 7.233 1.00 0.00 N ATOM 718 CA ILE A 51 -12.787 1.281 7.545 1.00 0.00 C ATOM 719 C ILE A 51 -13.621 0.900 8.764 1.00 0.00 C ATOM 720 O ILE A 51 -13.958 1.751 9.587 1.00 0.00 O ATOM 721 CB ILE A 51 -13.728 1.545 6.355 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.998 2.256 6.828 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.075 0.240 5.654 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.606 3.165 5.784 1.00 0.00 C ATOM 0 H ILE A 51 -11.668 0.086 6.236 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.225 2.190 7.761 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.216 2.192 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.735 1.509 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.767 2.842 7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.741 0.443 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.162 -0.230 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.571 -0.430 6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.502 3.635 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.886 3.935 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.869 2.581 4.902 1.00 0.00 H new ATOM 736 N GLU A 52 -13.950 -0.383 8.872 1.00 0.00 N ATOM 737 CA GLU A 52 -14.744 -0.876 9.991 1.00 0.00 C ATOM 738 C GLU A 52 -14.108 -0.487 11.323 1.00 0.00 C ATOM 739 O GLU A 52 -14.788 -0.023 12.238 1.00 0.00 O ATOM 740 CB GLU A 52 -14.893 -2.397 9.910 1.00 0.00 C ATOM 741 CG GLU A 52 -13.601 -3.117 9.559 1.00 0.00 C ATOM 742 CD GLU A 52 -13.743 -4.626 9.610 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.444 -5.127 10.514 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.152 -5.305 8.744 1.00 0.00 O ATOM 0 H GLU A 52 -13.679 -1.100 8.199 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.731 -0.418 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.258 -2.769 10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.649 -2.640 9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.283 -2.819 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.817 -2.806 10.249 1.00 0.00 H new ATOM 751 N LYS A 53 -12.797 -0.680 11.424 1.00 0.00 N ATOM 752 CA LYS A 53 -12.066 -0.350 12.642 1.00 0.00 C ATOM 753 C LYS A 53 -10.734 0.317 12.313 1.00 0.00 C ATOM 754 O LYS A 53 -10.045 -0.081 11.374 1.00 0.00 O ATOM 755 CB LYS A 53 -11.826 -1.611 13.475 1.00 0.00 C ATOM 756 CG LYS A 53 -11.725 -2.879 12.644 1.00 0.00 C ATOM 757 CD LYS A 53 -11.277 -4.062 13.485 1.00 0.00 C ATOM 758 CE LYS A 53 -9.760 -4.141 13.573 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.313 -5.263 14.443 1.00 0.00 N ATOM 0 H LYS A 53 -12.219 -1.064 10.676 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.669 0.350 13.220 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.907 -1.488 14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.638 -1.721 14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.693 -3.098 12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.020 -2.725 11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.697 -3.977 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.666 -4.984 13.054 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.344 -4.269 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.369 -3.201 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.369 -5.581 14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.272 -4.941 15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.985 -6.053 14.364 1.00 0.00 H new ATOM 773 N ASP A 54 -10.377 1.331 13.094 1.00 0.00 N ATOM 774 CA ASP A 54 -9.126 2.051 12.887 1.00 0.00 C ATOM 775 C ASP A 54 -7.931 1.192 13.291 1.00 0.00 C ATOM 776 O ASP A 54 -7.469 1.251 14.430 1.00 0.00 O ATOM 777 CB ASP A 54 -9.125 3.355 13.686 1.00 0.00 C ATOM 778 CG ASP A 54 -8.061 4.325 13.210 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.433 4.050 12.167 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.857 5.358 13.882 1.00 0.00 O ATOM 0 H ASP A 54 -10.936 1.673 13.876 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.041 2.284 11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.104 3.827 13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.963 3.131 14.740 1.00 0.00 H new ATOM 785 N GLU A 55 -7.438 0.394 12.349 1.00 0.00 N ATOM 786 CA GLU A 55 -6.299 -0.479 12.608 1.00 0.00 C ATOM 787 C GLU A 55 -5.255 -0.354 11.502 1.00 0.00 C ATOM 788 O GLU A 55 -4.998 -1.293 10.748 1.00 0.00 O ATOM 789 CB GLU A 55 -6.759 -1.933 12.729 1.00 0.00 C ATOM 790 CG GLU A 55 -5.648 -2.892 13.124 1.00 0.00 C ATOM 791 CD GLU A 55 -6.177 -4.206 13.664 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.806 -4.956 12.889 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.962 -4.485 14.862 1.00 0.00 O ATOM 0 H GLU A 55 -7.809 0.334 11.401 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.844 -0.170 13.549 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.558 -1.992 13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.181 -2.252 11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.017 -3.087 12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.017 -2.421 13.878 1.00 0.00 H new ATOM 800 N PRO A 56 -4.639 0.833 11.402 1.00 0.00 N ATOM 801 CA PRO A 56 -3.614 1.110 10.391 1.00 0.00 C ATOM 802 C PRO A 56 -2.318 0.350 10.656 1.00 0.00 C ATOM 803 O PRO A 56 -1.916 0.173 11.806 1.00 0.00 O ATOM 804 CB PRO A 56 -3.385 2.618 10.521 1.00 0.00 C ATOM 805 CG PRO A 56 -3.777 2.941 11.922 1.00 0.00 C ATOM 806 CD PRO A 56 -4.896 1.997 12.267 1.00 0.00 C ATOM 0 HA PRO A 56 -3.929 0.797 9.395 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.344 2.878 10.331 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.988 3.173 9.803 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.935 2.813 12.602 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.101 3.978 12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.881 1.725 13.322 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.872 2.440 12.066 1.00 0.00 H new ATOM 814 N ARG A 57 -1.670 -0.097 9.586 1.00 0.00 N ATOM 815 CA ARG A 57 -0.420 -0.838 9.704 1.00 0.00 C ATOM 816 C ARG A 57 0.343 -0.831 8.382 1.00 0.00 C ATOM 817 O ARG A 57 -0.247 -0.668 7.315 1.00 0.00 O ATOM 818 CB ARG A 57 -0.696 -2.279 10.137 1.00 0.00 C ATOM 819 CG ARG A 57 -1.049 -3.205 8.985 1.00 0.00 C ATOM 820 CD ARG A 57 -2.434 -2.904 8.432 1.00 0.00 C ATOM 821 NE ARG A 57 -3.473 -3.673 9.112 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.689 -4.967 8.898 1.00 0.00 C ATOM 823 NH1 ARG A 57 -2.941 -5.632 8.028 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.654 -5.597 9.554 1.00 0.00 N ATOM 0 H ARG A 57 -1.990 0.041 8.627 1.00 0.00 H new ATOM 0 HA ARG A 57 0.193 -0.349 10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.183 -2.670 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.513 -2.282 10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.309 -3.099 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.008 -4.240 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.643 -1.839 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.456 -3.129 7.366 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.065 -3.191 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.198 -5.151 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.109 -6.625 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.231 -5.089 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.819 -6.590 9.389 1.00 0.00 H new ATOM 838 N GLU A 58 1.658 -1.008 8.463 1.00 0.00 N ATOM 839 CA GLU A 58 2.501 -1.020 7.274 1.00 0.00 C ATOM 840 C GLU A 58 2.350 -2.334 6.513 1.00 0.00 C ATOM 841 O GLU A 58 2.918 -3.356 6.898 1.00 0.00 O ATOM 842 CB GLU A 58 3.967 -0.807 7.658 1.00 0.00 C ATOM 843 CG GLU A 58 4.938 -1.055 6.517 1.00 0.00 C ATOM 844 CD GLU A 58 6.383 -1.084 6.975 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.792 -0.156 7.703 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.104 -2.035 6.607 1.00 0.00 O ATOM 0 H GLU A 58 2.162 -1.145 9.339 1.00 0.00 H new ATOM 0 HA GLU A 58 2.180 -0.205 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.095 0.214 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.217 -1.470 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.694 -2.003 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.815 -0.276 5.765 1.00 0.00 H new ATOM 853 N VAL A 59 1.579 -2.299 5.431 1.00 0.00 N ATOM 854 CA VAL A 59 1.352 -3.485 4.615 1.00 0.00 C ATOM 855 C VAL A 59 2.351 -3.562 3.466 1.00 0.00 C ATOM 856 O VAL A 59 2.446 -4.578 2.778 1.00 0.00 O ATOM 857 CB VAL A 59 -0.077 -3.507 4.040 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.104 -3.526 5.162 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.300 -2.313 3.123 1.00 0.00 C ATOM 0 H VAL A 59 1.101 -1.461 5.099 1.00 0.00 H new ATOM 0 HA VAL A 59 1.486 -4.347 5.268 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.200 -4.417 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.107 -3.541 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.956 -4.415 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.985 -2.635 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.314 -2.344 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.159 -1.390 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.414 -2.348 2.300 1.00 0.00 H new ATOM 869 N TYR A 60 3.095 -2.480 3.264 1.00 0.00 N ATOM 870 CA TYR A 60 4.087 -2.423 2.197 1.00 0.00 C ATOM 871 C TYR A 60 5.107 -1.320 2.460 1.00 0.00 C ATOM 872 O TYR A 60 4.809 -0.331 3.130 1.00 0.00 O ATOM 873 CB TYR A 60 3.403 -2.190 0.848 1.00 0.00 C ATOM 874 CG TYR A 60 4.369 -2.092 -0.311 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.798 -3.231 -0.981 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.853 -0.861 -0.736 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.680 -3.147 -2.041 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.734 -0.767 -1.795 1.00 0.00 C ATOM 879 CZ TYR A 60 6.145 -1.912 -2.444 1.00 0.00 C ATOM 880 OH TYR A 60 7.024 -1.823 -3.499 1.00 0.00 O ATOM 0 H TYR A 60 3.030 -1.631 3.825 1.00 0.00 H new ATOM 0 HA TYR A 60 4.611 -3.378 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.703 -3.004 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.817 -1.272 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.436 -4.199 -0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.535 0.038 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.003 -4.042 -2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.099 0.198 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 60 6.860 -2.560 -4.124 1.00 0.00 H new ATOM 890 N GLN A 61 6.312 -1.497 1.926 1.00 0.00 N ATOM 891 CA GLN A 61 7.377 -0.517 2.103 1.00 0.00 C ATOM 892 C GLN A 61 8.591 -0.874 1.251 1.00 0.00 C ATOM 893 O GLN A 61 9.249 -1.887 1.484 1.00 0.00 O ATOM 894 CB GLN A 61 7.780 -0.430 3.576 1.00 0.00 C ATOM 895 CG GLN A 61 8.663 0.765 3.895 1.00 0.00 C ATOM 896 CD GLN A 61 8.911 0.926 5.382 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.734 0.219 5.966 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.200 1.859 6.004 1.00 0.00 N ATOM 0 H GLN A 61 6.574 -2.309 1.368 1.00 0.00 H new ATOM 0 HA GLN A 61 7.001 0.454 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.880 -0.380 4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.305 -1.344 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.618 0.654 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.196 1.671 3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.529 2.422 5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.325 2.013 7.005 1.00 0.00 H new ATOM 907 N GLY A 62 8.882 -0.033 0.263 1.00 0.00 N ATOM 908 CA GLY A 62 10.016 -0.278 -0.609 1.00 0.00 C ATOM 909 C GLY A 62 10.386 0.939 -1.435 1.00 0.00 C ATOM 910 O GLY A 62 10.431 2.056 -0.920 1.00 0.00 O ATOM 0 H GLY A 62 8.353 0.813 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.874 -0.580 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.785 -1.109 -1.275 1.00 0.00 H new ATOM 914 N SER A 63 10.652 0.722 -2.719 1.00 0.00 N ATOM 915 CA SER A 63 11.024 1.809 -3.616 1.00 0.00 C ATOM 916 C SER A 63 10.054 1.901 -4.790 1.00 0.00 C ATOM 917 O SER A 63 9.973 2.929 -5.462 1.00 0.00 O ATOM 918 CB SER A 63 12.450 1.605 -4.133 1.00 0.00 C ATOM 919 OG SER A 63 12.608 0.316 -4.701 1.00 0.00 O ATOM 0 H SER A 63 10.617 -0.197 -3.161 1.00 0.00 H new ATOM 0 HA SER A 63 10.978 2.742 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.682 2.365 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.159 1.735 -3.315 1.00 0.00 H new ATOM 0 HG SER A 63 13.527 0.212 -5.025 1.00 0.00 H new ATOM 925 N GLU A 64 9.321 0.818 -5.030 1.00 0.00 N ATOM 926 CA GLU A 64 8.357 0.776 -6.124 1.00 0.00 C ATOM 927 C GLU A 64 7.092 1.551 -5.763 1.00 0.00 C ATOM 928 O GLU A 64 6.929 2.002 -4.630 1.00 0.00 O ATOM 929 CB GLU A 64 8.002 -0.672 -6.465 1.00 0.00 C ATOM 930 CG GLU A 64 8.921 -1.297 -7.501 1.00 0.00 C ATOM 931 CD GLU A 64 8.236 -2.381 -8.310 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.078 -2.169 -8.727 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.859 -3.442 -8.526 1.00 0.00 O ATOM 0 H GLU A 64 9.376 -0.041 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 64 8.814 1.245 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.036 -1.270 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.976 -0.709 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.284 -0.521 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.793 -1.718 -7.001 1.00 0.00 H new ATOM 940 N VAL A 65 6.200 1.701 -6.737 1.00 0.00 N ATOM 941 CA VAL A 65 4.950 2.420 -6.524 1.00 0.00 C ATOM 942 C VAL A 65 3.748 1.509 -6.746 1.00 0.00 C ATOM 943 O VAL A 65 2.650 1.976 -7.049 1.00 0.00 O ATOM 944 CB VAL A 65 4.836 3.638 -7.460 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.046 4.547 -7.302 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.682 3.187 -8.904 1.00 0.00 C ATOM 0 H VAL A 65 6.320 1.334 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 65 4.956 2.765 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 65 3.947 4.205 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.948 5.402 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.106 4.897 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.952 3.994 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.603 4.060 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.551 2.597 -9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.782 2.580 -9.002 1.00 0.00 H new ATOM 956 N GLU A 66 3.963 0.206 -6.591 1.00 0.00 N ATOM 957 CA GLU A 66 2.896 -0.770 -6.775 1.00 0.00 C ATOM 958 C GLU A 66 3.169 -2.034 -5.964 1.00 0.00 C ATOM 959 O GLU A 66 4.275 -2.575 -5.992 1.00 0.00 O ATOM 960 CB GLU A 66 2.748 -1.125 -8.256 1.00 0.00 C ATOM 961 CG GLU A 66 4.019 -1.676 -8.880 1.00 0.00 C ATOM 962 CD GLU A 66 3.757 -2.422 -10.174 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.131 -3.501 -10.121 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.179 -1.927 -11.240 1.00 0.00 O ATOM 0 H GLU A 66 4.865 -0.197 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 66 1.967 -0.324 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.951 -1.860 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.440 -0.235 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.711 -0.856 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.507 -2.345 -8.171 1.00 0.00 H new ATOM 971 N CYS A 67 2.154 -2.496 -5.242 1.00 0.00 N ATOM 972 CA CYS A 67 2.284 -3.695 -4.421 1.00 0.00 C ATOM 973 C CYS A 67 0.971 -4.469 -4.377 1.00 0.00 C ATOM 974 O CYS A 67 -0.013 -4.081 -5.007 1.00 0.00 O ATOM 975 CB CYS A 67 2.719 -3.322 -3.002 1.00 0.00 C ATOM 976 SG CYS A 67 1.367 -2.764 -1.939 1.00 0.00 S ATOM 0 H CYS A 67 1.233 -2.059 -5.208 1.00 0.00 H new ATOM 0 HA CYS A 67 3.045 -4.333 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.197 -4.186 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.471 -2.535 -3.059 1.00 0.00 H new ATOM 0 HG CYS A 67 1.016 -1.559 -2.279 1.00 0.00 H new ATOM 982 N THR A 68 0.962 -5.568 -3.629 1.00 0.00 N ATOM 983 CA THR A 68 -0.229 -6.399 -3.505 1.00 0.00 C ATOM 984 C THR A 68 -0.540 -6.698 -2.043 1.00 0.00 C ATOM 985 O THR A 68 0.286 -7.259 -1.324 1.00 0.00 O ATOM 986 CB THR A 68 -0.068 -7.728 -4.266 1.00 0.00 C ATOM 987 OG1 THR A 68 0.198 -7.471 -5.649 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.322 -8.581 -4.136 1.00 0.00 C ATOM 0 H THR A 68 1.767 -5.903 -3.100 1.00 0.00 H new ATOM 0 HA THR A 68 -1.054 -5.837 -3.942 1.00 0.00 H new ATOM 0 HB THR A 68 0.770 -8.272 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.301 -8.321 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.185 -9.515 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.506 -8.799 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.174 -8.041 -4.549 1.00 0.00 H new ATOM 996 N VAL A 69 -1.739 -6.320 -1.608 1.00 0.00 N ATOM 997 CA VAL A 69 -2.160 -6.550 -0.232 1.00 0.00 C ATOM 998 C VAL A 69 -2.864 -7.895 -0.090 1.00 0.00 C ATOM 999 O VAL A 69 -3.449 -8.405 -1.045 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.103 -5.436 0.260 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.284 -5.517 1.768 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.571 -4.070 -0.149 1.00 0.00 C ATOM 0 H VAL A 69 -2.435 -5.853 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.258 -6.549 0.379 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.078 -5.576 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.953 -4.722 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.712 -6.484 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.317 -5.403 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.249 -3.294 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.584 -3.918 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.498 -4.018 -1.235 1.00 0.00 H new ATOM 1012 N SER A 70 -2.803 -8.465 1.109 1.00 0.00 N ATOM 1013 CA SER A 70 -3.432 -9.753 1.376 1.00 0.00 C ATOM 1014 C SER A 70 -3.853 -9.860 2.839 1.00 0.00 C ATOM 1015 O SER A 70 -3.639 -8.938 3.627 1.00 0.00 O ATOM 1016 CB SER A 70 -2.476 -10.894 1.025 1.00 0.00 C ATOM 1017 OG SER A 70 -1.538 -11.113 2.064 1.00 0.00 O ATOM 0 H SER A 70 -2.324 -8.055 1.911 1.00 0.00 H new ATOM 0 HA SER A 70 -4.323 -9.830 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.045 -11.807 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.950 -10.660 0.100 1.00 0.00 H new ATOM 0 HG SER A 70 -0.940 -11.848 1.815 1.00 0.00 H new ATOM 1023 N SER A 71 -4.453 -10.991 3.195 1.00 0.00 N ATOM 1024 CA SER A 71 -4.907 -11.218 4.562 1.00 0.00 C ATOM 1025 C SER A 71 -6.086 -10.311 4.900 1.00 0.00 C ATOM 1026 O SER A 71 -6.257 -9.896 6.047 1.00 0.00 O ATOM 1027 CB SER A 71 -3.764 -10.977 5.549 1.00 0.00 C ATOM 1028 OG SER A 71 -3.985 -11.670 6.765 1.00 0.00 O ATOM 0 H SER A 71 -4.636 -11.765 2.556 1.00 0.00 H new ATOM 0 HA SER A 71 -5.233 -12.255 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.823 -11.303 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.670 -9.909 5.747 1.00 0.00 H new ATOM 0 HG SER A 71 -4.872 -11.443 7.115 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.898 -10.007 3.893 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.062 -9.148 4.081 1.00 0.00 C ATOM 1036 C LEU A 72 -9.352 -9.962 4.038 1.00 0.00 C ATOM 1037 O LEU A 72 -9.338 -11.150 3.714 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.097 -8.059 3.008 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.738 -7.557 2.517 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.903 -6.709 1.266 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.035 -6.767 3.611 1.00 0.00 C ATOM 0 H LEU A 72 -6.772 -10.343 2.938 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.982 -8.680 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.653 -8.439 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.656 -7.209 3.399 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.121 -8.420 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.926 -6.361 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.364 -7.306 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.537 -5.851 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.070 -6.418 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.648 -5.911 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.883 -7.406 4.481 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.465 -9.315 4.364 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.764 -9.978 4.360 1.00 0.00 C ATOM 1055 C LEU A 73 -12.578 -9.574 3.134 1.00 0.00 C ATOM 1056 O LEU A 73 -12.646 -8.402 2.762 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.537 -9.636 5.635 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.840 -9.973 6.953 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.578 -9.343 8.124 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.741 -11.481 7.133 1.00 0.00 C ATOM 0 H LEU A 73 -10.494 -8.332 4.634 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.595 -11.054 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.758 -8.569 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.493 -10.160 5.608 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.831 -9.563 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.067 -9.594 9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.598 -8.260 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.599 -9.723 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.242 -11.703 8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.742 -11.913 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.168 -11.909 6.310 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.213 -10.565 2.492 1.00 0.00 N ATOM 1073 CA PRO A 74 -14.036 -10.337 1.301 1.00 0.00 C ATOM 1074 C PRO A 74 -15.325 -9.587 1.621 1.00 0.00 C ATOM 1075 O PRO A 74 -15.800 -9.608 2.756 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.349 -11.753 0.809 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.247 -12.607 2.026 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.177 -11.985 2.880 1.00 0.00 C ATOM 0 HA PRO A 74 -13.523 -9.719 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.345 -11.808 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.643 -12.071 0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.198 -12.644 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.989 -13.633 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.384 -12.117 3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.200 -12.429 2.688 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.886 -8.926 0.613 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.115 -8.180 0.809 1.00 0.00 C ATOM 1088 C GLY A 75 -16.982 -7.113 1.878 1.00 0.00 C ATOM 1089 O GLY A 75 -17.975 -6.688 2.468 1.00 0.00 O ATOM 0 H GLY A 75 -15.511 -8.894 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.407 -7.713 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.914 -8.868 1.085 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.751 -6.681 2.129 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.490 -5.657 3.134 1.00 0.00 C ATOM 1095 C LYS A 76 -14.622 -4.541 2.562 1.00 0.00 C ATOM 1096 O LYS A 76 -13.720 -4.790 1.761 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.804 -6.276 4.355 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.709 -7.190 5.163 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.604 -6.400 6.103 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.933 -6.168 7.448 1.00 0.00 C ATOM 1101 NZ LYS A 76 -15.739 -7.440 8.197 1.00 0.00 N ATOM 0 H LYS A 76 -14.918 -7.024 1.650 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.446 -5.230 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.933 -6.841 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.439 -5.477 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.324 -7.784 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.102 -7.888 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.853 -5.441 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.542 -6.936 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.967 -5.686 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.539 -5.485 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.689 -7.239 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.538 -8.079 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.854 -7.892 7.890 1.00 0.00 H new ATOM 1115 N THR A 77 -14.899 -3.309 2.979 1.00 0.00 N ATOM 1116 CA THR A 77 -14.144 -2.155 2.508 1.00 0.00 C ATOM 1117 C THR A 77 -12.910 -1.916 3.371 1.00 0.00 C ATOM 1118 O THR A 77 -12.855 -2.344 4.524 1.00 0.00 O ATOM 1119 CB THR A 77 -15.009 -0.881 2.505 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.144 -1.061 1.650 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.202 0.320 2.037 1.00 0.00 C ATOM 0 H THR A 77 -15.641 -3.085 3.642 1.00 0.00 H new ATOM 0 HA THR A 77 -13.833 -2.376 1.487 1.00 0.00 H new ATOM 0 HB THR A 77 -15.348 -0.697 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.690 -0.247 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.834 1.208 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.355 0.473 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.837 0.141 1.025 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.923 -1.229 2.806 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.689 -0.935 3.524 1.00 0.00 C ATOM 1131 C TYR A 78 -10.098 0.396 3.068 1.00 0.00 C ATOM 1132 O TYR A 78 -9.952 0.646 1.871 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.671 -2.057 3.313 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.962 -3.299 4.123 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -11.032 -4.126 3.804 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.167 -3.647 5.208 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.302 -5.262 4.542 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.429 -4.781 5.952 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.498 -5.585 5.615 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.763 -6.717 6.352 1.00 0.00 O ATOM 0 H TYR A 78 -11.954 -0.866 1.853 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.925 -0.863 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.647 -2.320 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.678 -1.689 3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.664 -3.876 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.329 -3.020 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.138 -5.894 4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.801 -5.037 6.792 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.103 -6.801 7.071 1.00 0.00 H new ATOM 1150 N SER A 79 -9.759 1.247 4.031 1.00 0.00 N ATOM 1151 CA SER A 79 -9.186 2.554 3.731 1.00 0.00 C ATOM 1152 C SER A 79 -7.669 2.464 3.597 1.00 0.00 C ATOM 1153 O SER A 79 -6.963 2.202 4.571 1.00 0.00 O ATOM 1154 CB SER A 79 -9.555 3.559 4.823 1.00 0.00 C ATOM 1155 OG SER A 79 -8.583 3.572 5.854 1.00 0.00 O ATOM 0 H SER A 79 -9.871 1.055 5.026 1.00 0.00 H new ATOM 0 HA SER A 79 -9.597 2.894 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.643 4.555 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.529 3.305 5.241 1.00 0.00 H new ATOM 0 HG SER A 79 -8.046 2.754 5.807 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.175 2.684 2.383 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.741 2.628 2.120 1.00 0.00 C ATOM 1163 C PHE A 80 -5.142 4.030 2.073 1.00 0.00 C ATOM 1164 O PHE A 80 -5.844 5.009 1.818 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.472 1.901 0.801 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.812 0.439 0.842 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.122 0.014 0.687 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.822 -0.512 1.035 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.438 -1.331 0.726 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.132 -1.858 1.074 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.441 -2.268 0.918 1.00 0.00 C ATOM 0 H PHE A 80 -7.746 2.903 1.566 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.268 2.078 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.049 2.378 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.419 2.014 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.905 0.742 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.796 -0.197 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.463 -1.649 0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.351 -2.588 1.226 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.685 -3.320 0.946 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.839 4.119 2.321 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.144 5.401 2.309 1.00 0.00 C ATOM 1183 C ARG A 81 -1.759 5.262 1.685 1.00 0.00 C ATOM 1184 O ARG A 81 -1.323 4.159 1.352 1.00 0.00 O ATOM 1185 CB ARG A 81 -3.023 5.953 3.730 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.223 6.776 4.168 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.450 6.676 5.669 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.421 7.383 6.427 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.605 7.850 7.657 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.772 7.684 8.265 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.621 8.484 8.281 1.00 0.00 N ATOM 0 H ARG A 81 -3.243 3.318 2.533 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.727 6.097 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.890 5.122 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.127 6.570 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.071 7.819 3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.113 6.433 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.429 7.087 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.461 5.627 5.965 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.511 7.526 5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.531 7.197 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.911 8.043 9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.722 8.613 7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.763 8.842 9.225 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.070 6.388 1.530 1.00 0.00 N ATOM 1206 CA LEU A 82 0.266 6.393 0.946 1.00 0.00 C ATOM 1207 C LEU A 82 1.096 7.548 1.495 1.00 0.00 C ATOM 1208 O LEU A 82 0.578 8.640 1.732 1.00 0.00 O ATOM 1209 CB LEU A 82 0.178 6.492 -0.578 1.00 0.00 C ATOM 1210 CG LEU A 82 1.506 6.662 -1.318 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.351 5.404 -1.192 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.262 6.998 -2.781 1.00 0.00 C ATOM 0 H LEU A 82 -1.415 7.309 1.801 1.00 0.00 H new ATOM 0 HA LEU A 82 0.757 5.458 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.311 5.593 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.466 7.334 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 82 2.051 7.489 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.292 5.543 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.555 5.207 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.812 4.559 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.218 7.115 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.697 6.193 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.697 7.927 -2.852 1.00 0.00 H new ATOM 1224 N ARG A 83 2.387 7.301 1.694 1.00 0.00 N ATOM 1225 CA ARG A 83 3.289 8.322 2.214 1.00 0.00 C ATOM 1226 C ARG A 83 4.711 8.099 1.708 1.00 0.00 C ATOM 1227 O ARG A 83 5.214 6.976 1.714 1.00 0.00 O ATOM 1228 CB ARG A 83 3.273 8.315 3.744 1.00 0.00 C ATOM 1229 CG ARG A 83 4.033 7.148 4.355 1.00 0.00 C ATOM 1230 CD ARG A 83 4.174 7.304 5.861 1.00 0.00 C ATOM 1231 NE ARG A 83 4.532 6.045 6.510 1.00 0.00 N ATOM 1232 CZ ARG A 83 4.722 5.922 7.819 1.00 0.00 C ATOM 1233 NH1 ARG A 83 4.589 6.974 8.614 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.046 4.743 8.335 1.00 0.00 N ATOM 0 H ARG A 83 2.832 6.403 1.503 1.00 0.00 H new ATOM 0 HA ARG A 83 2.943 9.293 1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.703 9.248 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.239 8.285 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.513 6.216 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.021 7.078 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.935 8.053 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.236 7.673 6.277 1.00 0.00 H new ATOM 0 HE ARG A 83 4.642 5.216 5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.340 7.882 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.736 6.876 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.149 3.931 7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.192 4.649 9.340 1.00 0.00 H new ATOM 1248 N ALA A 84 5.354 9.177 1.271 1.00 0.00 N ATOM 1249 CA ALA A 84 6.718 9.100 0.763 1.00 0.00 C ATOM 1250 C ALA A 84 7.722 9.566 1.813 1.00 0.00 C ATOM 1251 O ALA A 84 7.388 10.352 2.699 1.00 0.00 O ATOM 1252 CB ALA A 84 6.857 9.928 -0.506 1.00 0.00 C ATOM 0 H ALA A 84 4.952 10.114 1.259 1.00 0.00 H new ATOM 0 HA ALA A 84 6.933 8.057 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.881 9.861 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.173 9.548 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.617 10.969 -0.289 1.00 0.00 H new ATOM 1258 N ALA A 85 8.952 9.074 1.708 1.00 0.00 N ATOM 1259 CA ALA A 85 10.004 9.441 2.647 1.00 0.00 C ATOM 1260 C ALA A 85 11.283 9.832 1.914 1.00 0.00 C ATOM 1261 O ALA A 85 11.601 9.277 0.863 1.00 0.00 O ATOM 1262 CB ALA A 85 10.275 8.295 3.611 1.00 0.00 C ATOM 0 H ALA A 85 9.244 8.420 0.982 1.00 0.00 H new ATOM 0 HA ALA A 85 9.663 10.306 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.063 8.583 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.366 8.065 4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.590 7.415 3.050 1.00 0.00 H new ATOM 1268 N ASN A 86 12.013 10.790 2.476 1.00 0.00 N ATOM 1269 CA ASN A 86 13.257 11.256 1.874 1.00 0.00 C ATOM 1270 C ASN A 86 14.348 11.408 2.930 1.00 0.00 C ATOM 1271 O ASN A 86 14.120 11.162 4.114 1.00 0.00 O ATOM 1272 CB ASN A 86 13.034 12.590 1.159 1.00 0.00 C ATOM 1273 CG ASN A 86 12.362 13.618 2.049 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.284 13.446 3.265 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.873 14.694 1.444 1.00 0.00 N ATOM 0 H ASN A 86 11.765 11.259 3.347 1.00 0.00 H new ATOM 0 HA ASN A 86 13.581 10.512 1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.993 12.981 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.422 12.426 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.410 15.420 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.961 14.795 0.433 1.00 0.00 H new ATOM 1282 N LYS A 87 15.534 11.816 2.492 1.00 0.00 N ATOM 1283 CA LYS A 87 16.661 12.004 3.398 1.00 0.00 C ATOM 1284 C LYS A 87 16.201 12.605 4.722 1.00 0.00 C ATOM 1285 O LYS A 87 16.833 12.402 5.758 1.00 0.00 O ATOM 1286 CB LYS A 87 17.714 12.909 2.754 1.00 0.00 C ATOM 1287 CG LYS A 87 17.143 14.195 2.181 1.00 0.00 C ATOM 1288 CD LYS A 87 18.235 15.212 1.896 1.00 0.00 C ATOM 1289 CE LYS A 87 17.675 16.460 1.231 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.492 17.666 1.538 1.00 0.00 N ATOM 0 H LYS A 87 15.740 12.023 1.515 1.00 0.00 H new ATOM 0 HA LYS A 87 17.102 11.027 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.471 13.157 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.217 12.359 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.600 13.975 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.424 14.619 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.730 15.486 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.992 14.764 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.639 16.311 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.650 16.621 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.078 18.495 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.506 17.823 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.464 17.523 1.196 1.00 0.00 H new ATOM 1304 N MET A 88 15.096 13.342 4.680 1.00 0.00 N ATOM 1305 CA MET A 88 14.551 13.970 5.878 1.00 0.00 C ATOM 1306 C MET A 88 13.748 12.966 6.700 1.00 0.00 C ATOM 1307 O MET A 88 14.109 12.645 7.831 1.00 0.00 O ATOM 1308 CB MET A 88 13.666 15.159 5.499 1.00 0.00 C ATOM 1309 CG MET A 88 14.371 16.187 4.628 1.00 0.00 C ATOM 1310 SD MET A 88 15.632 17.111 5.527 1.00 0.00 S ATOM 1311 CE MET A 88 17.095 16.157 5.133 1.00 0.00 C ATOM 0 H MET A 88 14.561 13.519 3.830 1.00 0.00 H new ATOM 0 HA MET A 88 15.385 14.325 6.483 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.784 14.792 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.315 15.645 6.409 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.832 15.683 3.778 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.635 16.882 4.225 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.718 16.062 6.023 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.801 15.166 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.658 16.662 4.348 1.00 0.00 H new ATOM 1321 N GLY A 89 12.656 12.473 6.122 1.00 0.00 N ATOM 1322 CA GLY A 89 11.820 11.511 6.816 1.00 0.00 C ATOM 1323 C GLY A 89 10.535 11.215 6.069 1.00 0.00 C ATOM 1324 O GLY A 89 10.411 11.527 4.884 1.00 0.00 O ATOM 0 H GLY A 89 12.336 12.723 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.377 10.585 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.580 11.892 7.809 1.00 0.00 H new ATOM 1328 N PHE A 90 9.576 10.610 6.761 1.00 0.00 N ATOM 1329 CA PHE A 90 8.294 10.268 6.155 1.00 0.00 C ATOM 1330 C PHE A 90 7.293 11.408 6.321 1.00 0.00 C ATOM 1331 O PHE A 90 7.133 11.955 7.411 1.00 0.00 O ATOM 1332 CB PHE A 90 7.735 8.989 6.781 1.00 0.00 C ATOM 1333 CG PHE A 90 8.347 7.734 6.227 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.551 7.258 6.721 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.718 7.030 5.213 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.116 6.104 6.212 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.278 5.875 4.700 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.479 5.411 5.202 1.00 0.00 C ATOM 0 H PHE A 90 9.662 10.346 7.743 1.00 0.00 H new ATOM 0 HA PHE A 90 8.457 10.102 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.899 9.019 7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.657 8.958 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.053 7.795 7.512 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.779 7.388 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.056 5.744 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.778 5.336 3.909 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.919 4.508 4.805 1.00 0.00 H new ATOM 1348 N GLY A 91 6.622 11.762 5.229 1.00 0.00 N ATOM 1349 CA GLY A 91 5.646 12.835 5.273 1.00 0.00 C ATOM 1350 C GLY A 91 4.252 12.338 5.602 1.00 0.00 C ATOM 1351 O GLY A 91 4.060 11.197 6.022 1.00 0.00 O ATOM 0 H GLY A 91 6.737 11.325 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.952 13.570 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.628 13.346 4.310 1.00 0.00 H new ATOM 1355 N PRO A 92 3.249 13.208 5.411 1.00 0.00 N ATOM 1356 CA PRO A 92 1.849 12.873 5.685 1.00 0.00 C ATOM 1357 C PRO A 92 1.290 11.861 4.692 1.00 0.00 C ATOM 1358 O PRO A 92 1.732 11.792 3.545 1.00 0.00 O ATOM 1359 CB PRO A 92 1.129 14.217 5.542 1.00 0.00 C ATOM 1360 CG PRO A 92 1.993 15.014 4.627 1.00 0.00 C ATOM 1361 CD PRO A 92 3.405 14.585 4.913 1.00 0.00 C ATOM 0 HA PRO A 92 1.725 12.409 6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.128 14.088 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.015 14.710 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.733 14.829 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.866 16.082 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.025 14.620 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.878 15.229 5.654 1.00 0.00 H new ATOM 1369 N PHE A 93 0.314 11.076 5.139 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.305 10.067 4.289 1.00 0.00 C ATOM 1371 C PHE A 93 -1.311 10.702 3.333 1.00 0.00 C ATOM 1372 O PHE A 93 -1.845 11.778 3.603 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.998 9.004 5.144 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.110 7.847 5.499 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.221 6.893 4.550 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.395 7.712 6.783 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.039 5.827 4.873 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.214 6.648 7.112 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.535 5.704 6.156 1.00 0.00 C ATOM 0 H PHE A 93 -0.064 11.120 6.085 1.00 0.00 H new ATOM 0 HA PHE A 93 0.481 9.594 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.361 9.467 6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.871 8.631 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.165 6.984 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.146 8.446 7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.290 5.091 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.602 6.555 8.115 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.173 4.871 6.412 1.00 0.00 H new ATOM 1389 N SER A 94 -1.564 10.029 2.216 1.00 0.00 N ATOM 1390 CA SER A 94 -2.503 10.529 1.218 1.00 0.00 C ATOM 1391 C SER A 94 -3.942 10.367 1.696 1.00 0.00 C ATOM 1392 O SER A 94 -4.188 9.961 2.831 1.00 0.00 O ATOM 1393 CB SER A 94 -2.309 9.793 -0.109 1.00 0.00 C ATOM 1394 OG SER A 94 -2.742 8.447 -0.014 1.00 0.00 O ATOM 0 H SER A 94 -1.132 9.136 1.979 1.00 0.00 H new ATOM 0 HA SER A 94 -2.305 11.591 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.865 10.303 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.257 9.821 -0.393 1.00 0.00 H new ATOM 0 HG SER A 94 -3.714 8.407 -0.130 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.890 10.689 0.821 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.305 10.581 1.155 1.00 0.00 C ATOM 1402 C GLU A 95 -6.722 9.119 1.290 1.00 0.00 C ATOM 1403 O GLU A 95 -6.486 8.308 0.394 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.158 11.268 0.086 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.889 12.758 -0.041 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.044 13.507 -0.678 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -9.133 13.547 -0.069 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.857 14.053 -1.785 1.00 0.00 O ATOM 0 H GLU A 95 -4.704 11.026 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.465 11.077 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.974 10.791 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.212 11.116 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.692 13.173 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.989 12.912 -0.636 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.342 8.789 2.418 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.792 7.426 2.674 1.00 0.00 C ATOM 1417 C LYS A 96 -8.768 6.965 1.596 1.00 0.00 C ATOM 1418 O LYS A 96 -9.920 7.398 1.561 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.457 7.336 4.049 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.333 8.531 4.381 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.478 8.145 5.303 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.688 7.665 4.517 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.944 7.772 5.311 1.00 0.00 N ATOM 0 H LYS A 96 -7.544 9.448 3.170 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.920 6.772 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.062 6.430 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.684 7.240 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.729 9.305 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.733 8.956 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.150 7.359 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.757 9.002 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.784 8.253 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.537 6.629 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.745 7.435 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.862 7.191 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.102 8.765 5.578 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.299 6.084 0.718 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.131 5.563 -0.361 1.00 0.00 C ATOM 1439 C CYS A 97 -9.806 4.260 0.054 1.00 0.00 C ATOM 1440 O CYS A 97 -9.138 3.276 0.370 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.290 5.339 -1.618 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.244 4.812 -3.061 1.00 0.00 S ATOM 0 H CYS A 97 -7.348 5.716 0.732 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.906 6.299 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.765 6.263 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.530 4.588 -1.404 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.445 4.651 -4.074 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.135 4.262 0.052 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.901 3.079 0.428 1.00 0.00 C ATOM 1450 C ASP A 98 -11.985 2.094 -0.733 1.00 0.00 C ATOM 1451 O ASP A 98 -12.436 2.442 -1.825 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.308 3.479 0.877 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.297 3.504 -0.272 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.909 2.452 -0.550 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.457 4.575 -0.894 1.00 0.00 O ATOM 0 H ASP A 98 -11.704 5.069 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.388 2.592 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.656 2.780 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.271 4.464 1.343 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.547 0.863 -0.490 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.573 -0.173 -1.516 1.00 0.00 C ATOM 1462 C ILE A 99 -12.352 -1.395 -1.043 1.00 0.00 C ATOM 1463 O ILE A 99 -12.001 -2.021 -0.042 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.150 -0.607 -1.914 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.461 0.499 -2.717 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.195 -1.900 -2.713 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.012 0.204 -3.032 1.00 0.00 C ATOM 0 H ILE A 99 -11.170 0.559 0.408 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.069 0.257 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.573 -0.784 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.003 0.651 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.520 1.433 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.182 -2.194 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.650 -2.685 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.786 -1.749 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.588 1.030 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.455 0.081 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.946 -0.713 -3.618 1.00 0.00 H new ATOM 1479 N THR A 100 -13.412 -1.733 -1.771 1.00 0.00 N ATOM 1480 CA THR A 100 -14.240 -2.882 -1.427 1.00 0.00 C ATOM 1481 C THR A 100 -13.743 -4.146 -2.119 1.00 0.00 C ATOM 1482 O THR A 100 -13.692 -4.215 -3.348 1.00 0.00 O ATOM 1483 CB THR A 100 -15.714 -2.646 -1.811 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.158 -1.385 -1.298 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.598 -3.759 -1.270 1.00 0.00 C ATOM 0 H THR A 100 -13.717 -1.227 -2.603 1.00 0.00 H new ATOM 0 HA THR A 100 -14.169 -3.011 -0.347 1.00 0.00 H new ATOM 0 HB THR A 100 -15.787 -2.641 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.111 -1.395 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.634 -3.571 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.276 -4.714 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.519 -3.791 -0.183 1.00 0.00 H new ATOM 1493 N THR A 101 -13.377 -5.146 -1.323 1.00 0.00 N ATOM 1494 CA THR A 101 -12.883 -6.408 -1.859 1.00 0.00 C ATOM 1495 C THR A 101 -13.988 -7.166 -2.587 1.00 0.00 C ATOM 1496 O THR A 101 -15.139 -6.731 -2.614 1.00 0.00 O ATOM 1497 CB THR A 101 -12.309 -7.304 -0.746 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.287 -7.497 0.282 1.00 0.00 O ATOM 1499 CG2 THR A 101 -11.053 -6.688 -0.149 1.00 0.00 C ATOM 0 H THR A 101 -13.414 -5.106 -0.304 1.00 0.00 H new ATOM 0 HA THR A 101 -12.089 -6.163 -2.564 1.00 0.00 H new ATOM 0 HB THR A 101 -12.049 -8.268 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.837 -7.720 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.666 -7.339 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.300 -6.571 -0.928 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.292 -5.713 0.275 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.630 -8.302 -3.176 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.592 -9.122 -3.902 1.00 0.00 C ATOM 1509 C ALA A 102 -15.453 -9.937 -2.943 1.00 0.00 C ATOM 1510 O ALA A 102 -15.028 -10.301 -1.846 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.872 -10.040 -4.879 1.00 0.00 C ATOM 0 H ALA A 102 -12.681 -8.675 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.249 -8.457 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.603 -10.647 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.306 -9.440 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.191 -10.692 -4.332 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.692 -10.232 -3.364 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.638 -11.008 -2.556 1.00 0.00 C ATOM 1519 C PRO A 103 -17.228 -12.471 -2.429 1.00 0.00 C ATOM 1520 O PRO A 103 -17.941 -13.276 -1.831 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.951 -10.886 -3.335 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.534 -10.631 -4.742 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.264 -9.831 -4.660 1.00 0.00 C ATOM 0 HA PRO A 103 -17.698 -10.640 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.544 -11.797 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.565 -10.072 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.372 -11.567 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.305 -10.084 -5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.590 -10.061 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.461 -8.760 -4.698 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.073 -12.809 -2.994 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.588 -14.175 -2.932 1.00 0.00 C ATOM 1533 C GLY A 104 -16.082 -15.019 -4.089 1.00 0.00 C ATOM 1534 O GLY A 104 -16.913 -15.908 -3.908 1.00 0.00 O ATOM 0 H GLY A 104 -15.464 -12.161 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.498 -14.170 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.907 -14.628 -1.994 1.00 0.00 H new