USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 886 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 26 THR OG1 : rot -89:sc= 0.324 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 9 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.16) USER MOD Set 2.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 111:sc= 0.0135 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 22 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.72 K(o=-1.7,f=-11!) USER MOD Single : A 45 TYR OH : rot -84:sc= 0.0675 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 123:sc= 0.627 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= -0.0942 (180deg=-0.205) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.3) USER MOD Single : A 75 GLN : amide:sc=-0.00501 X(o=-0.005,f=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.797 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 91 MET CE :methyl -175:sc= -9.18! (180deg=-9.78!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.6!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 TYR OH : rot 150:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 0.358 -12.913 -2.071 1.00 0.00 N ATOM 67 CA GLY A 8 -0.489 -13.251 -0.940 1.00 0.00 C ATOM 68 C GLY A 8 -1.724 -12.349 -0.891 1.00 0.00 C ATOM 69 O GLY A 8 -2.409 -12.173 -1.897 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.798 -14.294 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.077 -13.149 -0.014 1.00 0.00 H new ATOM 73 N GLN A 9 -1.972 -11.802 0.290 1.00 0.00 N ATOM 74 CA GLN A 9 -3.112 -10.923 0.484 1.00 0.00 C ATOM 75 C GLN A 9 -2.744 -9.776 1.429 1.00 0.00 C ATOM 76 O GLN A 9 -2.115 -9.997 2.462 1.00 0.00 O ATOM 77 CB GLN A 9 -4.321 -11.700 1.009 1.00 0.00 C ATOM 78 CG GLN A 9 -4.804 -12.723 -0.020 1.00 0.00 C ATOM 79 CD GLN A 9 -6.209 -13.224 0.323 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.482 -13.680 1.421 1.00 0.00 O ATOM 81 NE2 GLN A 9 -7.081 -13.115 -0.676 1.00 0.00 N ATOM 0 H GLN A 9 -1.402 -11.951 1.123 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.386 -10.498 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.056 -12.209 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.129 -11.007 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.807 -12.272 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.112 -13.565 -0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.786 -12.724 -1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.045 -13.423 -0.547 1.00 0.00 H new ATOM 90 N LEU A 10 -3.153 -8.578 1.040 1.00 0.00 N ATOM 91 CA LEU A 10 -2.875 -7.397 1.839 1.00 0.00 C ATOM 92 C LEU A 10 -4.192 -6.812 2.354 1.00 0.00 C ATOM 93 O LEU A 10 -5.164 -6.709 1.607 1.00 0.00 O ATOM 94 CB LEU A 10 -2.029 -6.399 1.045 1.00 0.00 C ATOM 95 CG LEU A 10 -1.013 -5.589 1.853 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.532 -4.370 1.063 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.584 -5.198 3.217 1.00 0.00 C ATOM 0 H LEU A 10 -3.675 -8.399 0.182 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.279 -7.661 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.494 -6.944 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.700 -5.704 0.541 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.142 -6.219 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.189 -3.811 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.060 -4.699 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.382 -3.730 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.842 -4.623 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.480 -4.594 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.838 -6.098 3.777 1.00 0.00 H new ATOM 109 N SER A 11 -4.182 -6.445 3.627 1.00 0.00 N ATOM 110 CA SER A 11 -5.363 -5.874 4.251 1.00 0.00 C ATOM 111 C SER A 11 -5.228 -4.353 4.334 1.00 0.00 C ATOM 112 O SER A 11 -4.237 -3.842 4.855 1.00 0.00 O ATOM 113 CB SER A 11 -5.590 -6.464 5.645 1.00 0.00 C ATOM 114 OG SER A 11 -6.964 -6.428 6.022 1.00 0.00 O ATOM 0 H SER A 11 -3.374 -6.532 4.243 1.00 0.00 H new ATOM 0 HA SER A 11 -6.228 -6.122 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.235 -7.495 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.999 -5.910 6.374 1.00 0.00 H new ATOM 0 HG SER A 11 -7.321 -7.340 6.044 1.00 0.00 H new ATOM 120 N ILE A 12 -6.237 -3.671 3.813 1.00 0.00 N ATOM 121 CA ILE A 12 -6.243 -2.218 3.822 1.00 0.00 C ATOM 122 C ILE A 12 -7.664 -1.720 4.093 1.00 0.00 C ATOM 123 O ILE A 12 -8.637 -2.370 3.715 1.00 0.00 O ATOM 124 CB ILE A 12 -5.637 -1.672 2.527 1.00 0.00 C ATOM 125 CG1 ILE A 12 -4.132 -1.941 2.471 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.961 -0.187 2.354 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.688 -2.280 1.047 1.00 0.00 C ATOM 0 H ILE A 12 -7.057 -4.098 3.382 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.613 -1.839 4.627 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.090 -2.200 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.589 -1.065 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.881 -2.764 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.519 0.176 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.042 -0.052 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.553 0.375 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.614 -2.467 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.215 -3.170 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.918 -1.445 0.386 1.00 0.00 H new ATOM 139 N LYS A 13 -7.739 -0.570 4.747 1.00 0.00 N ATOM 140 CA LYS A 13 -9.024 0.023 5.074 1.00 0.00 C ATOM 141 C LYS A 13 -9.084 1.444 4.509 1.00 0.00 C ATOM 142 O LYS A 13 -8.337 2.320 4.943 1.00 0.00 O ATOM 143 CB LYS A 13 -9.281 -0.051 6.580 1.00 0.00 C ATOM 144 CG LYS A 13 -10.767 -0.275 6.873 1.00 0.00 C ATOM 145 CD LYS A 13 -11.029 -0.313 8.379 1.00 0.00 C ATOM 146 CE LYS A 13 -9.736 -0.576 9.154 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.008 -0.642 10.608 1.00 0.00 N ATOM 0 H LYS A 13 -6.930 -0.033 5.059 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.833 -0.540 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.695 -0.862 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.948 0.872 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.355 0.522 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.094 -1.211 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.464 0.634 8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.758 -1.091 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.288 -1.511 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.014 0.215 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.120 -0.821 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.415 0.261 10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.680 -1.412 10.801 1.00 0.00 H new ATOM 161 N LEU A 14 -9.979 1.628 3.550 1.00 0.00 N ATOM 162 CA LEU A 14 -10.146 2.928 2.922 1.00 0.00 C ATOM 163 C LEU A 14 -11.483 3.532 3.356 1.00 0.00 C ATOM 164 O LEU A 14 -12.392 2.809 3.761 1.00 0.00 O ATOM 165 CB LEU A 14 -9.987 2.813 1.404 1.00 0.00 C ATOM 166 CG LEU A 14 -8.802 1.978 0.915 1.00 0.00 C ATOM 167 CD1 LEU A 14 -7.572 2.202 1.797 1.00 0.00 C ATOM 168 CD2 LEU A 14 -9.177 0.497 0.820 1.00 0.00 C ATOM 0 H LEU A 14 -10.596 0.899 3.192 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.365 3.613 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.902 2.384 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.893 3.817 0.991 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.542 2.310 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.744 1.597 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.292 3.255 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.802 1.914 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.317 -0.074 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.478 0.134 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.003 0.375 0.119 1.00 0.00 H new ATOM 180 N TRP A 15 -11.560 4.851 3.257 1.00 0.00 N ATOM 181 CA TRP A 15 -12.771 5.560 3.634 1.00 0.00 C ATOM 182 C TRP A 15 -12.762 6.918 2.930 1.00 0.00 C ATOM 183 O TRP A 15 -11.700 7.489 2.687 1.00 0.00 O ATOM 184 CB TRP A 15 -12.886 5.676 5.155 1.00 0.00 C ATOM 185 CG TRP A 15 -13.883 6.738 5.624 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.722 8.068 5.648 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.211 6.503 6.139 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.843 8.705 6.139 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.777 7.723 6.447 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.909 5.299 6.339 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.068 7.858 6.972 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.198 5.451 6.865 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.783 6.672 7.180 1.00 0.00 C ATOM 0 H TRP A 15 -10.804 5.447 2.921 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.656 5.009 3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.183 4.709 5.562 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.904 5.907 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.827 8.578 5.324 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.964 9.711 6.255 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.485 4.334 6.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.490 8.825 7.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.778 4.557 7.038 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.784 6.706 7.583 1.00 0.00 H new ATOM 204 N PHE A 16 -13.959 7.397 2.621 1.00 0.00 N ATOM 205 CA PHE A 16 -14.102 8.677 1.950 1.00 0.00 C ATOM 206 C PHE A 16 -14.797 9.696 2.855 1.00 0.00 C ATOM 207 O PHE A 16 -15.846 9.408 3.429 1.00 0.00 O ATOM 208 CB PHE A 16 -14.968 8.438 0.711 1.00 0.00 C ATOM 209 CG PHE A 16 -15.029 9.630 -0.245 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.881 10.157 -0.750 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.231 10.164 -0.591 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.937 11.264 -1.637 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.288 11.271 -1.479 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.140 11.797 -1.983 1.00 0.00 C ATOM 0 H PHE A 16 -14.838 6.921 2.823 1.00 0.00 H new ATOM 0 HA PHE A 16 -13.120 9.073 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.582 7.573 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.980 8.189 1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.926 9.733 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.143 9.746 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.025 11.683 -2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.243 11.695 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.183 12.639 -2.659 1.00 0.00 H new ATOM 224 N ASP A 17 -14.185 10.867 2.953 1.00 0.00 N ATOM 225 CA ASP A 17 -14.732 11.930 3.779 1.00 0.00 C ATOM 226 C ASP A 17 -15.201 13.077 2.881 1.00 0.00 C ATOM 227 O ASP A 17 -14.476 14.050 2.681 1.00 0.00 O ATOM 228 CB ASP A 17 -13.675 12.483 4.737 1.00 0.00 C ATOM 229 CG ASP A 17 -13.889 12.129 6.210 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.692 12.839 6.853 1.00 0.00 O ATOM 231 OD2 ASP A 17 -13.245 11.156 6.659 1.00 0.00 O ATOM 0 H ASP A 17 -13.316 11.103 2.474 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.560 11.517 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.697 12.113 4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.650 13.568 4.640 1.00 0.00 H new ATOM 236 N LYS A 18 -16.412 12.923 2.364 1.00 0.00 N ATOM 237 CA LYS A 18 -16.986 13.934 1.492 1.00 0.00 C ATOM 238 C LYS A 18 -17.098 15.255 2.255 1.00 0.00 C ATOM 239 O LYS A 18 -17.215 16.318 1.647 1.00 0.00 O ATOM 240 CB LYS A 18 -18.314 13.446 0.909 1.00 0.00 C ATOM 241 CG LYS A 18 -19.355 13.242 2.011 1.00 0.00 C ATOM 242 CD LYS A 18 -19.765 11.771 2.114 1.00 0.00 C ATOM 243 CE LYS A 18 -20.437 11.482 3.457 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.438 10.028 3.734 1.00 0.00 N ATOM 0 H LYS A 18 -17.011 12.114 2.532 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.335 14.114 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.685 14.170 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.158 12.510 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.950 13.578 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.233 13.854 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.447 11.522 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.887 11.136 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.913 12.010 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.460 11.857 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.898 9.849 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.958 9.532 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.459 9.680 3.765 1.00 0.00 H new ATOM 258 N VAL A 19 -17.059 15.145 3.574 1.00 0.00 N ATOM 259 CA VAL A 19 -17.154 16.318 4.426 1.00 0.00 C ATOM 260 C VAL A 19 -15.949 17.227 4.173 1.00 0.00 C ATOM 261 O VAL A 19 -16.092 18.308 3.605 1.00 0.00 O ATOM 262 CB VAL A 19 -17.285 15.893 5.890 1.00 0.00 C ATOM 263 CG1 VAL A 19 -17.447 17.110 6.803 1.00 0.00 C ATOM 264 CG2 VAL A 19 -18.444 14.911 6.074 1.00 0.00 C ATOM 0 H VAL A 19 -16.963 14.261 4.074 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.050 16.891 4.187 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.365 15.382 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -17.538 16.779 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.576 17.757 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -18.343 17.662 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -18.515 14.625 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -19.375 15.385 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -18.268 14.023 5.467 1.00 0.00 H new ATOM 274 N GLY A 20 -14.790 16.754 4.607 1.00 0.00 N ATOM 275 CA GLY A 20 -13.562 17.510 4.434 1.00 0.00 C ATOM 276 C GLY A 20 -12.931 17.227 3.070 1.00 0.00 C ATOM 277 O GLY A 20 -11.815 17.666 2.794 1.00 0.00 O ATOM 0 H GLY A 20 -14.676 15.857 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.771 18.576 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.858 17.252 5.225 1.00 0.00 H new ATOM 281 N HIS A 21 -13.672 16.495 2.251 1.00 0.00 N ATOM 282 CA HIS A 21 -13.200 16.149 0.921 1.00 0.00 C ATOM 283 C HIS A 21 -11.807 15.523 1.019 1.00 0.00 C ATOM 284 O HIS A 21 -10.897 15.909 0.287 1.00 0.00 O ATOM 285 CB HIS A 21 -13.240 17.366 -0.004 1.00 0.00 C ATOM 286 CG HIS A 21 -14.598 18.018 -0.103 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.505 17.713 -1.103 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.194 18.960 0.683 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.593 18.445 -0.918 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.399 19.218 0.189 1.00 0.00 N ATOM 0 H HIS A 21 -14.596 16.132 2.483 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.864 15.407 0.477 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.520 18.103 0.351 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.921 17.062 -1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -14.759 19.418 1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.479 18.432 -1.536 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.069 19.884 0.574 1.00 0.00 H new ATOM 298 N GLN A 22 -11.684 14.568 1.929 1.00 0.00 N ATOM 299 CA GLN A 22 -10.418 13.886 2.132 1.00 0.00 C ATOM 300 C GLN A 22 -10.601 12.374 1.988 1.00 0.00 C ATOM 301 O GLN A 22 -11.617 11.825 2.409 1.00 0.00 O ATOM 302 CB GLN A 22 -9.817 14.238 3.494 1.00 0.00 C ATOM 303 CG GLN A 22 -10.455 15.507 4.063 1.00 0.00 C ATOM 304 CD GLN A 22 -10.008 15.745 5.507 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.384 16.741 5.835 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.362 14.778 6.349 1.00 0.00 N ATOM 0 H GLN A 22 -12.441 14.250 2.534 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.720 14.223 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.966 13.410 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.741 14.381 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.181 16.364 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.541 15.421 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.884 13.971 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.111 14.844 7.336 1.00 0.00 H new ATOM 315 N LEU A 23 -9.600 11.743 1.391 1.00 0.00 N ATOM 316 CA LEU A 23 -9.637 10.305 1.186 1.00 0.00 C ATOM 317 C LEU A 23 -8.892 9.612 2.328 1.00 0.00 C ATOM 318 O LEU A 23 -7.685 9.791 2.485 1.00 0.00 O ATOM 319 CB LEU A 23 -9.104 9.948 -0.203 1.00 0.00 C ATOM 320 CG LEU A 23 -8.982 8.454 -0.511 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.342 7.856 -0.876 1.00 0.00 C ATOM 322 CD2 LEU A 23 -7.935 8.202 -1.597 1.00 0.00 C ATOM 0 H LEU A 23 -8.758 12.202 1.043 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.665 9.943 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.758 10.400 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.121 10.405 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.639 7.947 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.227 6.793 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.032 7.985 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.738 8.363 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.868 7.133 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.224 8.724 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.966 8.569 -1.260 1.00 0.00 H new ATOM 334 N ILE A 24 -9.641 8.834 3.096 1.00 0.00 N ATOM 335 CA ILE A 24 -9.066 8.113 4.218 1.00 0.00 C ATOM 336 C ILE A 24 -8.554 6.754 3.738 1.00 0.00 C ATOM 337 O ILE A 24 -9.221 6.076 2.957 1.00 0.00 O ATOM 338 CB ILE A 24 -10.072 8.020 5.367 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.215 9.366 6.082 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.698 6.895 6.334 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.575 10.476 5.093 1.00 0.00 C ATOM 0 H ILE A 24 -10.642 8.687 2.963 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.208 8.654 4.618 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.047 7.773 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.985 9.294 6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.282 9.614 6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.429 6.851 7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.689 5.945 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.709 7.087 6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.671 11.422 5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.791 10.561 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.520 10.237 4.606 1.00 0.00 H new ATOM 353 N VAL A 25 -7.375 6.396 4.224 1.00 0.00 N ATOM 354 CA VAL A 25 -6.766 5.130 3.853 1.00 0.00 C ATOM 355 C VAL A 25 -5.854 4.656 4.987 1.00 0.00 C ATOM 356 O VAL A 25 -5.004 5.409 5.461 1.00 0.00 O ATOM 357 CB VAL A 25 -6.033 5.272 2.518 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.607 6.722 2.278 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.831 4.329 2.448 1.00 0.00 C ATOM 0 H VAL A 25 -6.825 6.960 4.872 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.531 4.367 3.709 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.726 4.990 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.088 6.795 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.489 7.362 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.940 7.043 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.328 4.451 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.136 4.565 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.171 3.298 2.551 1.00 0.00 H new ATOM 369 N THR A 26 -6.062 3.411 5.390 1.00 0.00 N ATOM 370 CA THR A 26 -5.270 2.829 6.460 1.00 0.00 C ATOM 371 C THR A 26 -4.637 1.515 5.999 1.00 0.00 C ATOM 372 O THR A 26 -5.331 0.624 5.512 1.00 0.00 O ATOM 373 CB THR A 26 -6.173 2.671 7.685 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.113 3.942 8.326 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.593 1.704 8.719 1.00 0.00 C ATOM 0 H THR A 26 -6.767 2.789 4.995 1.00 0.00 H new ATOM 0 HA THR A 26 -4.437 3.477 6.734 1.00 0.00 H new ATOM 0 HB THR A 26 -7.155 2.318 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.361 3.956 8.954 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.273 1.628 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.466 0.720 8.267 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.626 2.073 9.060 1.00 0.00 H new ATOM 383 N ILE A 27 -3.325 1.435 6.169 1.00 0.00 N ATOM 384 CA ILE A 27 -2.590 0.245 5.777 1.00 0.00 C ATOM 385 C ILE A 27 -2.597 -0.758 6.932 1.00 0.00 C ATOM 386 O ILE A 27 -1.679 -0.774 7.751 1.00 0.00 O ATOM 387 CB ILE A 27 -1.187 0.617 5.294 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.250 1.659 4.175 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.403 -0.629 4.874 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.019 1.120 2.967 1.00 0.00 C ATOM 0 H ILE A 27 -2.752 2.176 6.573 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.075 -0.241 4.930 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.649 1.071 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.732 2.565 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.240 1.936 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.591 -0.336 4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.312 -1.305 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.929 -1.134 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.049 1.880 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.520 0.228 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.036 0.867 3.266 1.00 0.00 H new ATOM 402 N LEU A 28 -3.643 -1.570 6.962 1.00 0.00 N ATOM 403 CA LEU A 28 -3.782 -2.573 8.004 1.00 0.00 C ATOM 404 C LEU A 28 -2.487 -3.383 8.102 1.00 0.00 C ATOM 405 O LEU A 28 -1.517 -2.938 8.713 1.00 0.00 O ATOM 406 CB LEU A 28 -5.026 -3.430 7.761 1.00 0.00 C ATOM 407 CG LEU A 28 -6.372 -2.723 7.937 1.00 0.00 C ATOM 408 CD1 LEU A 28 -6.244 -1.224 7.663 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.451 -3.375 7.070 1.00 0.00 C ATOM 0 H LEU A 28 -4.403 -1.554 6.281 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.936 -2.097 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.977 -3.828 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.994 -4.282 8.440 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.683 -2.834 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.215 -0.746 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.527 -0.787 8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.899 -1.069 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.397 -2.854 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.160 -3.316 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.565 -4.420 7.357 1.00 0.00 H new ATOM 421 N GLY A 29 -2.515 -4.558 7.491 1.00 0.00 N ATOM 422 CA GLY A 29 -1.356 -5.434 7.501 1.00 0.00 C ATOM 423 C GLY A 29 -1.436 -6.463 6.372 1.00 0.00 C ATOM 424 O GLY A 29 -2.492 -6.648 5.769 1.00 0.00 O ATOM 0 H GLY A 29 -3.322 -4.924 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.447 -4.842 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.291 -5.946 8.461 1.00 0.00 H new ATOM 428 N ALA A 30 -0.305 -7.106 6.119 1.00 0.00 N ATOM 429 CA ALA A 30 -0.234 -8.112 5.072 1.00 0.00 C ATOM 430 C ALA A 30 -0.285 -9.504 5.705 1.00 0.00 C ATOM 431 O ALA A 30 -0.169 -9.642 6.921 1.00 0.00 O ATOM 432 CB ALA A 30 1.032 -7.895 4.241 1.00 0.00 C ATOM 0 H ALA A 30 0.569 -6.950 6.621 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.086 -8.025 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.086 -8.649 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.006 -6.903 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.908 -7.978 4.884 1.00 0.00 H new ATOM 438 N LYS A 31 -0.459 -10.501 4.850 1.00 0.00 N ATOM 439 CA LYS A 31 -0.527 -11.878 5.309 1.00 0.00 C ATOM 440 C LYS A 31 -0.134 -12.814 4.164 1.00 0.00 C ATOM 441 O LYS A 31 -0.179 -12.426 2.998 1.00 0.00 O ATOM 442 CB LYS A 31 -1.905 -12.178 5.902 1.00 0.00 C ATOM 443 CG LYS A 31 -2.976 -12.214 4.809 1.00 0.00 C ATOM 444 CD LYS A 31 -3.239 -13.648 4.346 1.00 0.00 C ATOM 445 CE LYS A 31 -4.296 -14.322 5.223 1.00 0.00 C ATOM 446 NZ LYS A 31 -5.531 -14.571 4.446 1.00 0.00 N ATOM 0 H LYS A 31 -0.555 -10.383 3.841 1.00 0.00 H new ATOM 0 HA LYS A 31 0.186 -12.045 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.880 -13.135 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.160 -11.419 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.900 -11.774 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.656 -11.607 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.572 -13.644 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.313 -14.221 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.908 -15.263 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.521 -13.690 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.238 -15.029 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.909 -13.668 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.315 -15.192 3.640 1.00 0.00 H new ATOM 460 N ASP A 32 0.243 -14.028 4.538 1.00 0.00 N ATOM 461 CA ASP A 32 0.644 -15.022 3.556 1.00 0.00 C ATOM 462 C ASP A 32 1.830 -14.487 2.751 1.00 0.00 C ATOM 463 O ASP A 32 1.852 -14.597 1.526 1.00 0.00 O ATOM 464 CB ASP A 32 -0.494 -15.322 2.580 1.00 0.00 C ATOM 465 CG ASP A 32 -1.522 -16.340 3.078 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.083 -17.334 3.695 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.724 -16.100 2.831 1.00 0.00 O ATOM 0 H ASP A 32 0.279 -14.346 5.507 1.00 0.00 H new ATOM 0 HA ASP A 32 0.911 -15.935 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.010 -14.390 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.065 -15.688 1.647 1.00 0.00 H new ATOM 472 N LEU A 33 2.786 -13.919 3.471 1.00 0.00 N ATOM 473 CA LEU A 33 3.972 -13.367 2.838 1.00 0.00 C ATOM 474 C LEU A 33 5.020 -14.471 2.678 1.00 0.00 C ATOM 475 O LEU A 33 5.067 -15.407 3.474 1.00 0.00 O ATOM 476 CB LEU A 33 4.476 -12.149 3.615 1.00 0.00 C ATOM 477 CG LEU A 33 3.468 -11.015 3.811 1.00 0.00 C ATOM 478 CD1 LEU A 33 4.161 -9.745 4.309 1.00 0.00 C ATOM 479 CD2 LEU A 33 2.666 -10.766 2.532 1.00 0.00 C ATOM 0 H LEU A 33 2.764 -13.829 4.487 1.00 0.00 H new ATOM 0 HA LEU A 33 3.736 -13.003 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.813 -12.483 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.348 -11.748 3.098 1.00 0.00 H new ATOM 0 HG LEU A 33 2.759 -11.318 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.422 -8.955 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.649 -9.947 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.906 -9.427 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.957 -9.955 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.345 -10.494 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.124 -11.672 2.260 1.00 0.00 H new ATOM 612 N ARG A 42 11.289 -11.190 7.564 1.00 0.00 N ATOM 613 CA ARG A 42 11.939 -10.046 6.949 1.00 0.00 C ATOM 614 C ARG A 42 11.359 -8.743 7.503 1.00 0.00 C ATOM 615 O ARG A 42 10.584 -8.762 8.459 1.00 0.00 O ATOM 616 CB ARG A 42 11.768 -10.066 5.429 1.00 0.00 C ATOM 617 CG ARG A 42 10.618 -10.989 5.019 1.00 0.00 C ATOM 618 CD ARG A 42 10.248 -10.785 3.549 1.00 0.00 C ATOM 619 NE ARG A 42 10.539 -12.015 2.778 1.00 0.00 N ATOM 620 CZ ARG A 42 11.735 -12.303 2.247 1.00 0.00 C ATOM 621 NH1 ARG A 42 12.759 -11.452 2.400 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.907 -13.443 1.564 1.00 0.00 N ATOM 0 HA ARG A 42 13.002 -10.104 7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.575 -9.056 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.693 -10.401 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.904 -12.028 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.749 -10.794 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.191 -10.534 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.809 -9.946 3.137 1.00 0.00 H new ATOM 0 HE ARG A 42 9.782 -12.685 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.628 -10.585 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.669 -11.672 1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.128 -14.091 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.817 -13.663 1.160 1.00 0.00 H new ATOM 636 N ASN A 43 11.756 -7.643 6.880 1.00 0.00 N ATOM 637 CA ASN A 43 11.284 -6.334 7.300 1.00 0.00 C ATOM 638 C ASN A 43 10.485 -5.696 6.162 1.00 0.00 C ATOM 639 O ASN A 43 11.011 -4.870 5.417 1.00 0.00 O ATOM 640 CB ASN A 43 12.456 -5.408 7.633 1.00 0.00 C ATOM 641 CG ASN A 43 13.384 -6.048 8.667 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.147 -7.137 9.162 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.451 -5.311 8.965 1.00 0.00 N ATOM 0 H ASN A 43 12.399 -7.631 6.088 1.00 0.00 H new ATOM 0 HA ASN A 43 10.665 -6.466 8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.016 -5.184 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.078 -4.460 8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.131 -5.650 9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.589 -4.407 8.513 1.00 0.00 H new ATOM 650 N PRO A 44 9.195 -6.114 6.060 1.00 0.00 N ATOM 651 CA PRO A 44 8.319 -5.593 5.025 1.00 0.00 C ATOM 652 C PRO A 44 7.867 -4.169 5.356 1.00 0.00 C ATOM 653 O PRO A 44 8.018 -3.713 6.488 1.00 0.00 O ATOM 654 CB PRO A 44 7.165 -6.580 4.953 1.00 0.00 C ATOM 655 CG PRO A 44 7.200 -7.358 6.258 1.00 0.00 C ATOM 656 CD PRO A 44 8.539 -7.091 6.924 1.00 0.00 C ATOM 0 HA PRO A 44 8.814 -5.508 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.214 -6.061 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.274 -7.247 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.382 -7.049 6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.073 -8.424 6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.408 -6.702 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.128 -8.004 7.008 1.00 0.00 H new ATOM 664 N TYR A 45 7.323 -3.505 4.346 1.00 0.00 N ATOM 665 CA TYR A 45 6.849 -2.142 4.515 1.00 0.00 C ATOM 666 C TYR A 45 6.027 -1.694 3.306 1.00 0.00 C ATOM 667 O TYR A 45 6.508 -1.732 2.174 1.00 0.00 O ATOM 668 CB TYR A 45 8.102 -1.270 4.617 1.00 0.00 C ATOM 669 CG TYR A 45 8.832 -1.071 3.288 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.449 -0.056 2.435 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.874 -1.908 2.941 1.00 0.00 C ATOM 672 CE1 TYR A 45 9.137 0.130 1.183 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.561 -1.721 1.690 1.00 0.00 C ATOM 674 CZ TYR A 45 10.159 -0.712 0.872 1.00 0.00 C ATOM 675 OH TYR A 45 10.808 -0.536 -0.309 1.00 0.00 O ATOM 0 H TYR A 45 7.200 -3.886 3.408 1.00 0.00 H new ATOM 0 HA TYR A 45 6.212 -2.063 5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.822 -0.295 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.789 -1.721 5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.634 0.599 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.173 -2.703 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.848 0.920 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.378 -2.368 1.407 1.00 0.00 H new ATOM 0 HH TYR A 45 10.312 -0.985 -1.025 1.00 0.00 H new ATOM 685 N VAL A 46 4.800 -1.279 3.585 1.00 0.00 N ATOM 686 CA VAL A 46 3.906 -0.823 2.534 1.00 0.00 C ATOM 687 C VAL A 46 4.338 0.569 2.071 1.00 0.00 C ATOM 688 O VAL A 46 5.063 1.266 2.780 1.00 0.00 O ATOM 689 CB VAL A 46 2.457 -0.868 3.024 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.479 -0.726 1.855 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.185 -2.148 3.815 1.00 0.00 C ATOM 0 H VAL A 46 4.404 -1.249 4.524 1.00 0.00 H new ATOM 0 HA VAL A 46 3.963 -1.485 1.670 1.00 0.00 H new ATOM 0 HB VAL A 46 2.303 -0.022 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.456 -0.761 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.649 0.226 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.635 -1.542 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.148 -2.154 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.365 -3.014 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.847 -2.189 4.680 1.00 0.00 H new ATOM 701 N LYS A 47 3.876 0.933 0.884 1.00 0.00 N ATOM 702 CA LYS A 47 4.205 2.230 0.317 1.00 0.00 C ATOM 703 C LYS A 47 3.021 2.738 -0.507 1.00 0.00 C ATOM 704 O LYS A 47 2.708 2.182 -1.558 1.00 0.00 O ATOM 705 CB LYS A 47 5.515 2.154 -0.470 1.00 0.00 C ATOM 706 CG LYS A 47 6.521 3.189 0.036 1.00 0.00 C ATOM 707 CD LYS A 47 7.316 3.794 -1.122 1.00 0.00 C ATOM 708 CE LYS A 47 8.497 2.899 -1.502 1.00 0.00 C ATOM 709 NZ LYS A 47 9.739 3.375 -0.852 1.00 0.00 N ATOM 0 H LYS A 47 3.276 0.352 0.299 1.00 0.00 H new ATOM 0 HA LYS A 47 4.378 2.959 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.940 1.154 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.317 2.322 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.996 3.979 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.204 2.721 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.664 3.928 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.680 4.782 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.293 1.871 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.625 2.895 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.531 2.756 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.941 4.348 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.620 3.356 0.181 1.00 0.00 H new ATOM 723 N ILE A 48 2.394 3.789 0.002 1.00 0.00 N ATOM 724 CA ILE A 48 1.251 4.378 -0.674 1.00 0.00 C ATOM 725 C ILE A 48 1.726 5.530 -1.561 1.00 0.00 C ATOM 726 O ILE A 48 2.728 6.177 -1.261 1.00 0.00 O ATOM 727 CB ILE A 48 0.180 4.784 0.340 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.126 3.636 1.304 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.080 5.290 -0.367 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.097 4.118 2.756 1.00 0.00 C ATOM 0 H ILE A 48 2.656 4.247 0.875 1.00 0.00 H new ATOM 0 HA ILE A 48 0.777 3.646 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 48 0.569 5.610 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.106 3.216 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.603 2.837 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.826 5.572 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.831 6.157 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.482 4.501 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.318 3.283 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.891 4.515 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.844 4.900 2.895 1.00 0.00 H new ATOM 742 N TYR A 49 0.985 5.752 -2.637 1.00 0.00 N ATOM 743 CA TYR A 49 1.319 6.815 -3.570 1.00 0.00 C ATOM 744 C TYR A 49 0.076 7.294 -4.322 1.00 0.00 C ATOM 745 O TYR A 49 -0.397 6.622 -5.238 1.00 0.00 O ATOM 746 CB TYR A 49 2.302 6.205 -4.570 1.00 0.00 C ATOM 747 CG TYR A 49 3.772 6.382 -4.184 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.239 7.620 -3.793 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.631 5.302 -4.226 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.623 7.787 -3.430 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.015 5.469 -3.862 1.00 0.00 C ATOM 752 CZ TYR A 49 6.442 6.702 -3.482 1.00 0.00 C ATOM 753 OH TYR A 49 7.749 6.860 -3.138 1.00 0.00 O ATOM 0 H TYR A 49 0.154 5.214 -2.883 1.00 0.00 H new ATOM 0 HA TYR A 49 1.738 7.672 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.089 5.141 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.137 6.657 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.567 8.464 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.266 4.333 -4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.002 8.751 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.698 4.633 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 49 8.215 6.002 -3.221 1.00 0.00 H new ATOM 763 N PHE A 50 -0.418 8.451 -3.909 1.00 0.00 N ATOM 764 CA PHE A 50 -1.597 9.028 -4.532 1.00 0.00 C ATOM 765 C PHE A 50 -1.265 9.592 -5.915 1.00 0.00 C ATOM 766 O PHE A 50 -0.819 10.732 -6.034 1.00 0.00 O ATOM 767 CB PHE A 50 -2.068 10.169 -3.629 1.00 0.00 C ATOM 768 CG PHE A 50 -3.476 10.676 -3.950 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.557 9.895 -3.687 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.645 11.909 -4.498 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.863 10.365 -3.985 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.952 12.380 -4.796 1.00 0.00 C ATOM 773 CZ PHE A 50 -6.033 11.598 -4.533 1.00 0.00 C ATOM 0 H PHE A 50 -0.023 9.006 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.364 8.264 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.041 9.833 -2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.366 10.999 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.422 8.916 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.786 12.530 -4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.721 9.744 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.087 13.359 -5.231 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.026 11.956 -4.759 1.00 0.00 H new ATOM 783 N LEU A 51 -1.497 8.768 -6.926 1.00 0.00 N ATOM 784 CA LEU A 51 -1.228 9.170 -8.297 1.00 0.00 C ATOM 785 C LEU A 51 -2.215 10.266 -8.704 1.00 0.00 C ATOM 786 O LEU A 51 -3.295 10.381 -8.126 1.00 0.00 O ATOM 787 CB LEU A 51 -1.242 7.954 -9.225 1.00 0.00 C ATOM 788 CG LEU A 51 0.063 7.159 -9.308 1.00 0.00 C ATOM 789 CD1 LEU A 51 0.927 7.392 -8.068 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.215 5.673 -9.542 1.00 0.00 C ATOM 0 H LEU A 51 -1.868 7.824 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.227 9.593 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.034 7.281 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.504 8.290 -10.228 1.00 0.00 H new ATOM 0 HG LEU A 51 0.629 7.520 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.848 6.815 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.168 8.452 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.381 7.075 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.729 5.131 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.812 5.280 -8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.761 5.548 -10.477 1.00 0.00 H new ATOM 933 N ARG A 60 3.373 8.381 1.138 1.00 0.00 N ATOM 934 CA ARG A 60 2.939 7.868 2.426 1.00 0.00 C ATOM 935 C ARG A 60 3.400 6.420 2.604 1.00 0.00 C ATOM 936 O ARG A 60 2.974 5.534 1.865 1.00 0.00 O ATOM 937 CB ARG A 60 1.416 7.931 2.559 1.00 0.00 C ATOM 938 CG ARG A 60 1.006 8.467 3.932 1.00 0.00 C ATOM 939 CD ARG A 60 1.378 9.944 4.078 1.00 0.00 C ATOM 940 NE ARG A 60 0.207 10.717 4.546 1.00 0.00 N ATOM 941 CZ ARG A 60 0.279 11.952 5.061 1.00 0.00 C ATOM 942 NH1 ARG A 60 1.466 12.562 5.177 1.00 0.00 N ATOM 943 NH2 ARG A 60 -0.837 12.578 5.459 1.00 0.00 N ATOM 0 HA ARG A 60 3.386 8.493 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.006 8.571 1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.993 6.937 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.068 8.344 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.495 7.886 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.201 10.052 4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.725 10.336 3.122 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.713 10.283 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.316 12.086 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.520 13.502 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.741 12.114 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.782 13.518 5.851 1.00 0.00 H new ATOM 957 N ARG A 61 4.264 6.225 3.590 1.00 0.00 N ATOM 958 CA ARG A 61 4.788 4.900 3.874 1.00 0.00 C ATOM 959 C ARG A 61 4.625 4.573 5.360 1.00 0.00 C ATOM 960 O ARG A 61 4.816 5.438 6.214 1.00 0.00 O ATOM 961 CB ARG A 61 6.267 4.799 3.495 1.00 0.00 C ATOM 962 CG ARG A 61 6.782 3.370 3.674 1.00 0.00 C ATOM 963 CD ARG A 61 8.165 3.363 4.330 1.00 0.00 C ATOM 964 NE ARG A 61 9.217 3.277 3.293 1.00 0.00 N ATOM 965 CZ ARG A 61 10.520 3.483 3.526 1.00 0.00 C ATOM 966 NH1 ARG A 61 10.940 3.788 4.761 1.00 0.00 N ATOM 967 NH2 ARG A 61 11.404 3.383 2.524 1.00 0.00 N ATOM 0 H ARG A 61 4.614 6.962 4.202 1.00 0.00 H new ATOM 0 HA ARG A 61 4.223 4.185 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.403 5.111 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.852 5.480 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.082 2.802 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.833 2.874 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.300 4.268 4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.248 2.519 5.014 1.00 0.00 H new ATOM 0 HE ARG A 61 8.932 3.046 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.268 3.863 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.932 3.945 4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.085 3.150 1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.396 3.540 2.702 1.00 0.00 H new ATOM 981 N THR A 62 4.275 3.322 5.623 1.00 0.00 N ATOM 982 CA THR A 62 4.085 2.871 6.991 1.00 0.00 C ATOM 983 C THR A 62 5.428 2.488 7.618 1.00 0.00 C ATOM 984 O THR A 62 6.435 2.382 6.920 1.00 0.00 O ATOM 985 CB THR A 62 3.074 1.723 6.973 1.00 0.00 C ATOM 986 OG1 THR A 62 3.685 0.734 6.148 1.00 0.00 O ATOM 987 CG2 THR A 62 1.788 2.086 6.229 1.00 0.00 C ATOM 0 H THR A 62 4.118 2.607 4.912 1.00 0.00 H new ATOM 0 HA THR A 62 3.684 3.667 7.618 1.00 0.00 H new ATOM 0 HB THR A 62 2.832 1.437 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.766 -0.105 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.105 1.236 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.316 2.941 6.714 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.025 2.340 5.196 1.00 0.00 H new ATOM 995 N LYS A 63 5.398 2.293 8.928 1.00 0.00 N ATOM 996 CA LYS A 63 6.600 1.925 9.657 1.00 0.00 C ATOM 997 C LYS A 63 7.120 0.585 9.131 1.00 0.00 C ATOM 998 O LYS A 63 6.336 -0.309 8.817 1.00 0.00 O ATOM 999 CB LYS A 63 6.337 1.934 11.164 1.00 0.00 C ATOM 1000 CG LYS A 63 5.039 1.195 11.498 1.00 0.00 C ATOM 1001 CD LYS A 63 5.203 0.341 12.757 1.00 0.00 C ATOM 1002 CE LYS A 63 4.228 -0.838 12.750 1.00 0.00 C ATOM 1003 NZ LYS A 63 2.862 -0.383 13.093 1.00 0.00 N ATOM 0 H LYS A 63 4.561 2.383 9.503 1.00 0.00 H new ATOM 0 HA LYS A 63 7.387 2.661 9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.171 1.465 11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.276 2.962 11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.234 1.915 11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.751 0.561 10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.226 -0.029 12.819 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.032 0.954 13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.225 -1.309 11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.556 -1.593 13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.198 -1.178 13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.849 -0.032 14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.578 0.381 12.447 1.00 0.00 H new ATOM 1017 N THR A 64 8.439 0.488 9.052 1.00 0.00 N ATOM 1018 CA THR A 64 9.073 -0.727 8.570 1.00 0.00 C ATOM 1019 C THR A 64 9.133 -1.775 9.683 1.00 0.00 C ATOM 1020 O THR A 64 9.840 -1.593 10.673 1.00 0.00 O ATOM 1021 CB THR A 64 10.447 -0.354 8.011 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.158 0.252 6.754 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.285 -1.582 7.649 1.00 0.00 C ATOM 0 H THR A 64 9.086 1.232 9.314 1.00 0.00 H new ATOM 0 HA THR A 64 8.494 -1.184 7.768 1.00 0.00 H new ATOM 0 HB THR A 64 10.985 0.249 8.743 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.994 0.526 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.250 -1.261 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.439 -2.192 8.539 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.763 -2.168 6.893 1.00 0.00 H new ATOM 1031 N VAL A 65 8.382 -2.848 9.484 1.00 0.00 N ATOM 1032 CA VAL A 65 8.342 -3.924 10.459 1.00 0.00 C ATOM 1033 C VAL A 65 9.667 -4.688 10.424 1.00 0.00 C ATOM 1034 O VAL A 65 10.352 -4.705 9.402 1.00 0.00 O ATOM 1035 CB VAL A 65 7.129 -4.820 10.199 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.712 -5.561 11.471 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.963 -4.012 9.627 1.00 0.00 C ATOM 0 H VAL A 65 7.796 -2.995 8.662 1.00 0.00 H new ATOM 0 HA VAL A 65 8.224 -3.523 11.466 1.00 0.00 H new ATOM 0 HB VAL A 65 7.416 -5.565 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.848 -6.191 11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.538 -6.183 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.453 -4.838 12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.114 -4.673 9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.677 -3.234 10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.266 -3.552 8.686 1.00 0.00 H new ATOM 1047 N LYS A 66 9.990 -5.301 11.554 1.00 0.00 N ATOM 1048 CA LYS A 66 11.221 -6.064 11.666 1.00 0.00 C ATOM 1049 C LYS A 66 10.883 -7.541 11.882 1.00 0.00 C ATOM 1050 O LYS A 66 10.272 -7.900 12.888 1.00 0.00 O ATOM 1051 CB LYS A 66 12.120 -5.474 12.753 1.00 0.00 C ATOM 1052 CG LYS A 66 12.386 -3.989 12.498 1.00 0.00 C ATOM 1053 CD LYS A 66 13.801 -3.769 11.958 1.00 0.00 C ATOM 1054 CE LYS A 66 14.179 -2.287 11.997 1.00 0.00 C ATOM 1055 NZ LYS A 66 15.647 -2.130 12.095 1.00 0.00 N ATOM 0 H LYS A 66 9.420 -5.284 12.400 1.00 0.00 H new ATOM 0 HA LYS A 66 11.794 -6.000 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.649 -5.601 13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.065 -6.017 12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.657 -3.603 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.255 -3.428 13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.513 -4.345 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.865 -4.137 10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.813 -1.788 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.698 -1.805 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.887 -1.118 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.988 -2.589 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.099 -2.572 11.270 1.00 0.00 H new ATOM 1069 N LYS A 67 11.295 -8.356 10.922 1.00 0.00 N ATOM 1070 CA LYS A 67 11.043 -9.785 10.995 1.00 0.00 C ATOM 1071 C LYS A 67 9.574 -10.022 11.350 1.00 0.00 C ATOM 1072 O LYS A 67 9.200 -9.983 12.521 1.00 0.00 O ATOM 1073 CB LYS A 67 12.024 -10.453 11.961 1.00 0.00 C ATOM 1074 CG LYS A 67 13.351 -10.765 11.265 1.00 0.00 C ATOM 1075 CD LYS A 67 14.348 -11.393 12.241 1.00 0.00 C ATOM 1076 CE LYS A 67 15.630 -11.813 11.521 1.00 0.00 C ATOM 1077 NZ LYS A 67 16.801 -11.652 12.412 1.00 0.00 N ATOM 0 H LYS A 67 11.801 -8.054 10.090 1.00 0.00 H new ATOM 0 HA LYS A 67 11.217 -10.252 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.202 -9.799 12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.588 -11.373 12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.177 -11.444 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.772 -9.850 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.587 -10.681 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.895 -12.261 12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.550 -12.851 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.764 -11.211 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.663 -11.942 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.885 -10.656 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.678 -12.246 13.257 1.00 0.00 H new ATOM 1091 N THR A 68 8.780 -10.264 10.317 1.00 0.00 N ATOM 1092 CA THR A 68 7.360 -10.508 10.505 1.00 0.00 C ATOM 1093 C THR A 68 6.697 -10.853 9.170 1.00 0.00 C ATOM 1094 O THR A 68 6.636 -10.017 8.269 1.00 0.00 O ATOM 1095 CB THR A 68 6.755 -9.278 11.184 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.678 -9.802 11.956 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.076 -8.334 10.189 1.00 0.00 C ATOM 0 H THR A 68 9.093 -10.296 9.347 1.00 0.00 H new ATOM 0 HA THR A 68 7.189 -11.370 11.150 1.00 0.00 H new ATOM 0 HB THR A 68 7.536 -8.739 11.720 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.231 -9.071 12.432 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.664 -7.478 10.723 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.807 -7.988 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.273 -8.863 9.676 1.00 0.00 H new ATOM 1105 N LEU A 69 6.217 -12.085 9.085 1.00 0.00 N ATOM 1106 CA LEU A 69 5.561 -12.550 7.875 1.00 0.00 C ATOM 1107 C LEU A 69 4.212 -11.843 7.727 1.00 0.00 C ATOM 1108 O LEU A 69 3.682 -11.733 6.623 1.00 0.00 O ATOM 1109 CB LEU A 69 5.458 -14.077 7.874 1.00 0.00 C ATOM 1110 CG LEU A 69 6.496 -14.818 7.029 1.00 0.00 C ATOM 1111 CD1 LEU A 69 7.914 -14.358 7.374 1.00 0.00 C ATOM 1112 CD2 LEU A 69 6.335 -16.333 7.168 1.00 0.00 C ATOM 0 H LEU A 69 6.269 -12.775 9.834 1.00 0.00 H new ATOM 0 HA LEU A 69 6.154 -12.293 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.539 -14.428 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.465 -14.354 7.520 1.00 0.00 H new ATOM 0 HG LEU A 69 6.324 -14.570 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.632 -14.900 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.006 -13.289 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.115 -14.556 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.085 -16.836 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.466 -16.619 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.339 -16.625 6.834 1.00 0.00 H new ATOM 1124 N GLU A 70 3.695 -11.383 8.857 1.00 0.00 N ATOM 1125 CA GLU A 70 2.418 -10.690 8.867 1.00 0.00 C ATOM 1126 C GLU A 70 2.547 -9.350 9.595 1.00 0.00 C ATOM 1127 O GLU A 70 2.394 -9.284 10.814 1.00 0.00 O ATOM 1128 CB GLU A 70 1.329 -11.556 9.503 1.00 0.00 C ATOM 1129 CG GLU A 70 0.646 -12.436 8.454 1.00 0.00 C ATOM 1130 CD GLU A 70 0.222 -13.778 9.055 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -0.673 -13.751 9.927 1.00 0.00 O ATOM 1132 OE2 GLU A 70 0.803 -14.800 8.630 1.00 0.00 O ATOM 0 H GLU A 70 4.137 -11.477 9.771 1.00 0.00 H new ATOM 0 HA GLU A 70 2.125 -10.495 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.766 -12.183 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.588 -10.919 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.227 -11.920 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.325 -12.606 7.619 1.00 0.00 H new ATOM 1139 N PRO A 71 2.834 -8.287 8.796 1.00 0.00 N ATOM 1140 CA PRO A 71 2.985 -6.953 9.352 1.00 0.00 C ATOM 1141 C PRO A 71 1.626 -6.354 9.718 1.00 0.00 C ATOM 1142 O PRO A 71 0.595 -6.781 9.199 1.00 0.00 O ATOM 1143 CB PRO A 71 3.713 -6.161 8.278 1.00 0.00 C ATOM 1144 CG PRO A 71 3.531 -6.942 6.987 1.00 0.00 C ATOM 1145 CD PRO A 71 3.021 -8.328 7.349 1.00 0.00 C ATOM 0 HA PRO A 71 3.549 -6.947 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.301 -5.156 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.770 -6.052 8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.824 -6.435 6.330 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.475 -7.012 6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.086 -8.553 6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.736 -9.100 7.064 1.00 0.00 H new ATOM 1153 N LYS A 72 1.667 -5.375 10.610 1.00 0.00 N ATOM 1154 CA LYS A 72 0.452 -4.714 11.052 1.00 0.00 C ATOM 1155 C LYS A 72 0.742 -3.231 11.295 1.00 0.00 C ATOM 1156 O LYS A 72 1.273 -2.863 12.342 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.138 -5.432 12.267 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.600 -6.844 11.899 1.00 0.00 C ATOM 1159 CD LYS A 72 -1.652 -7.351 12.887 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.099 -8.496 13.737 1.00 0.00 C ATOM 1161 NZ LYS A 72 -0.805 -8.026 15.110 1.00 0.00 N ATOM 0 H LYS A 72 2.523 -5.024 11.038 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.313 -4.767 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.608 -5.485 13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.980 -4.861 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.013 -6.844 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.255 -7.520 11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.972 -6.534 13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.534 -7.690 12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.821 -9.312 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.192 -8.892 13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.430 -8.815 15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.100 -7.262 15.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.678 -7.670 15.549 1.00 0.00 H new ATOM 1175 N TRP A 73 0.382 -2.421 10.311 1.00 0.00 N ATOM 1176 CA TRP A 73 0.598 -0.987 10.405 1.00 0.00 C ATOM 1177 C TRP A 73 -0.718 -0.339 10.839 1.00 0.00 C ATOM 1178 O TRP A 73 -0.740 0.469 11.767 1.00 0.00 O ATOM 1179 CB TRP A 73 1.135 -0.426 9.087 1.00 0.00 C ATOM 1180 CG TRP A 73 2.174 -1.320 8.407 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.497 -1.351 8.614 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.920 -2.317 7.395 1.00 0.00 C ATOM 1183 NE1 TRP A 73 4.113 -2.292 7.813 1.00 0.00 N ATOM 1184 CE2 TRP A 73 3.123 -2.898 7.048 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.713 -2.715 6.792 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.236 -3.910 6.088 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.844 -3.727 5.834 1.00 0.00 C ATOM 1188 CH2 TRP A 73 2.048 -4.322 5.474 1.00 0.00 C ATOM 0 H TRP A 73 -0.058 -2.730 9.444 1.00 0.00 H new ATOM 0 HA TRP A 73 1.361 -0.759 11.150 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.300 -0.271 8.403 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.579 0.552 9.274 1.00 0.00 H new ATOM 0 HD1 TRP A 73 4.017 -0.719 9.319 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.111 -2.503 7.787 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.239 -2.275 7.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.189 -4.350 5.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.053 -4.070 5.340 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.066 -5.099 4.724 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.783 -0.716 10.147 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.100 -0.181 10.449 1.00 0.00 C ATOM 1201 C ASN A 74 -2.980 1.312 10.760 1.00 0.00 C ATOM 1202 O ASN A 74 -3.661 1.821 11.649 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.707 -0.871 11.672 1.00 0.00 C ATOM 1204 CG ASN A 74 -5.069 -1.483 11.336 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -6.075 -0.801 11.227 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -5.045 -2.803 11.180 1.00 0.00 N ATOM 0 H ASN A 74 -1.761 -1.386 9.378 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.740 -0.352 9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.032 -1.650 12.027 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.818 -0.151 12.483 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.904 -3.306 10.955 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.168 -3.313 11.285 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.109 1.972 10.011 1.00 0.00 N ATOM 1214 CA GLN A 75 -1.891 3.397 10.195 1.00 0.00 C ATOM 1215 C GLN A 75 -2.985 4.197 9.486 1.00 0.00 C ATOM 1216 O GLN A 75 -3.801 3.632 8.759 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.503 3.808 9.701 1.00 0.00 C ATOM 1218 CG GLN A 75 0.586 3.328 10.663 1.00 0.00 C ATOM 1219 CD GLN A 75 1.299 4.512 11.318 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.718 5.289 12.058 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.589 4.607 11.006 1.00 0.00 N ATOM 0 H GLN A 75 -1.546 1.546 9.275 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.940 3.617 11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.327 3.390 8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.454 4.892 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.144 2.695 11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.309 2.717 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.014 3.923 10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.153 5.364 11.393 1.00 0.00 H new ATOM 1230 N THR A 76 -2.967 5.501 9.721 1.00 0.00 N ATOM 1231 CA THR A 76 -3.947 6.385 9.114 1.00 0.00 C ATOM 1232 C THR A 76 -3.282 7.279 8.066 1.00 0.00 C ATOM 1233 O THR A 76 -2.153 7.730 8.256 1.00 0.00 O ATOM 1234 CB THR A 76 -4.635 7.169 10.233 1.00 0.00 C ATOM 1235 OG1 THR A 76 -5.410 6.189 10.918 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.673 8.160 9.702 1.00 0.00 C ATOM 0 H THR A 76 -2.289 5.967 10.324 1.00 0.00 H new ATOM 0 HA THR A 76 -4.709 5.820 8.577 1.00 0.00 H new ATOM 0 HB THR A 76 -3.885 7.706 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.889 6.612 11.661 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.131 8.690 10.537 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.187 8.877 9.041 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.442 7.620 9.149 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.009 7.509 6.983 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.504 8.341 5.904 1.00 0.00 C ATOM 1246 C PHE A 77 -4.646 9.065 5.188 1.00 0.00 C ATOM 1247 O PHE A 77 -5.480 8.431 4.545 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.804 7.411 4.912 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.670 6.586 5.525 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.585 7.211 6.057 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.747 5.228 5.538 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.466 6.445 6.626 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.696 4.463 6.107 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.389 5.088 6.639 1.00 0.00 C ATOM 0 H PHE A 77 -4.945 7.133 6.829 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.826 9.095 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.542 6.733 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.404 8.007 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.523 8.289 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.608 4.732 5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.327 6.941 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.757 3.385 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.189 4.506 7.072 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.646 10.383 5.325 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.672 11.200 4.699 1.00 0.00 C ATOM 1266 C ILE A 78 -5.087 11.889 3.465 1.00 0.00 C ATOM 1267 O ILE A 78 -3.911 12.250 3.450 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.279 12.169 5.715 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.329 11.470 6.581 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.844 13.410 5.020 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.317 12.020 8.009 1.00 0.00 C ATOM 0 H ILE A 78 -3.952 10.905 5.860 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.498 10.577 4.355 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.485 12.506 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.317 11.608 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.135 10.398 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.269 14.082 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.045 13.922 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.620 13.111 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.073 11.506 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.335 11.859 8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.535 13.088 7.989 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.935 12.052 2.460 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.516 12.692 1.224 1.00 0.00 C ATOM 1285 C TYR A 79 -6.569 13.691 0.740 1.00 0.00 C ATOM 1286 O TYR A 79 -7.665 13.300 0.342 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.384 11.570 0.192 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.992 10.936 0.138 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.920 11.666 -0.334 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.809 9.635 0.560 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.610 11.069 -0.385 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.499 9.038 0.509 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.465 9.785 0.039 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.228 9.222 -0.010 1.00 0.00 O ATOM 0 H TYR A 79 -6.910 11.752 2.476 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.584 13.237 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.117 10.795 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.631 11.965 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.063 12.684 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.648 9.064 0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.762 11.628 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.342 8.021 0.836 1.00 0.00 H new ATOM 0 HH TYR A 79 0.453 9.917 0.106 1.00 0.00 H new ATOM 1304 N SER A 80 -6.199 14.962 0.791 1.00 0.00 N ATOM 1305 CA SER A 80 -7.098 16.021 0.363 1.00 0.00 C ATOM 1306 C SER A 80 -6.298 17.163 -0.266 1.00 0.00 C ATOM 1307 O SER A 80 -5.094 17.278 -0.046 1.00 0.00 O ATOM 1308 CB SER A 80 -7.934 16.541 1.535 1.00 0.00 C ATOM 1309 OG SER A 80 -7.549 17.857 1.922 1.00 0.00 O ATOM 0 H SER A 80 -5.289 15.283 1.122 1.00 0.00 H new ATOM 0 HA SER A 80 -7.781 15.611 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.988 16.538 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.826 15.867 2.385 1.00 0.00 H new ATOM 0 HG SER A 80 -8.106 18.154 2.671 1.00 0.00 H new ATOM 1315 N PRO A 81 -7.020 18.001 -1.058 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.443 17.794 -1.266 1.00 0.00 C ATOM 1317 C PRO A 81 -8.693 16.623 -2.219 1.00 0.00 C ATOM 1318 O PRO A 81 -7.959 16.440 -3.189 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.958 19.119 -1.805 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.736 19.865 -2.316 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.501 19.164 -1.774 1.00 0.00 C ATOM 0 HA PRO A 81 -8.967 17.521 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.681 18.960 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.465 19.687 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.722 19.874 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.759 20.905 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.829 18.866 -2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.934 19.817 -1.111 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.732 15.861 -1.908 1.00 0.00 N ATOM 1330 CA VAL A 82 -10.088 14.713 -2.724 1.00 0.00 C ATOM 1331 C VAL A 82 -11.595 14.728 -2.988 1.00 0.00 C ATOM 1332 O VAL A 82 -12.391 14.817 -2.055 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.612 13.425 -2.051 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.344 12.207 -2.617 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -8.096 13.264 -2.185 1.00 0.00 C ATOM 0 H VAL A 82 -10.338 16.016 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.588 14.762 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.849 13.495 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.986 11.305 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.415 12.315 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.153 12.133 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.784 12.340 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.826 13.227 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.597 14.110 -1.712 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.941 14.640 -4.264 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.339 14.642 -4.662 1.00 0.00 C ATOM 1347 C HIS A 83 -13.705 13.281 -5.257 1.00 0.00 C ATOM 1348 O HIS A 83 -12.827 12.474 -5.555 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.630 15.804 -5.614 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.924 17.111 -4.917 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -15.162 17.727 -4.968 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -13.127 17.911 -4.151 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -15.102 18.847 -4.263 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -13.840 18.959 -3.758 1.00 0.00 N ATOM 0 H HIS A 83 -11.278 14.567 -5.036 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.970 14.798 -3.787 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.774 15.941 -6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.480 15.540 -6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.092 17.723 -3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.910 19.548 -4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.500 19.723 -3.174 1.00 0.00 H new ATOM 1362 N ARG A 84 -15.004 13.070 -5.413 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.497 11.820 -5.967 1.00 0.00 C ATOM 1364 C ARG A 84 -15.376 11.832 -7.493 1.00 0.00 C ATOM 1365 O ARG A 84 -15.469 10.787 -8.134 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.958 11.585 -5.580 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.319 10.101 -5.677 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.023 9.378 -4.362 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.472 7.970 -4.447 1.00 0.00 N ATOM 1370 CZ ARG A 84 -17.746 7.204 -3.383 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -17.620 7.704 -2.146 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -18.147 5.937 -3.555 1.00 0.00 N ATOM 0 H ARG A 84 -15.730 13.743 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.890 11.013 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.130 11.939 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.609 12.165 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.375 9.995 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.754 9.638 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.955 9.416 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.530 9.881 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 84 -17.579 7.557 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -17.315 8.668 -2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -17.829 7.120 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.244 5.556 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -18.356 5.354 -2.745 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.171 13.026 -8.029 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.036 13.188 -9.466 1.00 0.00 C ATOM 1388 C ARG A 85 -13.559 13.182 -9.865 1.00 0.00 C ATOM 1389 O ARG A 85 -13.232 13.251 -11.049 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.679 14.495 -9.936 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.813 15.698 -9.559 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.419 16.501 -10.800 1.00 0.00 C ATOM 1393 NE ARG A 85 -13.178 17.264 -10.537 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.833 18.384 -11.187 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -13.634 18.879 -12.141 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.688 19.010 -10.882 1.00 0.00 N ATOM 0 H ARG A 85 -15.095 13.891 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.548 12.352 -9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.819 14.468 -11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.668 14.600 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.357 16.339 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.916 15.357 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.270 15.829 -11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.224 17.183 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.546 16.916 -9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.506 18.403 -12.372 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.371 19.731 -12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.079 18.634 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.425 19.862 -11.377 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.706 13.098 -8.855 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.272 13.082 -9.085 1.00 0.00 C ATOM 1412 C GLU A 86 -10.739 11.650 -9.011 1.00 0.00 C ATOM 1413 O GLU A 86 -9.569 11.403 -9.302 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.546 13.990 -8.090 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.633 15.455 -8.521 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.253 15.999 -8.898 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.750 15.579 -9.963 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -8.733 16.821 -8.114 1.00 0.00 O ATOM 0 H GLU A 86 -12.981 13.040 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.080 13.469 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.983 13.872 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.501 13.691 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.309 15.548 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.054 16.051 -7.712 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.621 10.743 -8.619 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.254 9.342 -8.503 1.00 0.00 C ATOM 1427 C PHE A 87 -10.816 8.776 -9.855 1.00 0.00 C ATOM 1428 O PHE A 87 -9.765 8.145 -9.957 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.500 8.591 -8.028 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.758 8.703 -6.524 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.040 9.582 -5.774 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.705 7.923 -5.937 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.280 9.685 -4.378 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.945 8.026 -4.541 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.227 8.905 -3.791 1.00 0.00 C ATOM 0 H PHE A 87 -12.590 10.951 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.422 9.232 -7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.368 8.973 -8.565 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.400 7.538 -8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.288 10.201 -6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.275 7.225 -6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.710 10.383 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.697 7.407 -4.075 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.409 8.983 -2.729 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.644 9.022 -10.860 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.355 8.545 -12.201 1.00 0.00 C ATOM 1447 C ARG A 88 -10.132 9.266 -12.770 1.00 0.00 C ATOM 1448 O ARG A 88 -9.627 8.899 -13.829 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.548 8.766 -13.133 1.00 0.00 C ATOM 1450 CG ARG A 88 -13.162 10.152 -12.919 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.950 10.599 -14.151 1.00 0.00 C ATOM 1452 NE ARG A 88 -13.019 11.023 -15.221 1.00 0.00 N ATOM 1453 CZ ARG A 88 -13.388 11.718 -16.306 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -14.670 12.071 -16.471 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -12.475 12.060 -17.225 1.00 0.00 N ATOM 0 H ARG A 88 -12.515 9.546 -10.772 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.152 7.476 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.228 8.662 -14.170 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.301 7.999 -12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.820 10.132 -12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.374 10.874 -12.706 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.578 9.783 -14.507 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.615 11.422 -13.889 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.035 10.770 -15.127 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.365 11.811 -15.771 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.951 12.600 -17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.499 11.791 -17.099 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.756 12.589 -18.051 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.690 10.280 -12.040 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.536 11.056 -12.458 1.00 0.00 C ATOM 1471 C GLU A 89 -7.369 10.833 -11.494 1.00 0.00 C ATOM 1472 O GLU A 89 -6.244 11.248 -11.769 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.883 12.543 -12.563 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.100 12.759 -13.464 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.319 14.248 -13.742 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.571 14.783 -14.589 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.229 14.817 -13.102 1.00 0.00 O ATOM 0 H GLU A 89 -10.111 10.582 -11.161 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.234 10.716 -13.449 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.085 12.944 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.030 13.092 -12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.960 12.227 -14.405 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.987 12.340 -12.990 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.676 10.177 -10.385 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.667 9.893 -9.379 1.00 0.00 C ATOM 1486 C ARG A 90 -6.838 8.471 -8.842 1.00 0.00 C ATOM 1487 O ARG A 90 -7.933 8.085 -8.434 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.754 10.884 -8.216 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.945 12.148 -8.511 1.00 0.00 C ATOM 1490 CD ARG A 90 -6.318 13.276 -7.546 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.183 14.215 -7.403 1.00 0.00 N ATOM 1492 CZ ARG A 90 -5.242 15.365 -6.717 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -6.380 15.724 -6.107 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -4.163 16.155 -6.640 1.00 0.00 N ATOM 0 H ARG A 90 -8.610 9.834 -10.161 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.690 9.991 -9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.796 11.149 -8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.383 10.415 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.880 11.930 -8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.125 12.468 -9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.195 13.807 -7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.582 12.861 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.301 13.972 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.201 15.122 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.425 16.599 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.297 15.881 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.208 17.030 -6.118 1.00 0.00 H new ATOM 1508 N MET A 91 -5.740 7.730 -8.859 1.00 0.00 N ATOM 1509 CA MET A 91 -5.754 6.359 -8.378 1.00 0.00 C ATOM 1510 C MET A 91 -4.640 6.124 -7.357 1.00 0.00 C ATOM 1511 O MET A 91 -3.594 6.770 -7.414 1.00 0.00 O ATOM 1512 CB MET A 91 -5.575 5.402 -9.559 1.00 0.00 C ATOM 1513 CG MET A 91 -4.617 4.264 -9.202 1.00 0.00 C ATOM 1514 SD MET A 91 -4.492 3.121 -10.567 1.00 0.00 S ATOM 1515 CE MET A 91 -4.926 1.600 -9.738 1.00 0.00 C ATOM 0 H MET A 91 -4.834 8.053 -9.199 1.00 0.00 H new ATOM 0 HA MET A 91 -6.711 6.175 -7.891 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.542 4.991 -9.848 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.191 5.949 -10.420 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.633 4.667 -8.963 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.973 3.744 -8.313 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.811 0.764 -10.428 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.271 1.454 -8.879 1.00 0.00 H new ATOM 0 HE3 MET A 91 -5.961 1.652 -9.400 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.901 5.197 -6.447 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.933 4.869 -5.414 1.00 0.00 C ATOM 1527 C LEU A 92 -3.121 3.648 -5.852 1.00 0.00 C ATOM 1528 O LEU A 92 -3.652 2.743 -6.494 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.629 4.692 -4.063 1.00 0.00 C ATOM 1530 CG LEU A 92 -5.090 5.977 -3.373 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -4.012 6.507 -2.425 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -5.517 7.028 -4.399 1.00 0.00 C ATOM 0 H LEU A 92 -5.769 4.663 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.229 5.690 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.497 4.048 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.949 4.167 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.966 5.744 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.365 7.421 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.798 5.758 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.104 6.720 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.840 7.931 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.675 7.264 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.340 6.639 -4.998 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.848 3.662 -5.487 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.957 2.567 -5.834 1.00 0.00 C ATOM 1546 C GLU A 93 -0.166 2.116 -4.604 1.00 0.00 C ATOM 1547 O GLU A 93 0.841 2.727 -4.251 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.019 2.964 -6.974 1.00 0.00 C ATOM 1549 CG GLU A 93 1.152 1.985 -7.088 1.00 0.00 C ATOM 1550 CD GLU A 93 1.816 2.080 -8.463 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.166 1.646 -9.438 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.958 2.586 -8.507 1.00 0.00 O ATOM 0 H GLU A 93 -1.412 4.414 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.561 1.729 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.572 2.986 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.360 3.972 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.886 2.198 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.798 0.968 -6.921 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.653 1.050 -3.985 1.00 0.00 N ATOM 1560 CA ILE A 94 -0.003 0.510 -2.803 1.00 0.00 C ATOM 1561 C ILE A 94 0.890 -0.664 -3.208 1.00 0.00 C ATOM 1562 O ILE A 94 0.449 -1.570 -3.913 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.042 0.154 -1.737 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.053 1.287 -1.556 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.366 -0.228 -0.419 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.122 1.249 -2.650 1.00 0.00 C ATOM 0 H ILE A 94 -1.490 0.546 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 94 0.644 1.260 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.597 -0.720 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.526 1.204 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.537 2.247 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.126 -0.476 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.281 -1.091 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.230 0.611 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.828 2.065 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.648 1.357 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.653 0.298 -2.607 1.00 0.00 H new ATOM 1578 N THR A 95 2.130 -0.610 -2.744 1.00 0.00 N ATOM 1579 CA THR A 95 3.089 -1.658 -3.049 1.00 0.00 C ATOM 1580 C THR A 95 3.781 -2.136 -1.771 1.00 0.00 C ATOM 1581 O THR A 95 4.146 -1.328 -0.919 1.00 0.00 O ATOM 1582 CB THR A 95 4.061 -1.118 -4.101 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.074 0.288 -3.872 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.519 -1.259 -5.525 1.00 0.00 C ATOM 0 H THR A 95 2.492 0.143 -2.159 1.00 0.00 H new ATOM 0 HA THR A 95 2.596 -2.538 -3.462 1.00 0.00 H new ATOM 0 HB THR A 95 5.012 -1.644 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.681 0.718 -4.510 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.247 -0.861 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.339 -2.312 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.585 -0.705 -5.615 1.00 0.00 H new ATOM 1592 N LEU A 96 3.942 -3.448 -1.679 1.00 0.00 N ATOM 1593 CA LEU A 96 4.584 -4.043 -0.520 1.00 0.00 C ATOM 1594 C LEU A 96 5.968 -4.560 -0.918 1.00 0.00 C ATOM 1595 O LEU A 96 6.105 -5.281 -1.905 1.00 0.00 O ATOM 1596 CB LEU A 96 3.683 -5.113 0.101 1.00 0.00 C ATOM 1597 CG LEU A 96 4.127 -5.657 1.461 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.205 -4.537 2.500 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.219 -6.800 1.917 1.00 0.00 C ATOM 0 H LEU A 96 3.639 -4.115 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 96 4.735 -3.295 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.681 -4.699 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.610 -5.948 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 96 5.131 -6.067 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.523 -4.950 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.924 -3.786 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.224 -4.075 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.556 -7.168 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.194 -6.438 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.258 -7.609 1.188 1.00 0.00 H new ATOM 1611 N TRP A 97 6.959 -4.172 -0.129 1.00 0.00 N ATOM 1612 CA TRP A 97 8.328 -4.587 -0.386 1.00 0.00 C ATOM 1613 C TRP A 97 8.892 -5.183 0.905 1.00 0.00 C ATOM 1614 O TRP A 97 8.236 -5.153 1.945 1.00 0.00 O ATOM 1615 CB TRP A 97 9.162 -3.422 -0.922 1.00 0.00 C ATOM 1616 CG TRP A 97 8.433 -2.554 -1.949 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.426 -1.696 -1.738 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.697 -2.495 -3.367 1.00 0.00 C ATOM 1619 NE1 TRP A 97 7.023 -1.091 -2.911 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.821 -1.592 -3.933 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.645 -3.182 -4.145 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.805 -1.292 -5.300 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.617 -2.872 -5.510 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.741 -1.965 -6.095 1.00 0.00 C ATOM 0 H TRP A 97 6.841 -3.574 0.689 1.00 0.00 H new ATOM 0 HA TRP A 97 8.361 -5.350 -1.164 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.471 -2.795 -0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 97 10.070 -3.818 -1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.985 -1.502 -0.771 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.277 -0.403 -3.010 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.340 -3.893 -3.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 7.109 -0.580 -5.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 10.325 -3.373 -6.153 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.782 -1.780 -7.158 1.00 0.00 H new ATOM 1635 N ASP A 98 10.102 -5.712 0.795 1.00 0.00 N ATOM 1636 CA ASP A 98 10.762 -6.314 1.941 1.00 0.00 C ATOM 1637 C ASP A 98 12.221 -5.856 1.983 1.00 0.00 C ATOM 1638 O ASP A 98 12.996 -6.159 1.077 1.00 0.00 O ATOM 1639 CB ASP A 98 10.748 -7.841 1.845 1.00 0.00 C ATOM 1640 CG ASP A 98 10.853 -8.401 0.425 1.00 0.00 C ATOM 1641 OD1 ASP A 98 10.234 -7.790 -0.473 1.00 0.00 O ATOM 1642 OD2 ASP A 98 11.550 -9.426 0.270 1.00 0.00 O ATOM 0 H ASP A 98 10.642 -5.736 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 98 10.228 -6.004 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.574 -8.235 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.828 -8.210 2.298 1.00 0.00 H new ATOM 1647 N GLN A 99 12.552 -5.134 3.043 1.00 0.00 N ATOM 1648 CA GLN A 99 13.904 -4.632 3.214 1.00 0.00 C ATOM 1649 C GLN A 99 14.892 -5.795 3.332 1.00 0.00 C ATOM 1650 O GLN A 99 15.170 -6.269 4.432 1.00 0.00 O ATOM 1651 CB GLN A 99 13.997 -3.710 4.432 1.00 0.00 C ATOM 1652 CG GLN A 99 14.848 -2.477 4.122 1.00 0.00 C ATOM 1653 CD GLN A 99 16.191 -2.539 4.852 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.381 -3.294 5.792 1.00 0.00 O ATOM 1655 NE2 GLN A 99 17.109 -1.707 4.370 1.00 0.00 N ATOM 0 H GLN A 99 11.907 -4.885 3.792 1.00 0.00 H new ATOM 0 HA GLN A 99 14.166 -4.045 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.997 -3.399 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.430 -4.253 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.017 -2.409 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.311 -1.576 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.884 -1.101 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.038 -1.674 4.790 1.00 0.00 H new ATOM 1809 N PHE A 109 10.642 -6.600 -3.222 1.00 0.00 N ATOM 1810 CA PHE A 109 9.271 -6.432 -3.674 1.00 0.00 C ATOM 1811 C PHE A 109 8.463 -7.714 -3.463 1.00 0.00 C ATOM 1812 O PHE A 109 8.713 -8.724 -4.117 1.00 0.00 O ATOM 1813 CB PHE A 109 9.329 -6.120 -5.171 1.00 0.00 C ATOM 1814 CG PHE A 109 7.956 -5.983 -5.831 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.231 -4.845 -5.663 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.460 -7.000 -6.587 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.956 -4.718 -6.276 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.186 -6.873 -7.200 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.461 -5.734 -7.031 1.00 0.00 C ATOM 0 HA PHE A 109 8.788 -5.634 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.885 -5.194 -5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.886 -6.910 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.625 -4.038 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.036 -7.904 -6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.380 -3.814 -6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.792 -7.680 -7.800 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.492 -5.637 -7.497 1.00 0.00 H new ATOM 1829 N LEU A 110 7.510 -7.630 -2.546 1.00 0.00 N ATOM 1830 CA LEU A 110 6.664 -8.771 -2.240 1.00 0.00 C ATOM 1831 C LEU A 110 5.480 -8.796 -3.209 1.00 0.00 C ATOM 1832 O LEU A 110 4.904 -9.853 -3.464 1.00 0.00 O ATOM 1833 CB LEU A 110 6.253 -8.753 -0.766 1.00 0.00 C ATOM 1834 CG LEU A 110 7.394 -8.834 0.250 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.879 -8.601 1.672 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.148 -10.158 0.123 1.00 0.00 C ATOM 0 H LEU A 110 7.305 -6.790 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 110 7.213 -9.702 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.690 -7.839 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.575 -9.588 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 110 8.105 -8.037 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.710 -8.664 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.423 -7.613 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.137 -9.360 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.954 -10.190 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.462 -10.986 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.567 -10.244 -0.880 1.00 0.00 H new ATOM 1848 N GLY A 111 5.151 -7.620 -3.722 1.00 0.00 N ATOM 1849 CA GLY A 111 4.046 -7.493 -4.657 1.00 0.00 C ATOM 1850 C GLY A 111 3.550 -6.048 -4.727 1.00 0.00 C ATOM 1851 O GLY A 111 4.102 -5.166 -4.072 1.00 0.00 O ATOM 0 H GLY A 111 5.631 -6.746 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.363 -7.821 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.229 -8.147 -4.351 1.00 0.00 H new ATOM 1855 N GLU A 112 2.513 -5.850 -5.528 1.00 0.00 N ATOM 1856 CA GLU A 112 1.935 -4.527 -5.692 1.00 0.00 C ATOM 1857 C GLU A 112 0.408 -4.615 -5.733 1.00 0.00 C ATOM 1858 O GLU A 112 -0.147 -5.566 -6.280 1.00 0.00 O ATOM 1859 CB GLU A 112 2.479 -3.844 -6.949 1.00 0.00 C ATOM 1860 CG GLU A 112 1.887 -4.470 -8.213 1.00 0.00 C ATOM 1861 CD GLU A 112 2.959 -4.649 -9.290 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.577 -3.625 -9.651 1.00 0.00 O ATOM 1863 OE2 GLU A 112 3.136 -5.807 -9.727 1.00 0.00 O ATOM 0 H GLU A 112 2.058 -6.584 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 112 2.221 -3.918 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.242 -2.780 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.565 -3.928 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.444 -5.436 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.085 -3.838 -8.595 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.226 -3.611 -5.147 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.678 -3.563 -5.110 1.00 0.00 C ATOM 1872 C ILE A 113 -2.155 -2.223 -5.674 1.00 0.00 C ATOM 1873 O ILE A 113 -1.853 -1.169 -5.117 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.187 -3.851 -3.696 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.633 -5.178 -3.173 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.716 -3.809 -3.645 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.185 -5.492 -1.781 1.00 0.00 C ATOM 0 H ILE A 113 0.239 -2.824 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.101 -4.344 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.820 -3.066 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.894 -5.982 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.545 -5.132 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.052 -4.017 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.063 -2.821 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.123 -4.559 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.776 -6.440 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.902 -4.698 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.272 -5.561 -1.828 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.891 -2.308 -6.772 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.412 -1.115 -7.417 1.00 0.00 C ATOM 1891 C LEU A 114 -4.908 -0.992 -7.121 1.00 0.00 C ATOM 1892 O LEU A 114 -5.644 -1.974 -7.204 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.080 -1.126 -8.911 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.747 -0.487 -9.306 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -1.965 0.887 -9.943 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.795 -0.420 -8.111 1.00 0.00 C ATOM 0 H LEU A 114 -3.139 -3.184 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.932 -0.223 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.081 -2.160 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.879 -0.611 -9.444 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.275 -1.119 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.002 1.319 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.580 0.780 -10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.469 1.542 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.145 0.038 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.247 0.177 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.603 -1.427 -7.742 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.313 0.223 -6.781 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.708 0.487 -6.471 1.00 0.00 C ATOM 1910 C ILE A 115 -7.153 1.761 -7.191 1.00 0.00 C ATOM 1911 O ILE A 115 -6.504 2.800 -7.081 1.00 0.00 O ATOM 1912 CB ILE A 115 -6.922 0.530 -4.957 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.845 -0.874 -4.352 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.236 1.232 -4.608 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.030 -0.869 -3.057 1.00 0.00 C ATOM 0 H ILE A 115 -4.700 1.035 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.339 -0.323 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.116 1.116 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.851 -1.243 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.391 -1.558 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.363 1.249 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.214 2.254 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.068 0.694 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.991 -1.879 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.018 -0.522 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.500 -0.202 -2.334 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.258 1.640 -7.913 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.797 2.769 -8.651 1.00 0.00 C ATOM 1929 C GLU A 116 -9.909 3.446 -7.847 1.00 0.00 C ATOM 1930 O GLU A 116 -10.999 2.895 -7.702 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.304 2.333 -10.027 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.369 1.296 -10.652 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.673 1.109 -12.140 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.536 0.256 -12.440 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.036 1.823 -12.944 1.00 0.00 O ATOM 0 H GLU A 116 -8.794 0.777 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.996 3.492 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.306 1.915 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.380 3.201 -10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.333 1.612 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.477 0.344 -10.133 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.595 4.632 -7.346 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.554 5.390 -6.561 1.00 0.00 C ATOM 1944 C LEU A 117 -11.912 5.373 -7.266 1.00 0.00 C ATOM 1945 O LEU A 117 -12.953 5.480 -6.619 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.024 6.798 -6.281 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.663 6.877 -5.587 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.398 8.288 -5.059 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.548 5.822 -4.485 1.00 0.00 C ATOM 0 H LEU A 117 -8.690 5.086 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.696 4.928 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -9.959 7.335 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.754 7.324 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.890 6.659 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.424 8.317 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.409 8.995 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.172 8.559 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.571 5.900 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.329 5.985 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.662 4.829 -4.919 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.857 5.237 -8.583 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.070 5.204 -9.383 1.00 0.00 C ATOM 1963 C GLU A 118 -13.976 4.059 -8.927 1.00 0.00 C ATOM 1964 O GLU A 118 -15.195 4.210 -8.873 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.741 5.084 -10.872 1.00 0.00 C ATOM 1966 CG GLU A 118 -13.978 5.354 -11.730 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.848 4.692 -13.104 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -13.457 3.505 -13.127 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.141 5.388 -14.099 1.00 0.00 O ATOM 0 H GLU A 118 -10.992 5.148 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.604 6.143 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.952 5.790 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.358 4.086 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.866 4.976 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.113 6.429 -11.852 1.00 0.00 H new ATOM 1976 N THR A 119 -13.344 2.938 -8.611 1.00 0.00 N ATOM 1977 CA THR A 119 -14.078 1.767 -8.161 1.00 0.00 C ATOM 1978 C THR A 119 -13.541 1.286 -6.812 1.00 0.00 C ATOM 1979 O THR A 119 -13.577 0.093 -6.514 1.00 0.00 O ATOM 1980 CB THR A 119 -13.995 0.706 -9.261 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.602 0.427 -9.370 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.373 1.258 -10.637 1.00 0.00 C ATOM 0 H THR A 119 -12.332 2.816 -8.658 1.00 0.00 H new ATOM 0 HA THR A 119 -15.129 2.000 -7.992 1.00 0.00 H new ATOM 0 HB THR A 119 -14.652 -0.127 -9.011 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.458 -0.253 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.297 0.465 -11.381 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.396 1.634 -10.610 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.695 2.070 -10.902 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.055 2.240 -6.031 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.511 1.929 -4.720 1.00 0.00 C ATOM 1992 C ALA A 120 -13.652 1.855 -3.703 1.00 0.00 C ATOM 1993 O ALA A 120 -14.247 2.875 -3.359 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.460 2.974 -4.342 1.00 0.00 C ATOM 0 H ALA A 120 -13.027 3.228 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.016 0.958 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.052 2.741 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.657 2.966 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.921 3.962 -4.319 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.922 0.639 -3.252 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.981 0.419 -2.282 1.00 0.00 C ATOM 2002 C LEU A 121 -14.576 1.038 -0.942 1.00 0.00 C ATOM 2003 O LEU A 121 -13.847 0.423 -0.166 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.326 -1.069 -2.193 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.152 -2.015 -1.931 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.809 -2.063 -0.441 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.433 -3.407 -2.501 1.00 0.00 C ATOM 0 H LEU A 121 -13.426 -0.204 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.898 0.916 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -16.060 -1.205 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -15.806 -1.367 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.276 -1.626 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.972 -2.742 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -13.537 -1.065 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -14.674 -2.416 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.583 -4.060 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.326 -3.819 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.590 -3.335 -3.577 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.067 2.247 -0.713 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.765 2.956 0.519 1.00 0.00 C ATOM 2021 C LEU A 122 -15.989 2.919 1.437 1.00 0.00 C ATOM 2022 O LEU A 122 -17.081 3.321 1.038 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.267 4.370 0.216 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.202 4.486 -0.877 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.408 5.752 -1.710 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -11.795 4.414 -0.281 1.00 0.00 C ATOM 0 H LEU A 122 -15.672 2.754 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.951 2.464 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.122 4.981 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.865 4.797 1.135 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.310 3.636 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.638 5.811 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.390 5.722 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.342 6.627 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.057 4.499 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -11.658 5.230 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.666 3.461 0.233 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.766 2.432 2.649 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.838 2.337 3.626 1.00 0.00 C ATOM 2040 C ASP A 123 -16.289 1.735 4.921 1.00 0.00 C ATOM 2041 O ASP A 123 -16.914 0.859 5.516 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.963 1.431 3.123 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.373 1.863 3.533 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.463 2.722 4.436 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -20.328 1.323 2.934 1.00 0.00 O ATOM 0 H ASP A 123 -14.859 2.099 2.977 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.231 3.340 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.915 1.387 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.787 0.420 3.491 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.126 2.229 5.319 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.486 1.751 6.533 1.00 0.00 C ATOM 2052 C ASP A 124 -14.492 0.221 6.539 1.00 0.00 C ATOM 2053 O ASP A 124 -14.428 -0.400 7.599 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.235 2.231 7.777 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.712 1.674 9.103 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.530 1.269 9.121 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -15.507 1.666 10.068 1.00 0.00 O ATOM 0 H ASP A 124 -14.610 2.955 4.822 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.468 2.140 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.188 3.319 7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -16.286 1.961 7.676 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.570 -0.343 5.342 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.585 -1.789 5.196 1.00 0.00 C ATOM 2064 C GLU A 125 -13.292 -2.269 4.534 1.00 0.00 C ATOM 2065 O GLU A 125 -13.129 -2.148 3.321 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.810 -2.247 4.402 1.00 0.00 C ATOM 2067 CG GLU A 125 -17.032 -2.388 5.312 1.00 0.00 C ATOM 2068 CD GLU A 125 -18.326 -2.136 4.536 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -18.369 -2.545 3.356 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -19.243 -1.538 5.140 1.00 0.00 O ATOM 0 H GLU A 125 -14.623 0.175 4.465 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.649 -2.234 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -16.023 -1.530 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.599 -3.201 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.053 -3.388 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.957 -1.683 6.140 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.382 -2.820 5.382 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.109 -3.319 4.893 1.00 0.00 C ATOM 2079 C PRO A 126 -11.286 -4.652 4.163 1.00 0.00 C ATOM 2080 O PRO A 126 -12.001 -5.533 4.638 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.229 -3.430 6.127 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.176 -3.434 7.316 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.541 -2.980 6.825 1.00 0.00 C ATOM 0 HA PRO A 126 -10.655 -2.659 4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.632 -4.342 6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.532 -2.594 6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -11.239 -4.432 7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -10.810 -2.768 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.311 -3.715 7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -12.840 -2.044 7.297 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.624 -4.758 3.020 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.700 -5.968 2.221 1.00 0.00 C ATOM 2093 C HIS A 127 -9.288 -6.480 1.930 1.00 0.00 C ATOM 2094 O HIS A 127 -8.343 -5.697 1.853 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.518 -5.730 0.950 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.989 -6.033 1.101 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.865 -5.189 1.762 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.730 -7.093 0.668 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -15.074 -5.728 1.724 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.989 -6.908 1.046 1.00 0.00 N ATOM 0 H HIS A 127 -10.032 -4.025 2.629 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.223 -6.744 2.779 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.401 -4.690 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -11.111 -6.346 0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.356 -7.940 0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.970 -5.307 2.155 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.765 -7.544 0.860 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.189 -7.793 1.776 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.908 -8.419 1.495 1.00 0.00 C ATOM 2110 C TRP A 128 -7.697 -8.403 -0.020 1.00 0.00 C ATOM 2111 O TRP A 128 -8.343 -9.155 -0.748 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.842 -9.825 2.094 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.608 -9.848 3.605 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.519 -9.978 4.580 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.338 -9.731 4.281 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -7.932 -9.954 5.828 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.563 -9.799 5.640 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.042 -9.574 3.760 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.539 -9.718 6.592 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.029 -9.495 4.724 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.240 -9.561 6.096 1.00 0.00 C ATOM 0 H TRP A 128 -9.975 -8.440 1.841 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.096 -7.865 1.965 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.773 -10.347 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.042 -10.380 1.604 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.580 -10.088 4.410 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.413 -10.035 6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -4.843 -9.519 2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -5.741 -9.774 7.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.013 -9.374 4.377 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.405 -9.491 6.777 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.789 -7.540 -0.450 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.484 -7.417 -1.865 1.00 0.00 C ATOM 2134 C TYR A 129 -5.343 -8.355 -2.264 1.00 0.00 C ATOM 2135 O TYR A 129 -4.340 -8.453 -1.559 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.035 -5.969 -2.076 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.103 -4.930 -1.729 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.209 -4.780 -2.541 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -6.960 -4.142 -0.605 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.214 -3.802 -2.215 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -7.965 -3.164 -0.279 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.043 -3.042 -1.100 1.00 0.00 C ATOM 2143 OH TYR A 129 -9.992 -2.118 -0.792 1.00 0.00 O ATOM 0 H TYR A 129 -6.254 -6.919 0.157 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.354 -7.677 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.150 -5.782 -1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.741 -5.839 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.321 -5.396 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.094 -4.259 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.084 -3.675 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.865 -2.541 0.598 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.029 -1.999 0.180 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.534 -9.020 -3.394 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.533 -9.947 -3.895 1.00 0.00 C ATOM 2155 C LYS A 130 -3.326 -9.160 -4.406 1.00 0.00 C ATOM 2156 O LYS A 130 -3.482 -8.101 -5.013 1.00 0.00 O ATOM 2157 CB LYS A 130 -5.145 -10.883 -4.939 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.460 -12.251 -4.333 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.231 -13.126 -5.323 1.00 0.00 C ATOM 2160 CE LYS A 130 -7.600 -13.514 -4.762 1.00 0.00 C ATOM 2161 NZ LYS A 130 -8.056 -14.795 -5.347 1.00 0.00 N ATOM 0 H LYS A 130 -6.367 -8.935 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.176 -10.593 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.057 -10.440 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.455 -11.002 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.533 -12.749 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -6.046 -12.123 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.358 -12.591 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.656 -14.026 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.543 -13.603 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.325 -12.729 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.987 -15.044 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.130 -14.698 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.372 -15.544 -5.117 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.148 -9.707 -4.143 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.914 -9.069 -4.569 1.00 0.00 C ATOM 2177 C LEU A 131 -0.502 -9.625 -5.933 1.00 0.00 C ATOM 2178 O LEU A 131 -0.867 -10.745 -6.286 1.00 0.00 O ATOM 2179 CB LEU A 131 0.164 -9.216 -3.493 1.00 0.00 C ATOM 2180 CG LEU A 131 0.004 -8.328 -2.257 1.00 0.00 C ATOM 2181 CD1 LEU A 131 -0.026 -9.168 -0.979 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.091 -7.252 -2.210 1.00 0.00 C ATOM 0 H LEU A 131 -2.022 -10.585 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.063 -7.996 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.185 -10.256 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.132 -9.003 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.955 -7.814 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.140 -8.513 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.864 -9.864 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.905 -9.727 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.954 -6.635 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.072 -7.727 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.023 -6.627 -3.100 1.00 0.00 H new ATOM 2194 N GLN A 132 0.252 -8.817 -6.663 1.00 0.00 N ATOM 2195 CA GLN A 132 0.718 -9.214 -7.981 1.00 0.00 C ATOM 2196 C GLN A 132 2.247 -9.192 -8.032 1.00 0.00 C ATOM 2197 O GLN A 132 2.860 -8.131 -7.924 1.00 0.00 O ATOM 2198 CB GLN A 132 0.120 -8.318 -9.067 1.00 0.00 C ATOM 2199 CG GLN A 132 -1.409 -8.337 -9.013 1.00 0.00 C ATOM 2200 CD GLN A 132 -1.995 -8.974 -10.274 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.496 -8.305 -11.163 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -1.903 -10.300 -10.303 1.00 0.00 N ATOM 0 H GLN A 132 0.552 -7.888 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 132 0.382 -10.233 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.479 -7.297 -8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.457 -8.654 -10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.738 -8.892 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.785 -7.319 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -1.471 -10.798 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.264 -10.819 -11.104 1.00 0.00 H new