USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 938 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 84 SER OG : rot -36:sc= 1.4 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0) USER MOD Set 2.1: A 73 GLN : amide:sc= -9.38! C(o=-18!,f=-18!) USER MOD Set 2.2: A 118 ASN : amide:sc= -8.97! C(o=-18!,f=-20!) USER MOD Set 3.1: A 14 GLN : amide:sc= -5.66! C(o=-11!,f=-13!) USER MOD Set 3.2: A 62 GLN : amide:sc= -5.42! C(o=-11!,f=-10!) USER MOD Set 4.1: A 7 THR OG1 : rot 26:sc= -3.96! USER MOD Set 4.2: A 8 SER OG : rot 118:sc= -3.67! USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0119 (180deg=-0.18) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -98:sc= 0.0845 USER MOD Single : A 42 ASN : amide:sc= -0.304 K(o=-0.3,f=-3.9!) USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.2) USER MOD Single : A 49 GLN : amide:sc= -3.5! C(o=-3.5!,f=-7.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 142:sc=-0.00923 (180deg=-0.618) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 139:sc= 1.16 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0657) USER MOD Single : A 71 SER OG : rot 75:sc= -0.142 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0613) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00462 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.209) USER MOD Single : A 101 ASN : amide:sc= -0.782 K(o=-0.78,f=0.52) USER MOD Single : A 104 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.019 K(o=-0.019,f=-1.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 112 SER OG : rot 180:sc= -0.252 USER MOD Single : A 116 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 9.851 -15.423 -5.549 1.00 0.00 N ATOM 83 CA THR A 7 10.731 -15.025 -4.400 1.00 0.00 C ATOM 84 C THR A 7 11.127 -13.543 -4.580 1.00 0.00 C ATOM 85 O THR A 7 11.508 -13.172 -5.662 1.00 0.00 O ATOM 86 CB THR A 7 11.935 -16.000 -4.292 1.00 0.00 C ATOM 87 OG1 THR A 7 12.275 -16.172 -2.923 1.00 0.00 O ATOM 88 CG2 THR A 7 13.174 -15.452 -5.025 1.00 0.00 C ATOM 0 HA THR A 7 10.208 -15.103 -3.447 1.00 0.00 H new ATOM 0 HB THR A 7 11.641 -16.945 -4.750 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.487 -16.001 -2.366 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.997 -16.160 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.939 -15.310 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.464 -14.497 -4.586 1.00 0.00 H new ATOM 96 N SER A 8 11.201 -12.706 -3.541 1.00 0.00 N ATOM 97 CA SER A 8 10.747 -13.052 -2.149 1.00 0.00 C ATOM 98 C SER A 8 10.824 -11.762 -1.361 1.00 0.00 C ATOM 99 O SER A 8 11.879 -11.269 -1.027 1.00 0.00 O ATOM 100 CB SER A 8 11.656 -14.126 -1.536 1.00 0.00 C ATOM 101 OG SER A 8 11.032 -15.399 -1.625 1.00 0.00 O ATOM 0 H SER A 8 11.576 -11.761 -3.620 1.00 0.00 H new ATOM 0 HA SER A 8 9.737 -13.461 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.614 -14.144 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.864 -13.886 -0.493 1.00 0.00 H new ATOM 0 HG SER A 8 11.578 -15.993 -2.182 1.00 0.00 H new ATOM 107 N TRP A 9 9.686 -11.337 -0.922 1.00 0.00 N ATOM 108 CA TRP A 9 9.564 -10.217 -0.018 1.00 0.00 C ATOM 109 C TRP A 9 8.067 -10.129 0.200 1.00 0.00 C ATOM 110 O TRP A 9 7.307 -10.193 -0.712 1.00 0.00 O ATOM 111 CB TRP A 9 10.226 -8.953 -0.637 1.00 0.00 C ATOM 112 CG TRP A 9 9.371 -8.537 -1.815 1.00 0.00 C ATOM 113 CD1 TRP A 9 9.074 -9.358 -2.833 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.687 -7.283 -2.106 1.00 0.00 C ATOM 115 NE1 TRP A 9 8.209 -8.754 -3.703 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.955 -7.448 -3.327 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.616 -6.032 -1.449 1.00 0.00 C ATOM 118 CZ2 TRP A 9 7.185 -6.407 -3.863 1.00 0.00 C ATOM 119 CZ3 TRP A 9 7.844 -4.982 -1.992 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.133 -5.168 -3.195 1.00 0.00 C ATOM 0 H TRP A 9 8.793 -11.758 -1.179 1.00 0.00 H new ATOM 0 HA TRP A 9 10.082 -10.320 0.936 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.287 -8.150 0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.245 -9.169 -0.958 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.464 -10.358 -2.950 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.804 -9.208 -4.522 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.156 -5.879 -0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.636 -6.554 -4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 7.798 -4.031 -1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.547 -4.359 -3.605 1.00 0.00 H new ATOM 131 N ASP A 10 7.633 -9.989 1.413 1.00 0.00 N ATOM 132 CA ASP A 10 6.171 -9.933 1.655 1.00 0.00 C ATOM 133 C ASP A 10 5.720 -8.490 1.804 1.00 0.00 C ATOM 134 O ASP A 10 6.153 -7.803 2.708 1.00 0.00 O ATOM 135 CB ASP A 10 5.825 -10.807 2.901 1.00 0.00 C ATOM 136 CG ASP A 10 4.331 -11.206 3.010 1.00 0.00 C ATOM 137 OD1 ASP A 10 3.467 -10.408 2.684 1.00 0.00 O ATOM 138 OD2 ASP A 10 4.082 -12.343 3.372 1.00 0.00 O ATOM 0 H ASP A 10 8.221 -9.911 2.243 1.00 0.00 H new ATOM 0 HA ASP A 10 5.628 -10.342 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.429 -11.714 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.110 -10.263 3.801 1.00 0.00 H new ATOM 143 N PHE A 11 4.816 -8.030 1.005 1.00 0.00 N ATOM 144 CA PHE A 11 4.351 -6.624 1.227 1.00 0.00 C ATOM 145 C PHE A 11 2.813 -6.642 1.122 1.00 0.00 C ATOM 146 O PHE A 11 2.281 -6.043 0.245 1.00 0.00 O ATOM 147 CB PHE A 11 4.910 -5.696 0.109 1.00 0.00 C ATOM 148 CG PHE A 11 5.416 -4.360 0.637 1.00 0.00 C ATOM 149 CD1 PHE A 11 4.494 -3.312 0.847 1.00 0.00 C ATOM 150 CD2 PHE A 11 6.793 -4.121 0.868 1.00 0.00 C ATOM 151 CE1 PHE A 11 4.934 -2.052 1.288 1.00 0.00 C ATOM 152 CE2 PHE A 11 7.227 -2.851 1.297 1.00 0.00 C ATOM 153 CZ PHE A 11 6.299 -1.821 1.510 1.00 0.00 C ATOM 0 H PHE A 11 4.384 -8.535 0.231 1.00 0.00 H new ATOM 0 HA PHE A 11 4.691 -6.257 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.723 -6.207 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.129 -5.515 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.442 -3.480 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.511 -4.913 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.219 -1.260 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.279 -2.670 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.636 -0.851 1.845 1.00 0.00 H new ATOM 163 N GLY A 12 2.070 -7.243 2.023 1.00 0.00 N ATOM 164 CA GLY A 12 0.574 -7.188 1.837 1.00 0.00 C ATOM 165 C GLY A 12 0.072 -5.748 1.680 1.00 0.00 C ATOM 166 O GLY A 12 -0.631 -5.411 0.737 1.00 0.00 O ATOM 0 H GLY A 12 2.408 -7.747 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.296 -7.768 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.084 -7.652 2.693 1.00 0.00 H new ATOM 170 N PRO A 13 0.488 -4.881 2.563 1.00 0.00 N ATOM 171 CA PRO A 13 0.087 -3.457 2.537 1.00 0.00 C ATOM 172 C PRO A 13 0.031 -2.916 1.113 1.00 0.00 C ATOM 173 O PRO A 13 -0.890 -2.216 0.740 1.00 0.00 O ATOM 174 CB PRO A 13 1.175 -2.755 3.361 1.00 0.00 C ATOM 175 CG PRO A 13 1.601 -3.768 4.371 1.00 0.00 C ATOM 176 CD PRO A 13 1.407 -5.151 3.727 1.00 0.00 C ATOM 0 HA PRO A 13 -0.913 -3.298 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.011 -2.447 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.789 -1.856 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.643 -3.617 4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.007 -3.679 5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.355 -5.575 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.967 -5.860 4.428 1.00 0.00 H new ATOM 184 N GLN A 14 1.011 -3.224 0.305 1.00 0.00 N ATOM 185 CA GLN A 14 0.985 -2.703 -1.078 1.00 0.00 C ATOM 186 C GLN A 14 -0.218 -3.287 -1.816 1.00 0.00 C ATOM 187 O GLN A 14 -0.845 -2.589 -2.558 1.00 0.00 O ATOM 188 CB GLN A 14 2.300 -3.027 -1.826 1.00 0.00 C ATOM 189 CG GLN A 14 3.334 -1.897 -1.634 1.00 0.00 C ATOM 190 CD GLN A 14 4.749 -2.413 -1.904 1.00 0.00 C ATOM 191 OE1 GLN A 14 4.948 -3.595 -2.089 1.00 0.00 O ATOM 192 NE2 GLN A 14 5.742 -1.569 -1.921 1.00 0.00 N ATOM 0 H GLN A 14 1.814 -3.806 0.545 1.00 0.00 H new ATOM 0 HA GLN A 14 0.893 -1.617 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.710 -3.968 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.095 -3.162 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.107 -1.071 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.271 -1.507 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.570 -0.576 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.691 -1.902 -2.090 1.00 0.00 H new ATOM 201 N ALA A 15 -0.562 -4.537 -1.633 1.00 0.00 N ATOM 202 CA ALA A 15 -1.739 -5.046 -2.390 1.00 0.00 C ATOM 203 C ALA A 15 -2.966 -4.331 -1.869 1.00 0.00 C ATOM 204 O ALA A 15 -3.853 -3.985 -2.622 1.00 0.00 O ATOM 205 CB ALA A 15 -1.891 -6.567 -2.275 1.00 0.00 C ATOM 0 H ALA A 15 -0.098 -5.203 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.602 -4.843 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.763 -6.890 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.999 -7.053 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.019 -6.842 -1.228 1.00 0.00 H new ATOM 211 N PHE A 16 -3.006 -4.030 -0.600 1.00 0.00 N ATOM 212 CA PHE A 16 -4.184 -3.315 -0.078 1.00 0.00 C ATOM 213 C PHE A 16 -4.146 -1.973 -0.780 1.00 0.00 C ATOM 214 O PHE A 16 -5.110 -1.500 -1.309 1.00 0.00 O ATOM 215 CB PHE A 16 -4.069 -3.157 1.456 1.00 0.00 C ATOM 216 CG PHE A 16 -4.783 -4.290 2.176 1.00 0.00 C ATOM 217 CD1 PHE A 16 -6.163 -4.482 1.988 1.00 0.00 C ATOM 218 CD2 PHE A 16 -4.064 -5.150 3.032 1.00 0.00 C ATOM 219 CE1 PHE A 16 -6.827 -5.531 2.657 1.00 0.00 C ATOM 220 CE2 PHE A 16 -4.730 -6.198 3.700 1.00 0.00 C ATOM 221 CZ PHE A 16 -6.109 -6.387 3.511 1.00 0.00 C ATOM 0 H PHE A 16 -2.281 -4.248 0.083 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.122 -3.840 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.018 -3.142 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.497 -2.202 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.715 -3.826 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.003 -5.006 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.887 -5.677 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.180 -6.855 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.618 -7.191 4.022 1.00 0.00 H new ATOM 231 N LYS A 17 -2.999 -1.385 -0.851 1.00 0.00 N ATOM 232 CA LYS A 17 -2.905 -0.073 -1.526 1.00 0.00 C ATOM 233 C LYS A 17 -3.412 -0.189 -2.974 1.00 0.00 C ATOM 234 O LYS A 17 -4.221 0.612 -3.390 1.00 0.00 O ATOM 235 CB LYS A 17 -1.452 0.426 -1.446 1.00 0.00 C ATOM 236 CG LYS A 17 -1.060 0.885 -0.015 1.00 0.00 C ATOM 237 CD LYS A 17 0.410 1.370 0.112 1.00 0.00 C ATOM 238 CE LYS A 17 0.668 1.933 1.536 1.00 0.00 C ATOM 239 NZ LYS A 17 0.494 0.863 2.558 1.00 0.00 N ATOM 0 H LYS A 17 -2.125 -1.751 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.539 0.661 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.780 -0.370 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.317 1.256 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.726 1.692 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.220 0.059 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.092 0.544 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.612 2.139 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.677 2.340 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.020 2.754 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.847 1.200 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.515 0.623 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.028 0.018 2.270 1.00 0.00 H new ATOM 253 N LEU A 18 -3.008 -1.170 -3.759 1.00 0.00 N ATOM 254 CA LEU A 18 -3.546 -1.222 -5.149 1.00 0.00 C ATOM 255 C LEU A 18 -4.984 -1.701 -5.019 1.00 0.00 C ATOM 256 O LEU A 18 -5.884 -1.108 -5.558 1.00 0.00 O ATOM 257 CB LEU A 18 -2.740 -2.209 -6.045 1.00 0.00 C ATOM 258 CG LEU A 18 -3.210 -2.191 -7.514 1.00 0.00 C ATOM 259 CD1 LEU A 18 -2.977 -0.809 -8.147 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.497 -3.281 -8.329 1.00 0.00 C ATOM 0 H LEU A 18 -2.353 -1.908 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.474 -0.243 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.682 -1.952 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.839 -3.219 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.280 -2.398 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.316 -0.821 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.535 -0.055 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.914 -0.569 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.844 -3.249 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.421 -3.110 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.719 -4.259 -7.902 1.00 0.00 H new ATOM 272 N LEU A 19 -5.204 -2.752 -4.283 1.00 0.00 N ATOM 273 CA LEU A 19 -6.581 -3.265 -4.147 1.00 0.00 C ATOM 274 C LEU A 19 -7.527 -2.210 -3.491 1.00 0.00 C ATOM 275 O LEU A 19 -8.654 -2.045 -3.965 1.00 0.00 O ATOM 276 CB LEU A 19 -6.548 -4.622 -3.405 1.00 0.00 C ATOM 277 CG LEU A 19 -5.733 -5.705 -4.147 1.00 0.00 C ATOM 278 CD1 LEU A 19 -5.581 -7.019 -3.323 1.00 0.00 C ATOM 279 CD2 LEU A 19 -6.465 -6.044 -5.454 1.00 0.00 C ATOM 0 H LEU A 19 -4.489 -3.272 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.007 -3.444 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.124 -4.475 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.569 -4.977 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.734 -5.305 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.000 -7.742 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.070 -6.803 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.567 -7.432 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.907 -6.808 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.463 -6.417 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.545 -5.148 -6.069 1.00 0.00 H new ATOM 291 N SER A 20 -7.189 -1.505 -2.403 1.00 0.00 N ATOM 292 CA SER A 20 -8.267 -0.554 -1.900 1.00 0.00 C ATOM 293 C SER A 20 -8.453 0.639 -2.880 1.00 0.00 C ATOM 294 O SER A 20 -9.554 1.174 -3.025 1.00 0.00 O ATOM 295 CB SER A 20 -7.990 -0.051 -0.471 1.00 0.00 C ATOM 296 OG SER A 20 -9.190 0.468 0.087 1.00 0.00 O ATOM 0 H SER A 20 -6.308 -1.538 -1.890 1.00 0.00 H new ATOM 0 HA SER A 20 -9.196 -1.122 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.611 -0.866 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.220 0.720 -0.488 1.00 0.00 H new ATOM 0 HG SER A 20 -9.016 0.787 0.997 1.00 0.00 H new ATOM 302 N ALA A 21 -7.424 1.091 -3.554 1.00 0.00 N ATOM 303 CA ALA A 21 -7.632 2.260 -4.472 1.00 0.00 C ATOM 304 C ALA A 21 -8.626 1.916 -5.597 1.00 0.00 C ATOM 305 O ALA A 21 -9.510 2.694 -5.890 1.00 0.00 O ATOM 306 CB ALA A 21 -6.306 2.735 -5.080 1.00 0.00 C ATOM 0 H ALA A 21 -6.476 0.717 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.049 3.068 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.491 3.583 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.628 3.038 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.856 1.923 -5.650 1.00 0.00 H new ATOM 312 N VAL A 22 -8.515 0.768 -6.228 1.00 0.00 N ATOM 313 CA VAL A 22 -9.492 0.430 -7.321 1.00 0.00 C ATOM 314 C VAL A 22 -10.877 0.353 -6.685 1.00 0.00 C ATOM 315 O VAL A 22 -11.866 0.737 -7.265 1.00 0.00 O ATOM 316 CB VAL A 22 -9.066 -0.920 -7.989 1.00 0.00 C ATOM 317 CG1 VAL A 22 -7.790 -0.794 -8.831 1.00 0.00 C ATOM 318 CG2 VAL A 22 -8.863 -2.036 -6.932 1.00 0.00 C ATOM 0 H VAL A 22 -7.804 0.061 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.507 1.185 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.887 -1.187 -8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.545 -1.762 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.950 -0.066 -9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.967 -0.464 -8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.568 -2.960 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.083 -1.736 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.795 -2.198 -6.390 1.00 0.00 H new ATOM 328 N ASP A 23 -10.919 -0.113 -5.490 1.00 0.00 N ATOM 329 CA ASP A 23 -12.205 -0.233 -4.763 1.00 0.00 C ATOM 330 C ASP A 23 -12.805 1.161 -4.583 1.00 0.00 C ATOM 331 O ASP A 23 -13.941 1.398 -4.941 1.00 0.00 O ATOM 332 CB ASP A 23 -11.965 -0.874 -3.394 1.00 0.00 C ATOM 333 CG ASP A 23 -13.307 -1.229 -2.751 1.00 0.00 C ATOM 334 OD1 ASP A 23 -14.322 -0.767 -3.247 1.00 0.00 O ATOM 335 OD2 ASP A 23 -13.296 -1.956 -1.771 1.00 0.00 O ATOM 0 H ASP A 23 -10.102 -0.426 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.893 -0.859 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.354 -1.770 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.413 -0.188 -2.752 1.00 0.00 H new ATOM 340 N ILE A 24 -12.061 2.111 -4.053 1.00 0.00 N ATOM 341 CA ILE A 24 -12.671 3.470 -3.886 1.00 0.00 C ATOM 342 C ILE A 24 -13.020 3.995 -5.291 1.00 0.00 C ATOM 343 O ILE A 24 -14.085 4.519 -5.533 1.00 0.00 O ATOM 344 CB ILE A 24 -11.697 4.417 -3.114 1.00 0.00 C ATOM 345 CG1 ILE A 24 -11.299 3.774 -1.773 1.00 0.00 C ATOM 346 CG2 ILE A 24 -12.333 5.791 -2.829 1.00 0.00 C ATOM 347 CD1 ILE A 24 -12.553 3.430 -0.958 1.00 0.00 C ATOM 0 H ILE A 24 -11.095 2.010 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.580 3.424 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.822 4.565 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.715 2.872 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.665 4.457 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.621 6.417 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.599 6.271 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.230 5.658 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.259 2.976 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.121 4.340 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.171 2.730 -1.520 1.00 0.00 H new ATOM 359 N LEU A 25 -12.118 3.808 -6.221 1.00 0.00 N ATOM 360 CA LEU A 25 -12.348 4.247 -7.629 1.00 0.00 C ATOM 361 C LEU A 25 -13.295 3.240 -8.265 1.00 0.00 C ATOM 362 O LEU A 25 -13.651 3.339 -9.421 1.00 0.00 O ATOM 363 CB LEU A 25 -10.999 4.281 -8.369 1.00 0.00 C ATOM 364 CG LEU A 25 -10.065 5.332 -7.726 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.690 5.306 -8.400 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.673 6.734 -7.883 1.00 0.00 C ATOM 0 H LEU A 25 -11.215 3.361 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.784 5.245 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.531 3.297 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.158 4.520 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.952 5.094 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.044 6.051 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.246 4.317 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.800 5.531 -9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.011 7.471 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.795 6.961 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.645 6.766 -7.390 1.00 0.00 H new ATOM 378 N GLY A 26 -13.696 2.256 -7.492 1.00 0.00 N ATOM 379 CA GLY A 26 -14.624 1.203 -7.998 1.00 0.00 C ATOM 380 C GLY A 26 -14.215 0.781 -9.412 1.00 0.00 C ATOM 381 O GLY A 26 -14.998 0.862 -10.327 1.00 0.00 O ATOM 0 H GLY A 26 -13.413 2.140 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.606 0.340 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.647 1.580 -8.003 1.00 0.00 H new ATOM 385 N GLU A 27 -12.989 0.325 -9.558 1.00 0.00 N ATOM 386 CA GLU A 27 -12.441 -0.136 -10.888 1.00 0.00 C ATOM 387 C GLU A 27 -12.767 0.841 -12.049 1.00 0.00 C ATOM 388 O GLU A 27 -12.568 0.494 -13.196 1.00 0.00 O ATOM 389 CB GLU A 27 -12.987 -1.522 -11.287 1.00 0.00 C ATOM 390 CG GLU A 27 -12.488 -2.654 -10.357 1.00 0.00 C ATOM 391 CD GLU A 27 -13.095 -3.995 -10.797 1.00 0.00 C ATOM 392 OE1 GLU A 27 -12.865 -4.395 -11.930 1.00 0.00 O ATOM 393 OE2 GLU A 27 -13.774 -4.602 -9.989 1.00 0.00 O ATOM 0 H GLU A 27 -12.323 0.250 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.362 -0.178 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.077 -1.497 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.690 -1.743 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.400 -2.709 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.767 -2.439 -9.325 1.00 0.00 H new ATOM 400 N LYS A 28 -13.229 2.053 -11.810 1.00 0.00 N ATOM 401 CA LYS A 28 -13.504 2.961 -12.991 1.00 0.00 C ATOM 402 C LYS A 28 -12.167 3.518 -13.492 1.00 0.00 C ATOM 403 O LYS A 28 -12.081 4.481 -14.224 1.00 0.00 O ATOM 404 CB LYS A 28 -14.518 4.083 -12.609 1.00 0.00 C ATOM 405 CG LYS A 28 -15.907 3.548 -12.175 1.00 0.00 C ATOM 406 CD LYS A 28 -16.651 2.823 -13.345 1.00 0.00 C ATOM 407 CE LYS A 28 -18.143 2.670 -13.020 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.857 3.941 -13.340 1.00 0.00 N ATOM 0 H LYS A 28 -13.423 2.445 -10.889 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.972 2.400 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.099 4.679 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.646 4.750 -13.461 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.784 2.857 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.518 4.376 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.530 3.390 -14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.207 1.842 -13.514 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.568 1.847 -13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.273 2.423 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.868 3.836 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.457 4.716 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.744 4.158 -14.351 1.00 0.00 H new ATOM 422 N PHE A 29 -11.100 2.888 -13.146 1.00 0.00 N ATOM 423 CA PHE A 29 -9.786 3.399 -13.626 1.00 0.00 C ATOM 424 C PHE A 29 -8.820 2.235 -13.817 1.00 0.00 C ATOM 425 O PHE A 29 -9.079 1.105 -13.427 1.00 0.00 O ATOM 426 CB PHE A 29 -9.204 4.378 -12.616 1.00 0.00 C ATOM 427 CG PHE A 29 -9.909 5.695 -12.759 1.00 0.00 C ATOM 428 CD1 PHE A 29 -11.151 5.892 -12.151 1.00 0.00 C ATOM 429 CD2 PHE A 29 -9.316 6.718 -13.497 1.00 0.00 C ATOM 430 CE1 PHE A 29 -11.810 7.121 -12.292 1.00 0.00 C ATOM 431 CE2 PHE A 29 -9.973 7.955 -13.642 1.00 0.00 C ATOM 432 CZ PHE A 29 -11.225 8.153 -13.041 1.00 0.00 C ATOM 0 H PHE A 29 -11.067 2.053 -12.561 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.934 3.911 -14.577 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.325 3.993 -11.604 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.134 4.502 -12.784 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.603 5.099 -11.573 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.352 6.562 -13.958 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.771 7.274 -11.823 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.515 8.748 -14.214 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.737 9.097 -13.155 1.00 0.00 H new ATOM 442 N GLY A 30 -7.708 2.547 -14.434 1.00 0.00 N ATOM 443 CA GLY A 30 -6.648 1.545 -14.736 1.00 0.00 C ATOM 444 C GLY A 30 -5.422 1.805 -13.842 1.00 0.00 C ATOM 445 O GLY A 30 -5.482 2.544 -12.877 1.00 0.00 O ATOM 0 H GLY A 30 -7.487 3.491 -14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.027 0.537 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.364 1.606 -15.787 1.00 0.00 H new ATOM 449 N ILE A 31 -4.318 1.176 -14.157 1.00 0.00 N ATOM 450 CA ILE A 31 -3.059 1.334 -13.332 1.00 0.00 C ATOM 451 C ILE A 31 -2.504 2.780 -13.364 1.00 0.00 C ATOM 452 O ILE A 31 -2.088 3.336 -12.340 1.00 0.00 O ATOM 453 CB ILE A 31 -1.999 0.377 -13.891 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.747 0.452 -13.009 1.00 0.00 C ATOM 455 CG2 ILE A 31 -1.646 0.783 -15.322 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.260 -0.622 -13.434 1.00 0.00 C ATOM 0 H ILE A 31 -4.225 0.551 -14.957 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.302 1.105 -12.294 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.386 -0.642 -13.895 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.293 1.440 -13.091 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.020 0.312 -11.963 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.893 0.102 -15.718 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.540 0.737 -15.944 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.254 1.800 -15.325 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.146 -0.561 -12.802 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.193 -1.608 -13.329 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.545 -0.463 -14.474 1.00 0.00 H new ATOM 468 N GLY A 32 -2.444 3.357 -14.532 1.00 0.00 N ATOM 469 CA GLY A 32 -1.875 4.736 -14.708 1.00 0.00 C ATOM 470 C GLY A 32 -2.168 5.684 -13.532 1.00 0.00 C ATOM 471 O GLY A 32 -1.322 5.908 -12.687 1.00 0.00 O ATOM 0 H GLY A 32 -2.772 2.925 -15.396 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.796 4.659 -14.840 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.278 5.171 -15.622 1.00 0.00 H new ATOM 475 N LEU A 33 -3.328 6.294 -13.499 1.00 0.00 N ATOM 476 CA LEU A 33 -3.637 7.255 -12.391 1.00 0.00 C ATOM 477 C LEU A 33 -3.111 6.726 -11.032 1.00 0.00 C ATOM 478 O LEU A 33 -2.335 7.402 -10.392 1.00 0.00 O ATOM 479 CB LEU A 33 -5.161 7.540 -12.339 1.00 0.00 C ATOM 480 CG LEU A 33 -5.605 7.998 -10.923 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.823 9.257 -10.503 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.102 8.321 -10.963 1.00 0.00 C ATOM 0 H LEU A 33 -4.071 6.170 -14.187 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.123 8.195 -12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.413 8.310 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.710 6.642 -12.621 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.406 7.204 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.143 9.569 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.756 9.034 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.016 10.060 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.431 8.645 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.283 9.117 -11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.658 7.431 -11.257 1.00 0.00 H new ATOM 494 N PRO A 34 -3.501 5.556 -10.572 1.00 0.00 N ATOM 495 CA PRO A 34 -3.004 4.994 -9.271 1.00 0.00 C ATOM 496 C PRO A 34 -1.530 5.322 -8.969 1.00 0.00 C ATOM 497 O PRO A 34 -1.202 5.717 -7.870 1.00 0.00 O ATOM 498 CB PRO A 34 -3.187 3.495 -9.477 1.00 0.00 C ATOM 499 CG PRO A 34 -4.438 3.393 -10.287 1.00 0.00 C ATOM 500 CD PRO A 34 -4.465 4.631 -11.201 1.00 0.00 C ATOM 0 HA PRO A 34 -3.539 5.413 -8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.336 3.057 -9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.283 2.970 -8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.446 2.475 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.317 3.366 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.172 4.381 -12.221 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.462 5.068 -11.253 1.00 0.00 H new ATOM 508 N ILE A 35 -0.624 5.204 -9.903 1.00 0.00 N ATOM 509 CA ILE A 35 0.805 5.570 -9.556 1.00 0.00 C ATOM 510 C ILE A 35 0.833 7.057 -9.148 1.00 0.00 C ATOM 511 O ILE A 35 1.421 7.421 -8.151 1.00 0.00 O ATOM 512 CB ILE A 35 1.682 5.295 -10.770 1.00 0.00 C ATOM 513 CG1 ILE A 35 3.126 5.003 -10.340 1.00 0.00 C ATOM 514 CG2 ILE A 35 1.640 6.471 -11.747 1.00 0.00 C ATOM 515 CD1 ILE A 35 3.961 4.529 -11.543 1.00 0.00 C ATOM 0 H ILE A 35 -0.788 4.885 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 35 1.186 4.978 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 35 1.290 4.414 -11.279 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.572 5.900 -9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.133 4.240 -9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.274 6.253 -12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.615 6.629 -12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.001 7.371 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.982 4.327 -11.220 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.523 3.619 -11.954 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.970 5.305 -12.308 1.00 0.00 H new ATOM 527 N LEU A 36 0.157 7.906 -9.889 1.00 0.00 N ATOM 528 CA LEU A 36 0.096 9.356 -9.516 1.00 0.00 C ATOM 529 C LEU A 36 -0.580 9.543 -8.139 1.00 0.00 C ATOM 530 O LEU A 36 -0.128 10.335 -7.321 1.00 0.00 O ATOM 531 CB LEU A 36 -0.683 10.148 -10.577 1.00 0.00 C ATOM 532 CG LEU A 36 0.097 10.183 -11.898 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.805 10.729 -13.018 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.330 11.086 -11.756 1.00 0.00 C ATOM 0 H LEU A 36 -0.355 7.656 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 36 1.118 9.730 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.660 9.692 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.860 11.164 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 36 0.417 9.171 -12.146 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.248 10.753 -13.955 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.677 10.084 -13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.130 11.738 -12.764 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.878 11.105 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.013 12.097 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.976 10.698 -10.969 1.00 0.00 H new ATOM 546 N PHE A 37 -1.664 8.836 -7.875 1.00 0.00 N ATOM 547 CA PHE A 37 -2.349 8.966 -6.540 1.00 0.00 C ATOM 548 C PHE A 37 -1.698 7.986 -5.576 1.00 0.00 C ATOM 549 O PHE A 37 -1.836 8.681 -4.577 1.00 0.00 O ATOM 550 CB PHE A 37 -3.844 8.518 -6.624 1.00 0.00 C ATOM 551 CG PHE A 37 -4.764 9.124 -5.582 1.00 0.00 C ATOM 552 CD1 PHE A 37 -4.841 8.543 -4.294 1.00 0.00 C ATOM 553 CD2 PHE A 37 -5.626 10.175 -5.916 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.762 9.027 -3.353 1.00 0.00 C ATOM 555 CE2 PHE A 37 -6.569 10.649 -4.985 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.634 10.075 -3.700 1.00 0.00 C ATOM 0 H PHE A 37 -2.100 8.179 -8.522 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.274 10.007 -6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.226 8.771 -7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.886 7.433 -6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.188 7.723 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.567 10.626 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.802 8.596 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.241 11.450 -5.255 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.353 10.439 -2.981 1.00 0.00 H new ATOM 566 N LEU A 38 -1.140 6.837 -5.525 1.00 0.00 N ATOM 567 CA LEU A 38 -0.667 6.307 -4.296 1.00 0.00 C ATOM 568 C LEU A 38 0.432 7.223 -3.740 1.00 0.00 C ATOM 569 O LEU A 38 0.493 7.401 -2.555 1.00 0.00 O ATOM 570 CB LEU A 38 -0.229 4.886 -4.667 1.00 0.00 C ATOM 571 CG LEU A 38 -1.504 4.053 -5.087 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.105 2.732 -5.800 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.378 3.718 -3.852 1.00 0.00 C ATOM 0 H LEU A 38 -0.996 6.232 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.394 6.260 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.490 4.914 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.270 4.412 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.077 4.671 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.004 2.182 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.530 2.962 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.500 2.124 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.249 3.144 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.795 3.131 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.705 4.643 -3.376 1.00 0.00 H new ATOM 585 N ARG A 39 1.275 7.822 -4.547 1.00 0.00 N ATOM 586 CA ARG A 39 2.362 8.703 -4.000 1.00 0.00 C ATOM 587 C ARG A 39 1.867 10.090 -3.483 1.00 0.00 C ATOM 588 O ARG A 39 2.625 10.824 -2.889 1.00 0.00 O ATOM 589 CB ARG A 39 3.400 8.930 -5.111 1.00 0.00 C ATOM 590 CG ARG A 39 4.010 7.592 -5.563 1.00 0.00 C ATOM 591 CD ARG A 39 5.159 7.829 -6.552 1.00 0.00 C ATOM 592 NE ARG A 39 6.364 8.271 -5.798 1.00 0.00 N ATOM 593 CZ ARG A 39 7.546 8.163 -6.335 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.670 7.648 -7.528 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.601 8.560 -5.680 1.00 0.00 N ATOM 0 H ARG A 39 1.259 7.740 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 39 2.780 8.188 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.930 9.427 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.188 9.592 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.377 7.042 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.242 6.975 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.375 6.914 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.875 8.584 -7.285 1.00 0.00 H new ATOM 0 HE ARG A 39 6.264 8.659 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.844 7.332 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.593 7.561 -7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.502 8.956 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.526 8.475 -6.102 1.00 0.00 H new ATOM 609 N GLY A 40 0.610 10.423 -3.633 1.00 0.00 N ATOM 610 CA GLY A 40 0.092 11.727 -3.107 1.00 0.00 C ATOM 611 C GLY A 40 0.471 12.833 -4.057 1.00 0.00 C ATOM 612 O GLY A 40 1.233 13.716 -3.731 1.00 0.00 O ATOM 0 H GLY A 40 -0.087 9.844 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.991 11.683 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.506 11.924 -2.118 1.00 0.00 H new ATOM 616 N SER A 41 -0.060 12.786 -5.248 1.00 0.00 N ATOM 617 CA SER A 41 0.272 13.855 -6.263 1.00 0.00 C ATOM 618 C SER A 41 -0.444 15.214 -5.991 1.00 0.00 C ATOM 619 O SER A 41 -1.394 15.314 -5.208 1.00 0.00 O ATOM 620 CB SER A 41 0.139 13.363 -7.687 1.00 0.00 C ATOM 621 OG SER A 41 -1.226 13.078 -7.956 1.00 0.00 O ATOM 0 H SER A 41 -0.705 12.065 -5.571 1.00 0.00 H new ATOM 0 HA SER A 41 1.331 14.078 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.509 14.117 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.746 12.469 -7.834 1.00 0.00 H new ATOM 0 HG SER A 41 -1.385 12.116 -7.858 1.00 0.00 H new ATOM 627 N ASN A 42 0.021 16.260 -6.628 1.00 0.00 N ATOM 628 CA ASN A 42 -0.605 17.621 -6.468 1.00 0.00 C ATOM 629 C ASN A 42 -1.859 17.582 -7.346 1.00 0.00 C ATOM 630 O ASN A 42 -1.808 17.670 -8.555 1.00 0.00 O ATOM 631 CB ASN A 42 0.301 18.770 -6.921 1.00 0.00 C ATOM 632 CG ASN A 42 -0.391 20.104 -6.612 1.00 0.00 C ATOM 633 OD1 ASN A 42 -1.503 20.123 -6.123 1.00 0.00 O ATOM 634 ND2 ASN A 42 0.229 21.223 -6.861 1.00 0.00 N ATOM 0 H ASN A 42 0.819 16.234 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.808 17.814 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.261 18.717 -6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.505 18.690 -7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.219 22.113 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.163 21.208 -7.272 1.00 0.00 H new ATOM 641 N SER A 43 -2.993 17.450 -6.696 1.00 0.00 N ATOM 642 CA SER A 43 -4.311 17.398 -7.399 1.00 0.00 C ATOM 643 C SER A 43 -5.460 17.620 -6.410 1.00 0.00 C ATOM 644 O SER A 43 -5.875 16.726 -5.713 1.00 0.00 O ATOM 645 CB SER A 43 -4.477 16.032 -8.063 1.00 0.00 C ATOM 646 OG SER A 43 -5.742 15.979 -8.707 1.00 0.00 O ATOM 0 H SER A 43 -3.058 17.374 -5.681 1.00 0.00 H new ATOM 0 HA SER A 43 -4.337 18.187 -8.151 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.679 15.866 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.401 15.240 -7.318 1.00 0.00 H new ATOM 0 HG SER A 43 -5.688 15.387 -9.486 1.00 0.00 H new ATOM 652 N GLN A 44 -5.957 18.824 -6.327 1.00 0.00 N ATOM 653 CA GLN A 44 -7.070 19.110 -5.376 1.00 0.00 C ATOM 654 C GLN A 44 -8.417 18.575 -5.902 1.00 0.00 C ATOM 655 O GLN A 44 -9.284 18.217 -5.131 1.00 0.00 O ATOM 656 CB GLN A 44 -7.178 20.623 -5.174 1.00 0.00 C ATOM 657 CG GLN A 44 -8.151 20.916 -4.030 1.00 0.00 C ATOM 658 CD GLN A 44 -7.544 20.448 -2.707 1.00 0.00 C ATOM 659 OE1 GLN A 44 -6.515 20.942 -2.292 1.00 0.00 O ATOM 660 NE2 GLN A 44 -8.139 19.509 -2.024 1.00 0.00 N ATOM 0 H GLN A 44 -5.641 19.623 -6.877 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.850 18.609 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.197 21.041 -4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.524 21.099 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.365 21.984 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.099 20.408 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.003 19.094 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.740 19.190 -1.141 1.00 0.00 H new ATOM 669 N ARG A 45 -8.620 18.553 -7.195 1.00 0.00 N ATOM 670 CA ARG A 45 -9.931 18.065 -7.742 1.00 0.00 C ATOM 671 C ARG A 45 -10.216 16.615 -7.319 1.00 0.00 C ATOM 672 O ARG A 45 -11.336 16.263 -6.976 1.00 0.00 O ATOM 673 CB ARG A 45 -9.887 18.142 -9.276 1.00 0.00 C ATOM 674 CG ARG A 45 -11.249 17.729 -9.871 1.00 0.00 C ATOM 675 CD ARG A 45 -11.204 17.797 -11.407 1.00 0.00 C ATOM 676 NE ARG A 45 -12.570 17.543 -11.956 1.00 0.00 N ATOM 677 CZ ARG A 45 -12.990 16.319 -12.126 1.00 0.00 C ATOM 678 NH1 ARG A 45 -12.222 15.309 -11.826 1.00 0.00 N ATOM 679 NH2 ARG A 45 -14.189 16.108 -12.603 1.00 0.00 N ATOM 0 H ARG A 45 -7.941 18.849 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.726 18.696 -7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.638 19.156 -9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.102 17.489 -9.658 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.501 16.718 -9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.032 18.386 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.847 18.776 -11.728 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.502 17.059 -11.794 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.175 18.327 -12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.286 15.473 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.557 14.355 -11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.790 16.897 -12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.523 15.154 -12.738 1.00 0.00 H new ATOM 693 N LEU A 46 -9.226 15.768 -7.346 1.00 0.00 N ATOM 694 CA LEU A 46 -9.458 14.343 -6.959 1.00 0.00 C ATOM 695 C LEU A 46 -9.283 14.208 -5.444 1.00 0.00 C ATOM 696 O LEU A 46 -9.565 13.178 -4.856 1.00 0.00 O ATOM 697 CB LEU A 46 -8.432 13.458 -7.690 1.00 0.00 C ATOM 698 CG LEU A 46 -8.601 13.555 -9.218 1.00 0.00 C ATOM 699 CD1 LEU A 46 -7.450 12.812 -9.900 1.00 0.00 C ATOM 700 CD2 LEU A 46 -9.928 12.921 -9.656 1.00 0.00 C ATOM 0 H LEU A 46 -8.270 15.996 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.465 14.031 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.423 13.762 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.551 12.422 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.598 14.607 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.565 12.878 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.502 13.263 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.462 11.765 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.029 12.999 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.943 11.871 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.756 13.442 -9.176 1.00 0.00 H new ATOM 712 N ALA A 47 -8.844 15.249 -4.795 1.00 0.00 N ATOM 713 CA ALA A 47 -8.688 15.154 -3.328 1.00 0.00 C ATOM 714 C ALA A 47 -10.010 15.530 -2.665 1.00 0.00 C ATOM 715 O ALA A 47 -10.230 15.195 -1.542 1.00 0.00 O ATOM 716 CB ALA A 47 -7.564 16.081 -2.845 1.00 0.00 C ATOM 0 H ALA A 47 -8.592 16.145 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.421 14.133 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.464 15.998 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.626 15.793 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.803 17.111 -3.109 1.00 0.00 H new ATOM 722 N ASP A 48 -10.900 16.214 -3.348 1.00 0.00 N ATOM 723 CA ASP A 48 -12.203 16.587 -2.702 1.00 0.00 C ATOM 724 C ASP A 48 -13.256 15.533 -3.058 1.00 0.00 C ATOM 725 O ASP A 48 -13.947 15.007 -2.209 1.00 0.00 O ATOM 726 CB ASP A 48 -12.669 17.958 -3.191 1.00 0.00 C ATOM 727 CG ASP A 48 -11.773 19.047 -2.594 1.00 0.00 C ATOM 728 OD1 ASP A 48 -11.008 18.731 -1.696 1.00 0.00 O ATOM 729 OD2 ASP A 48 -11.868 20.178 -3.044 1.00 0.00 O ATOM 0 H ASP A 48 -10.784 16.527 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.066 16.630 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.632 17.999 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.706 18.126 -2.900 1.00 0.00 H new ATOM 734 N GLN A 49 -13.351 15.206 -4.318 1.00 0.00 N ATOM 735 CA GLN A 49 -14.344 14.174 -4.753 1.00 0.00 C ATOM 736 C GLN A 49 -13.958 12.806 -4.159 1.00 0.00 C ATOM 737 O GLN A 49 -14.737 12.174 -3.477 1.00 0.00 O ATOM 738 CB GLN A 49 -14.349 14.081 -6.280 1.00 0.00 C ATOM 739 CG GLN A 49 -15.186 15.222 -6.854 1.00 0.00 C ATOM 740 CD GLN A 49 -14.683 16.556 -6.302 1.00 0.00 C ATOM 741 OE1 GLN A 49 -14.902 16.872 -5.149 1.00 0.00 O ATOM 742 NE2 GLN A 49 -14.010 17.358 -7.081 1.00 0.00 N ATOM 0 H GLN A 49 -12.786 15.607 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 49 -15.337 14.457 -4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.330 14.135 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.757 13.121 -6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.123 15.221 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.236 15.082 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.826 17.093 -8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.668 18.249 -6.722 1.00 0.00 H new ATOM 751 N TYR A 50 -12.760 12.351 -4.423 1.00 0.00 N ATOM 752 CA TYR A 50 -12.306 11.021 -3.894 1.00 0.00 C ATOM 753 C TYR A 50 -11.612 11.213 -2.537 1.00 0.00 C ATOM 754 O TYR A 50 -10.652 10.553 -2.208 1.00 0.00 O ATOM 755 CB TYR A 50 -11.346 10.393 -4.901 1.00 0.00 C ATOM 756 CG TYR A 50 -12.109 10.123 -6.174 1.00 0.00 C ATOM 757 CD1 TYR A 50 -12.880 8.952 -6.295 1.00 0.00 C ATOM 758 CD2 TYR A 50 -12.067 11.046 -7.234 1.00 0.00 C ATOM 759 CE1 TYR A 50 -13.608 8.703 -7.474 1.00 0.00 C ATOM 760 CE2 TYR A 50 -12.800 10.801 -8.413 1.00 0.00 C ATOM 761 CZ TYR A 50 -13.566 9.629 -8.530 1.00 0.00 C ATOM 762 OH TYR A 50 -14.283 9.385 -9.687 1.00 0.00 O ATOM 0 H TYR A 50 -12.068 12.845 -4.987 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.162 10.362 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.507 11.062 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.930 9.467 -4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.913 8.243 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.473 11.943 -7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.197 7.803 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.773 11.513 -9.225 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.147 10.123 -10.318 1.00 0.00 H new ATOM 772 N ARG A 51 -12.106 12.148 -1.785 1.00 0.00 N ATOM 773 CA ARG A 51 -11.549 12.505 -0.442 1.00 0.00 C ATOM 774 C ARG A 51 -11.572 11.320 0.532 1.00 0.00 C ATOM 775 O ARG A 51 -10.752 11.262 1.430 1.00 0.00 O ATOM 776 CB ARG A 51 -12.390 13.672 0.157 1.00 0.00 C ATOM 777 CG ARG A 51 -13.845 13.237 0.388 1.00 0.00 C ATOM 778 CD ARG A 51 -14.639 14.403 0.992 1.00 0.00 C ATOM 779 NE ARG A 51 -16.049 13.979 1.222 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.918 14.832 1.691 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.555 16.056 1.948 1.00 0.00 N ATOM 782 NH2 ARG A 51 -18.150 14.453 1.904 1.00 0.00 N ATOM 0 H ARG A 51 -12.913 12.710 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.508 12.799 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.949 13.997 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.365 14.527 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.296 12.925 -0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.877 12.377 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.185 14.718 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.611 15.262 0.321 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.335 13.022 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.592 16.348 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.234 16.723 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.430 13.493 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.832 15.117 2.271 1.00 0.00 H new ATOM 796 N ARG A 52 -12.500 10.409 0.443 1.00 0.00 N ATOM 797 CA ARG A 52 -12.469 9.308 1.440 1.00 0.00 C ATOM 798 C ARG A 52 -11.142 8.577 1.350 1.00 0.00 C ATOM 799 O ARG A 52 -10.625 8.075 2.328 1.00 0.00 O ATOM 800 CB ARG A 52 -13.615 8.332 1.153 1.00 0.00 C ATOM 801 CG ARG A 52 -14.973 9.045 1.280 1.00 0.00 C ATOM 802 CD ARG A 52 -15.381 9.152 2.755 1.00 0.00 C ATOM 803 NE ARG A 52 -16.772 9.679 2.848 1.00 0.00 N ATOM 804 CZ ARG A 52 -17.235 10.090 3.994 1.00 0.00 C ATOM 805 NH1 ARG A 52 -16.486 10.029 5.061 1.00 0.00 N ATOM 806 NH2 ARG A 52 -18.454 10.557 4.078 1.00 0.00 N ATOM 0 H ARG A 52 -13.250 10.377 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.584 9.720 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.507 7.919 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.571 7.494 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.912 10.040 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.733 8.496 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.318 8.174 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.695 9.811 3.287 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.360 9.718 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.537 9.659 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.849 10.351 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.042 10.599 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.816 10.879 4.976 1.00 0.00 H new ATOM 820 N HIS A 53 -10.600 8.499 0.169 1.00 0.00 N ATOM 821 CA HIS A 53 -9.309 7.789 -0.039 1.00 0.00 C ATOM 822 C HIS A 53 -8.253 8.171 1.004 1.00 0.00 C ATOM 823 O HIS A 53 -7.390 8.987 0.753 1.00 0.00 O ATOM 824 CB HIS A 53 -8.826 8.171 -1.405 1.00 0.00 C ATOM 825 CG HIS A 53 -7.856 7.127 -1.893 1.00 0.00 C ATOM 826 ND1 HIS A 53 -7.830 6.710 -3.218 1.00 0.00 N ATOM 827 CD2 HIS A 53 -6.891 6.395 -1.252 1.00 0.00 C ATOM 828 CE1 HIS A 53 -6.878 5.768 -3.328 1.00 0.00 C ATOM 829 NE2 HIS A 53 -6.279 5.539 -2.159 1.00 0.00 N ATOM 0 H HIS A 53 -11.004 8.904 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.466 6.715 0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.668 8.253 -2.092 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.343 9.148 -1.374 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -8.425 7.056 -3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.644 6.472 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.629 5.260 -4.248 1.00 0.00 H new ATOM 838 N SER A 54 -8.295 7.574 2.165 1.00 0.00 N ATOM 839 CA SER A 54 -7.281 7.899 3.212 1.00 0.00 C ATOM 840 C SER A 54 -5.855 7.531 2.741 1.00 0.00 C ATOM 841 O SER A 54 -4.908 8.242 2.999 1.00 0.00 O ATOM 842 CB SER A 54 -7.604 7.115 4.484 1.00 0.00 C ATOM 843 OG SER A 54 -6.666 7.457 5.499 1.00 0.00 O ATOM 0 H SER A 54 -8.987 6.875 2.434 1.00 0.00 H new ATOM 0 HA SER A 54 -7.316 8.971 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.617 7.342 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.567 6.044 4.284 1.00 0.00 H new ATOM 0 HG SER A 54 -6.872 6.957 6.316 1.00 0.00 H new ATOM 849 N LEU A 55 -5.689 6.407 2.087 1.00 0.00 N ATOM 850 CA LEU A 55 -4.322 5.977 1.628 1.00 0.00 C ATOM 851 C LEU A 55 -3.664 7.078 0.763 1.00 0.00 C ATOM 852 O LEU A 55 -2.604 6.883 0.141 1.00 0.00 O ATOM 853 CB LEU A 55 -4.426 4.724 0.694 1.00 0.00 C ATOM 854 CG LEU A 55 -5.358 3.584 1.208 1.00 0.00 C ATOM 855 CD1 LEU A 55 -4.968 2.241 0.567 1.00 0.00 C ATOM 856 CD2 LEU A 55 -5.255 3.465 2.730 1.00 0.00 C ATOM 0 H LEU A 55 -6.443 5.763 1.848 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.741 5.768 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.782 5.049 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.426 4.315 0.549 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.383 3.829 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.628 1.456 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.062 2.314 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.937 2.000 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.910 2.666 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.226 3.238 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.556 4.406 3.190 1.00 0.00 H new ATOM 868 N PHE A 56 -4.264 8.224 0.626 1.00 0.00 N ATOM 869 CA PHE A 56 -3.598 9.182 -0.245 1.00 0.00 C ATOM 870 C PHE A 56 -2.172 9.439 0.256 1.00 0.00 C ATOM 871 O PHE A 56 -1.982 9.832 1.379 1.00 0.00 O ATOM 872 CB PHE A 56 -4.482 10.402 -0.200 1.00 0.00 C ATOM 873 CG PHE A 56 -3.778 11.646 -0.754 1.00 0.00 C ATOM 874 CD1 PHE A 56 -2.810 12.355 0.004 1.00 0.00 C ATOM 875 CD2 PHE A 56 -4.053 12.075 -2.079 1.00 0.00 C ATOM 876 CE1 PHE A 56 -2.152 13.457 -0.561 1.00 0.00 C ATOM 877 CE2 PHE A 56 -3.376 13.167 -2.628 1.00 0.00 C ATOM 878 CZ PHE A 56 -2.436 13.856 -1.869 1.00 0.00 C ATOM 0 H PHE A 56 -5.140 8.516 1.060 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.476 8.839 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.389 10.213 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.790 10.588 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.581 12.047 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.792 11.553 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.421 14.001 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.583 13.476 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.922 14.705 -2.294 1.00 0.00 H new ATOM 888 N GLY A 57 -1.218 9.300 -0.607 1.00 0.00 N ATOM 889 CA GLY A 57 0.247 9.564 -0.338 1.00 0.00 C ATOM 890 C GLY A 57 0.943 8.798 0.806 1.00 0.00 C ATOM 891 O GLY A 57 1.928 9.322 1.340 1.00 0.00 O ATOM 0 H GLY A 57 -1.393 8.992 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.794 9.353 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.359 10.630 -0.137 1.00 0.00 H new ATOM 895 N THR A 58 0.550 7.628 1.246 1.00 0.00 N ATOM 896 CA THR A 58 1.384 7.109 2.386 1.00 0.00 C ATOM 897 C THR A 58 2.485 6.238 1.714 1.00 0.00 C ATOM 898 O THR A 58 3.506 5.984 2.252 1.00 0.00 O ATOM 899 CB THR A 58 0.410 6.252 3.224 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.607 7.098 3.731 1.00 0.00 O ATOM 901 CG2 THR A 58 1.134 5.589 4.409 1.00 0.00 C ATOM 0 H THR A 58 -0.226 7.056 0.913 1.00 0.00 H new ATOM 0 HA THR A 58 1.852 7.863 3.019 1.00 0.00 H new ATOM 0 HB THR A 58 -0.006 5.470 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.236 6.569 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.424 4.992 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.930 4.946 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.561 6.359 5.051 1.00 0.00 H new ATOM 909 N GLY A 59 2.293 5.888 0.474 1.00 0.00 N ATOM 910 CA GLY A 59 3.264 5.078 -0.350 1.00 0.00 C ATOM 911 C GLY A 59 4.140 6.010 -1.093 1.00 0.00 C ATOM 912 O GLY A 59 4.596 5.766 -2.193 1.00 0.00 O ATOM 0 H GLY A 59 1.451 6.143 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.859 4.431 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.726 4.431 -1.042 1.00 0.00 H new ATOM 916 N LYS A 60 4.323 7.089 -0.466 1.00 0.00 N ATOM 917 CA LYS A 60 5.135 8.197 -0.990 1.00 0.00 C ATOM 918 C LYS A 60 6.653 7.827 -1.075 1.00 0.00 C ATOM 919 O LYS A 60 7.346 8.314 -1.946 1.00 0.00 O ATOM 920 CB LYS A 60 4.910 9.367 0.015 1.00 0.00 C ATOM 921 CG LYS A 60 5.622 10.724 -0.445 1.00 0.00 C ATOM 922 CD LYS A 60 5.309 11.844 0.569 1.00 0.00 C ATOM 923 CE LYS A 60 6.060 11.614 1.896 1.00 0.00 C ATOM 924 NZ LYS A 60 5.134 10.991 2.884 1.00 0.00 N ATOM 0 H LYS A 60 3.921 7.275 0.453 1.00 0.00 H new ATOM 0 HA LYS A 60 4.841 8.454 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.840 9.543 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.290 9.077 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.699 10.575 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.274 11.011 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.593 12.809 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.236 11.881 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.923 10.969 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.439 12.561 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.652 10.289 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.750 11.726 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.353 10.523 2.381 1.00 0.00 H new ATOM 938 N ASP A 61 7.161 6.981 -0.217 1.00 0.00 N ATOM 939 CA ASP A 61 8.632 6.595 -0.258 1.00 0.00 C ATOM 940 C ASP A 61 8.894 5.689 -1.476 1.00 0.00 C ATOM 941 O ASP A 61 10.017 5.317 -1.757 1.00 0.00 O ATOM 942 CB ASP A 61 9.043 5.868 1.024 1.00 0.00 C ATOM 943 CG ASP A 61 8.074 4.707 1.280 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.980 4.740 0.742 1.00 0.00 O ATOM 945 OD2 ASP A 61 8.444 3.801 2.012 1.00 0.00 O ATOM 0 H ASP A 61 6.626 6.528 0.524 1.00 0.00 H new ATOM 0 HA ASP A 61 9.226 7.505 -0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.062 5.493 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.032 6.559 1.867 1.00 0.00 H new ATOM 950 N GLN A 62 7.853 5.253 -2.122 1.00 0.00 N ATOM 951 CA GLN A 62 7.991 4.307 -3.278 1.00 0.00 C ATOM 952 C GLN A 62 8.309 5.014 -4.560 1.00 0.00 C ATOM 953 O GLN A 62 7.658 5.942 -4.981 1.00 0.00 O ATOM 954 CB GLN A 62 6.620 3.690 -3.498 1.00 0.00 C ATOM 955 CG GLN A 62 6.126 3.046 -2.150 1.00 0.00 C ATOM 956 CD GLN A 62 5.092 1.943 -2.423 1.00 0.00 C ATOM 957 OE1 GLN A 62 4.086 1.856 -1.748 1.00 0.00 O ATOM 958 NE2 GLN A 62 5.301 1.095 -3.392 1.00 0.00 N ATOM 0 H GLN A 62 6.892 5.513 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 62 8.786 3.599 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.914 4.450 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.669 2.933 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.975 2.630 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.687 3.814 -1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.145 1.167 -3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.620 0.360 -3.582 1.00 0.00 H new ATOM 967 N THR A 63 9.308 4.533 -5.211 1.00 0.00 N ATOM 968 CA THR A 63 9.676 5.130 -6.489 1.00 0.00 C ATOM 969 C THR A 63 8.619 4.800 -7.540 1.00 0.00 C ATOM 970 O THR A 63 7.772 3.961 -7.355 1.00 0.00 O ATOM 971 CB THR A 63 11.083 4.664 -6.917 1.00 0.00 C ATOM 972 OG1 THR A 63 10.994 3.338 -7.425 1.00 0.00 O ATOM 973 CG2 THR A 63 12.043 4.682 -5.720 1.00 0.00 C ATOM 0 H THR A 63 9.885 3.749 -4.908 1.00 0.00 H new ATOM 0 HA THR A 63 9.714 6.214 -6.385 1.00 0.00 H new ATOM 0 HB THR A 63 11.464 5.340 -7.683 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.883 3.033 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.031 4.350 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.111 5.695 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.670 4.013 -4.944 1.00 0.00 H new ATOM 981 N GLU A 64 8.737 5.470 -8.649 1.00 0.00 N ATOM 982 CA GLU A 64 7.840 5.305 -9.835 1.00 0.00 C ATOM 983 C GLU A 64 7.792 3.859 -10.398 1.00 0.00 C ATOM 984 O GLU A 64 6.753 3.250 -10.387 1.00 0.00 O ATOM 985 CB GLU A 64 8.376 6.234 -10.941 1.00 0.00 C ATOM 986 CG GLU A 64 7.378 6.320 -12.101 1.00 0.00 C ATOM 987 CD GLU A 64 6.155 7.126 -11.661 1.00 0.00 C ATOM 988 OE1 GLU A 64 6.186 7.663 -10.565 1.00 0.00 O ATOM 989 OE2 GLU A 64 5.209 7.193 -12.427 1.00 0.00 O ATOM 0 H GLU A 64 9.465 6.170 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 64 6.826 5.546 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.555 7.229 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.334 5.861 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.847 6.792 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.076 5.319 -12.410 1.00 0.00 H new ATOM 996 N SER A 65 8.851 3.318 -10.945 1.00 0.00 N ATOM 997 CA SER A 65 8.783 1.966 -11.508 1.00 0.00 C ATOM 998 C SER A 65 8.561 0.931 -10.416 1.00 0.00 C ATOM 999 O SER A 65 8.095 -0.129 -10.676 1.00 0.00 O ATOM 1000 CB SER A 65 10.104 1.708 -12.235 1.00 0.00 C ATOM 1001 OG SER A 65 11.176 1.834 -11.314 1.00 0.00 O ATOM 0 H SER A 65 9.762 3.772 -11.019 1.00 0.00 H new ATOM 0 HA SER A 65 7.943 1.886 -12.197 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.102 0.711 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.227 2.417 -13.054 1.00 0.00 H new ATOM 0 HG SER A 65 11.831 1.123 -11.475 1.00 0.00 H new ATOM 1007 N TRP A 66 8.826 1.212 -9.188 1.00 0.00 N ATOM 1008 CA TRP A 66 8.577 0.172 -8.149 1.00 0.00 C ATOM 1009 C TRP A 66 7.100 -0.129 -8.225 1.00 0.00 C ATOM 1010 O TRP A 66 6.649 -1.214 -8.125 1.00 0.00 O ATOM 1011 CB TRP A 66 8.981 0.645 -6.752 1.00 0.00 C ATOM 1012 CG TRP A 66 8.925 -0.496 -5.819 1.00 0.00 C ATOM 1013 CD1 TRP A 66 7.820 -0.929 -5.212 1.00 0.00 C ATOM 1014 CD2 TRP A 66 10.012 -1.319 -5.341 1.00 0.00 C ATOM 1015 NE1 TRP A 66 8.137 -2.040 -4.451 1.00 0.00 N ATOM 1016 CE2 TRP A 66 9.489 -2.285 -4.463 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.397 -1.321 -5.597 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 10.313 -3.224 -3.841 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 12.227 -2.257 -4.970 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.689 -3.207 -4.088 1.00 0.00 C ATOM 0 H TRP A 66 9.199 2.099 -8.850 1.00 0.00 H new ATOM 0 HA TRP A 66 9.180 -0.717 -8.332 1.00 0.00 H new ATOM 0 HB2 TRP A 66 9.987 1.064 -6.774 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.313 1.438 -6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.839 -0.486 -5.300 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.454 -2.605 -3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 66 11.820 -0.598 -6.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.890 -3.960 -3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.289 -2.248 -5.166 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.336 -3.922 -3.602 1.00 0.00 H new ATOM 1031 N TRP A 67 6.336 0.880 -8.392 1.00 0.00 N ATOM 1032 CA TRP A 67 4.894 0.671 -8.430 1.00 0.00 C ATOM 1033 C TRP A 67 4.666 -0.095 -9.760 1.00 0.00 C ATOM 1034 O TRP A 67 4.005 -1.130 -9.798 1.00 0.00 O ATOM 1035 CB TRP A 67 4.171 2.033 -8.383 1.00 0.00 C ATOM 1036 CG TRP A 67 3.918 2.537 -6.942 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.463 3.636 -6.305 1.00 0.00 C ATOM 1038 CD2 TRP A 67 3.031 1.939 -5.941 1.00 0.00 C ATOM 1039 NE1 TRP A 67 3.929 3.759 -5.049 1.00 0.00 N ATOM 1040 CE2 TRP A 67 3.055 2.734 -4.757 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.197 0.794 -5.953 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 2.285 2.407 -3.635 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.424 0.456 -4.823 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.470 1.261 -3.665 1.00 0.00 C ATOM 0 H TRP A 67 6.647 1.845 -8.504 1.00 0.00 H new ATOM 0 HA TRP A 67 4.499 0.108 -7.584 1.00 0.00 H new ATOM 0 HB2 TRP A 67 4.765 2.772 -8.921 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.218 1.950 -8.905 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.200 4.299 -6.733 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.152 4.519 -4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.153 0.174 -6.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.316 3.030 -2.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.795 -0.422 -4.844 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.879 0.997 -2.801 1.00 0.00 H new ATOM 1055 N LYS A 68 5.312 0.338 -10.827 1.00 0.00 N ATOM 1056 CA LYS A 68 5.180 -0.388 -12.153 1.00 0.00 C ATOM 1057 C LYS A 68 5.548 -1.841 -11.915 1.00 0.00 C ATOM 1058 O LYS A 68 4.888 -2.764 -12.344 1.00 0.00 O ATOM 1059 CB LYS A 68 6.143 0.218 -13.249 1.00 0.00 C ATOM 1060 CG LYS A 68 5.896 -0.332 -14.718 1.00 0.00 C ATOM 1061 CD LYS A 68 4.616 0.295 -15.353 1.00 0.00 C ATOM 1062 CE LYS A 68 4.343 -0.318 -16.737 1.00 0.00 C ATOM 1063 NZ LYS A 68 5.380 0.142 -17.702 1.00 0.00 N ATOM 0 H LYS A 68 5.921 1.156 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 68 4.159 -0.284 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.028 1.302 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.174 0.008 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.761 -0.108 -15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.796 -1.417 -14.690 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.760 0.127 -14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.740 1.374 -15.445 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.350 -1.406 -16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.352 -0.026 -17.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.120 -0.161 -18.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.446 1.179 -17.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.300 -0.271 -17.446 1.00 0.00 H new ATOM 1077 N ALA A 69 6.640 -2.012 -11.258 1.00 0.00 N ATOM 1078 CA ALA A 69 7.162 -3.340 -10.976 1.00 0.00 C ATOM 1079 C ALA A 69 6.187 -4.109 -10.078 1.00 0.00 C ATOM 1080 O ALA A 69 5.923 -5.261 -10.311 1.00 0.00 O ATOM 1081 CB ALA A 69 8.532 -3.204 -10.317 1.00 0.00 C ATOM 0 H ALA A 69 7.210 -1.249 -10.893 1.00 0.00 H new ATOM 0 HA ALA A 69 7.272 -3.903 -11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.932 -4.195 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.209 -2.678 -10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.435 -2.642 -9.388 1.00 0.00 H new ATOM 1087 N PHE A 70 5.640 -3.482 -9.069 1.00 0.00 N ATOM 1088 CA PHE A 70 4.668 -4.207 -8.166 1.00 0.00 C ATOM 1089 C PHE A 70 3.444 -4.656 -8.966 1.00 0.00 C ATOM 1090 O PHE A 70 2.982 -5.770 -8.841 1.00 0.00 O ATOM 1091 CB PHE A 70 4.182 -3.271 -7.079 1.00 0.00 C ATOM 1092 CG PHE A 70 3.221 -3.920 -6.109 1.00 0.00 C ATOM 1093 CD1 PHE A 70 3.631 -5.053 -5.382 1.00 0.00 C ATOM 1094 CD2 PHE A 70 1.901 -3.444 -5.990 1.00 0.00 C ATOM 1095 CE1 PHE A 70 2.724 -5.711 -4.533 1.00 0.00 C ATOM 1096 CE2 PHE A 70 0.995 -4.097 -5.134 1.00 0.00 C ATOM 1097 CZ PHE A 70 1.404 -5.233 -4.410 1.00 0.00 C ATOM 0 H PHE A 70 5.816 -2.508 -8.824 1.00 0.00 H new ATOM 0 HA PHE A 70 5.180 -5.068 -7.735 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.042 -2.891 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.695 -2.412 -7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.643 -5.417 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.585 -2.579 -6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.038 -6.581 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.014 -3.727 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.706 -5.739 -3.760 1.00 0.00 H new ATOM 1107 N SER A 71 2.915 -3.781 -9.792 1.00 0.00 N ATOM 1108 CA SER A 71 1.723 -4.169 -10.594 1.00 0.00 C ATOM 1109 C SER A 71 2.050 -5.412 -11.430 1.00 0.00 C ATOM 1110 O SER A 71 1.250 -6.320 -11.558 1.00 0.00 O ATOM 1111 CB SER A 71 1.339 -3.018 -11.523 1.00 0.00 C ATOM 1112 OG SER A 71 0.943 -1.895 -10.748 1.00 0.00 O ATOM 0 H SER A 71 3.255 -2.831 -9.940 1.00 0.00 H new ATOM 0 HA SER A 71 0.892 -4.390 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.183 -2.754 -12.160 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.526 -3.324 -12.181 1.00 0.00 H new ATOM 0 HG SER A 71 1.735 -1.473 -10.355 1.00 0.00 H new ATOM 1118 N ARG A 72 3.225 -5.442 -11.995 1.00 0.00 N ATOM 1119 CA ARG A 72 3.639 -6.612 -12.825 1.00 0.00 C ATOM 1120 C ARG A 72 3.617 -7.899 -11.980 1.00 0.00 C ATOM 1121 O ARG A 72 3.167 -8.936 -12.423 1.00 0.00 O ATOM 1122 CB ARG A 72 5.057 -6.325 -13.362 1.00 0.00 C ATOM 1123 CG ARG A 72 5.537 -7.435 -14.305 1.00 0.00 C ATOM 1124 CD ARG A 72 6.914 -7.070 -14.868 1.00 0.00 C ATOM 1125 NE ARG A 72 6.793 -5.859 -15.729 1.00 0.00 N ATOM 1126 CZ ARG A 72 7.719 -5.588 -16.611 1.00 0.00 C ATOM 1127 NH1 ARG A 72 8.752 -6.380 -16.733 1.00 0.00 N ATOM 1128 NH2 ARG A 72 7.610 -4.531 -17.367 1.00 0.00 N ATOM 0 H ARG A 72 3.922 -4.702 -11.918 1.00 0.00 H new ATOM 0 HA ARG A 72 2.950 -6.759 -13.656 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.061 -5.371 -13.890 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.751 -6.230 -12.527 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.591 -8.383 -13.770 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.824 -7.569 -15.118 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.614 -6.882 -14.054 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.315 -7.902 -15.447 1.00 0.00 H new ATOM 0 HE ARG A 72 5.987 -5.242 -15.630 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.834 -7.207 -16.141 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.476 -6.171 -17.420 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.802 -3.916 -17.270 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.333 -4.320 -18.055 1.00 0.00 H new ATOM 1142 N GLN A 73 4.110 -7.843 -10.777 1.00 0.00 N ATOM 1143 CA GLN A 73 4.114 -9.051 -9.898 1.00 0.00 C ATOM 1144 C GLN A 73 2.695 -9.642 -9.753 1.00 0.00 C ATOM 1145 O GLN A 73 2.508 -10.850 -9.752 1.00 0.00 O ATOM 1146 CB GLN A 73 4.614 -8.657 -8.493 1.00 0.00 C ATOM 1147 CG GLN A 73 6.097 -8.274 -8.501 1.00 0.00 C ATOM 1148 CD GLN A 73 6.550 -7.974 -7.038 1.00 0.00 C ATOM 1149 OE1 GLN A 73 5.915 -8.407 -6.103 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.614 -7.216 -6.805 1.00 0.00 N ATOM 0 H GLN A 73 4.515 -7.006 -10.358 1.00 0.00 H new ATOM 0 HA GLN A 73 4.767 -9.796 -10.353 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.025 -7.819 -8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.457 -9.488 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.693 -9.084 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.257 -7.400 -9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.157 -6.845 -7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.889 -7.004 -5.846 1.00 0.00 H new ATOM 1159 N LEU A 74 1.701 -8.798 -9.589 1.00 0.00 N ATOM 1160 CA LEU A 74 0.287 -9.286 -9.413 1.00 0.00 C ATOM 1161 C LEU A 74 -0.250 -10.019 -10.654 1.00 0.00 C ATOM 1162 O LEU A 74 -1.017 -10.956 -10.541 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.620 -8.080 -9.121 1.00 0.00 C ATOM 1164 CG LEU A 74 -0.006 -7.220 -7.981 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.837 -5.928 -7.769 1.00 0.00 C ATOM 1166 CD2 LEU A 74 0.069 -8.018 -6.647 1.00 0.00 C ATOM 0 H LEU A 74 1.807 -7.784 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 74 0.287 -9.997 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.738 -7.476 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.614 -8.423 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 74 1.007 -6.953 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.393 -5.338 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.843 -5.344 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.860 -6.193 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.503 -7.388 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.934 -8.323 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.691 -8.902 -6.787 1.00 0.00 H new ATOM 1178 N ILE A 75 0.094 -9.571 -11.826 1.00 0.00 N ATOM 1179 CA ILE A 75 -0.415 -10.246 -13.064 1.00 0.00 C ATOM 1180 C ILE A 75 0.024 -11.716 -13.143 1.00 0.00 C ATOM 1181 O ILE A 75 -0.770 -12.592 -13.428 1.00 0.00 O ATOM 1182 CB ILE A 75 0.116 -9.500 -14.288 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.301 -8.028 -14.201 1.00 0.00 C ATOM 1184 CG2 ILE A 75 -0.461 -10.122 -15.559 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.379 -7.231 -15.319 1.00 0.00 C ATOM 0 H ILE A 75 0.704 -8.769 -11.987 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.504 -10.225 -13.035 1.00 0.00 H new ATOM 0 HB ILE A 75 1.203 -9.571 -14.316 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.384 -7.941 -14.287 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.024 -7.619 -13.229 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.081 -9.588 -16.430 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.166 -11.170 -15.618 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.549 -10.052 -15.537 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.080 -6.185 -15.254 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.461 -7.306 -15.213 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.080 -7.634 -16.287 1.00 0.00 H new ATOM 1197 N THR A 76 1.282 -11.991 -12.943 1.00 0.00 N ATOM 1198 CA THR A 76 1.771 -13.405 -13.019 1.00 0.00 C ATOM 1199 C THR A 76 1.205 -14.261 -11.877 1.00 0.00 C ATOM 1200 O THR A 76 0.857 -15.408 -12.079 1.00 0.00 O ATOM 1201 CB THR A 76 3.301 -13.416 -12.951 1.00 0.00 C ATOM 1202 OG1 THR A 76 3.817 -12.480 -13.887 1.00 0.00 O ATOM 1203 CG2 THR A 76 3.828 -14.815 -13.284 1.00 0.00 C ATOM 0 H THR A 76 1.999 -11.298 -12.729 1.00 0.00 H new ATOM 0 HA THR A 76 1.429 -13.831 -13.962 1.00 0.00 H new ATOM 0 HB THR A 76 3.620 -13.145 -11.944 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.796 -12.482 -13.846 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.917 -14.815 -13.234 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.431 -15.533 -12.567 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.511 -15.093 -14.289 1.00 0.00 H new ATOM 1211 N GLU A 77 1.131 -13.743 -10.682 1.00 0.00 N ATOM 1212 CA GLU A 77 0.607 -14.573 -9.552 1.00 0.00 C ATOM 1213 C GLU A 77 -0.874 -14.930 -9.764 1.00 0.00 C ATOM 1214 O GLU A 77 -1.346 -15.931 -9.266 1.00 0.00 O ATOM 1215 CB GLU A 77 0.757 -13.787 -8.243 1.00 0.00 C ATOM 1216 CG GLU A 77 2.243 -13.595 -7.927 1.00 0.00 C ATOM 1217 CD GLU A 77 2.384 -12.723 -6.681 1.00 0.00 C ATOM 1218 OE1 GLU A 77 1.369 -12.268 -6.180 1.00 0.00 O ATOM 1219 OE2 GLU A 77 3.505 -12.525 -6.241 1.00 0.00 O ATOM 0 H GLU A 77 1.406 -12.792 -10.437 1.00 0.00 H new ATOM 0 HA GLU A 77 1.179 -15.500 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.265 -12.818 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.268 -14.321 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.720 -14.561 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.749 -13.127 -8.772 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.624 -14.124 -10.471 1.00 0.00 N ATOM 1227 CA GLY A 78 -3.070 -14.458 -10.690 1.00 0.00 C ATOM 1228 C GLY A 78 -3.911 -13.509 -9.833 1.00 0.00 C ATOM 1229 O GLY A 78 -5.036 -13.177 -10.153 1.00 0.00 O ATOM 0 H GLY A 78 -1.305 -13.257 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.330 -14.352 -11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.267 -15.494 -10.416 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.333 -13.048 -8.763 1.00 0.00 N ATOM 1234 CA PHE A 79 -4.011 -12.099 -7.834 1.00 0.00 C ATOM 1235 C PHE A 79 -4.729 -11.021 -8.656 1.00 0.00 C ATOM 1236 O PHE A 79 -5.753 -10.511 -8.258 1.00 0.00 O ATOM 1237 CB PHE A 79 -2.899 -11.461 -6.988 1.00 0.00 C ATOM 1238 CG PHE A 79 -2.686 -12.233 -5.697 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.112 -13.518 -5.750 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.061 -11.685 -4.449 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -1.911 -14.252 -4.565 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -2.857 -12.422 -3.267 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.280 -13.704 -3.326 1.00 0.00 C ATOM 0 H PHE A 79 -2.385 -13.298 -8.483 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.747 -12.598 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.971 -11.437 -7.559 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.159 -10.427 -6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.825 -13.941 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.504 -10.701 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.472 -15.238 -4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.144 -12.003 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.121 -14.267 -2.418 1.00 0.00 H new ATOM 1253 N LEU A 80 -4.175 -10.639 -9.785 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.819 -9.567 -10.614 1.00 0.00 C ATOM 1255 C LEU A 80 -4.681 -9.873 -12.120 1.00 0.00 C ATOM 1256 O LEU A 80 -3.734 -10.481 -12.574 1.00 0.00 O ATOM 1257 CB LEU A 80 -4.117 -8.225 -10.280 1.00 0.00 C ATOM 1258 CG LEU A 80 -4.840 -7.012 -10.897 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -6.120 -6.688 -10.108 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -3.898 -5.791 -10.953 1.00 0.00 C ATOM 0 H LEU A 80 -3.310 -11.021 -10.166 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.884 -9.515 -10.386 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.069 -8.103 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.090 -8.255 -10.644 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.128 -7.262 -11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.617 -5.829 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.789 -7.548 -10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.862 -6.457 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.426 -4.944 -11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.575 -5.534 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.027 -6.031 -11.563 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.638 -9.405 -12.877 1.00 0.00 N ATOM 1273 CA VAL A 81 -5.650 -9.589 -14.359 1.00 0.00 C ATOM 1274 C VAL A 81 -5.832 -8.192 -14.962 1.00 0.00 C ATOM 1275 O VAL A 81 -6.590 -7.409 -14.441 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.824 -10.489 -14.768 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -8.143 -9.717 -14.628 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.644 -10.935 -16.227 1.00 0.00 C ATOM 0 H VAL A 81 -6.438 -8.885 -12.517 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.731 -10.060 -14.708 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.849 -11.365 -14.119 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.974 -10.360 -14.919 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.273 -9.404 -13.592 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.121 -8.838 -15.273 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.478 -11.574 -16.518 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.616 -10.059 -16.875 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.711 -11.489 -16.326 1.00 0.00 H new ATOM 1288 N GLU A 82 -5.152 -7.844 -16.027 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.344 -6.460 -16.593 1.00 0.00 C ATOM 1290 C GLU A 82 -5.913 -6.511 -18.002 1.00 0.00 C ATOM 1291 O GLU A 82 -5.397 -7.198 -18.861 1.00 0.00 O ATOM 1292 CB GLU A 82 -4.001 -5.718 -16.595 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.438 -5.656 -15.171 1.00 0.00 C ATOM 1294 CD GLU A 82 -2.094 -4.919 -15.179 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.707 -4.446 -16.233 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.480 -4.842 -14.128 1.00 0.00 O ATOM 0 H GLU A 82 -4.487 -8.437 -16.523 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.058 -5.928 -15.965 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.296 -6.226 -17.253 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.133 -4.710 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.141 -5.144 -14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.309 -6.664 -14.776 1.00 0.00 H new ATOM 1303 N VAL A 83 -6.976 -5.774 -18.268 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.537 -5.805 -19.642 1.00 0.00 C ATOM 1305 C VAL A 83 -6.910 -4.669 -20.435 1.00 0.00 C ATOM 1306 O VAL A 83 -7.056 -3.479 -20.149 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.058 -5.666 -19.601 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -9.650 -5.997 -20.973 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.628 -6.641 -18.562 1.00 0.00 C ATOM 0 H VAL A 83 -7.460 -5.171 -17.603 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.309 -6.758 -20.120 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.316 -4.641 -19.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.735 -5.896 -20.935 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.247 -5.311 -21.718 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.391 -7.020 -21.244 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.713 -6.545 -18.530 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.362 -7.662 -18.837 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.214 -6.410 -17.581 1.00 0.00 H new ATOM 1319 N SER A 84 -6.247 -5.068 -21.460 1.00 0.00 N ATOM 1320 CA SER A 84 -5.584 -4.130 -22.371 1.00 0.00 C ATOM 1321 C SER A 84 -6.567 -3.666 -23.416 1.00 0.00 C ATOM 1322 O SER A 84 -6.282 -2.765 -24.161 1.00 0.00 O ATOM 1323 CB SER A 84 -4.339 -4.751 -23.009 1.00 0.00 C ATOM 1324 OG SER A 84 -3.683 -3.773 -23.804 1.00 0.00 O ATOM 0 H SER A 84 -6.133 -6.049 -21.714 1.00 0.00 H new ATOM 0 HA SER A 84 -5.244 -3.267 -21.799 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.665 -5.120 -22.236 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.619 -5.607 -23.623 1.00 0.00 H new ATOM 0 HG SER A 84 -4.351 -3.204 -24.240 1.00 0.00 H new ATOM 1330 N ARG A 85 -7.688 -4.327 -23.570 1.00 0.00 N ATOM 1331 CA ARG A 85 -8.627 -3.921 -24.658 1.00 0.00 C ATOM 1332 C ARG A 85 -9.505 -2.774 -24.152 1.00 0.00 C ATOM 1333 O ARG A 85 -10.560 -2.438 -24.647 1.00 0.00 O ATOM 1334 CB ARG A 85 -9.511 -5.121 -25.035 1.00 0.00 C ATOM 1335 CG ARG A 85 -8.686 -6.202 -25.798 1.00 0.00 C ATOM 1336 CD ARG A 85 -9.572 -7.415 -26.121 1.00 0.00 C ATOM 1337 NE ARG A 85 -8.775 -8.439 -26.850 1.00 0.00 N ATOM 1338 CZ ARG A 85 -9.340 -9.552 -27.229 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -10.598 -9.768 -26.963 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -8.648 -10.451 -27.875 1.00 0.00 N ATOM 0 H ARG A 85 -7.989 -5.117 -22.999 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.067 -3.595 -25.534 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.943 -5.557 -24.134 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.341 -4.785 -25.657 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.284 -5.780 -26.719 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.835 -6.515 -25.193 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.973 -7.840 -25.201 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.424 -7.104 -26.726 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.790 -8.271 -27.053 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.140 -9.067 -26.459 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.040 -10.638 -27.259 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.664 -10.284 -28.084 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.092 -11.321 -28.171 1.00 0.00 H new ATOM 1354 N TYR A 86 -9.025 -2.292 -23.040 1.00 0.00 N ATOM 1355 CA TYR A 86 -9.648 -1.245 -22.192 1.00 0.00 C ATOM 1356 C TYR A 86 -8.623 -0.271 -21.579 1.00 0.00 C ATOM 1357 O TYR A 86 -7.776 -0.635 -20.787 1.00 0.00 O ATOM 1358 CB TYR A 86 -10.379 -2.005 -21.047 1.00 0.00 C ATOM 1359 CG TYR A 86 -11.760 -2.446 -21.500 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -11.913 -3.592 -22.309 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -12.894 -1.701 -21.114 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -13.194 -3.994 -22.726 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -14.176 -2.109 -21.532 1.00 0.00 C ATOM 1364 CZ TYR A 86 -14.327 -3.252 -22.339 1.00 0.00 C ATOM 1365 OH TYR A 86 -15.582 -3.648 -22.750 1.00 0.00 O ATOM 0 H TYR A 86 -8.139 -2.620 -22.656 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.315 -0.636 -22.802 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.793 -2.874 -20.747 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.465 -1.361 -20.172 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.045 -4.161 -22.608 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.780 -0.820 -20.500 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.309 -4.872 -23.344 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.046 -1.543 -21.232 1.00 0.00 H new ATOM 0 HH TYR A 86 -16.253 -3.028 -22.395 1.00 0.00 H new ATOM 1375 N ASN A 87 -8.701 0.953 -22.050 1.00 0.00 N ATOM 1376 CA ASN A 87 -7.784 2.092 -21.689 1.00 0.00 C ATOM 1377 C ASN A 87 -6.370 1.788 -22.205 1.00 0.00 C ATOM 1378 O ASN A 87 -5.480 1.507 -21.429 1.00 0.00 O ATOM 1379 CB ASN A 87 -7.732 2.301 -20.171 1.00 0.00 C ATOM 1380 CG ASN A 87 -9.055 2.907 -19.695 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -9.926 3.196 -20.488 1.00 0.00 O ATOM 1382 ND2 ASN A 87 -9.240 3.106 -18.417 1.00 0.00 N ATOM 0 H ASN A 87 -9.419 1.227 -22.721 1.00 0.00 H new ATOM 0 HA ASN A 87 -8.169 3.002 -22.150 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.553 1.351 -19.668 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.903 2.960 -19.912 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.118 3.505 -18.085 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.506 2.862 -17.751 1.00 0.00 H new ATOM 1389 N LYS A 88 -6.118 1.962 -23.480 1.00 0.00 N ATOM 1390 CA LYS A 88 -4.720 1.763 -23.986 1.00 0.00 C ATOM 1391 C LYS A 88 -3.843 2.803 -23.274 1.00 0.00 C ATOM 1392 O LYS A 88 -2.631 2.797 -23.336 1.00 0.00 O ATOM 1393 CB LYS A 88 -4.670 2.004 -25.499 1.00 0.00 C ATOM 1394 CG LYS A 88 -3.272 1.685 -26.038 1.00 0.00 C ATOM 1395 CD LYS A 88 -3.270 1.862 -27.558 1.00 0.00 C ATOM 1396 CE LYS A 88 -1.877 1.540 -28.101 1.00 0.00 C ATOM 1397 NZ LYS A 88 -1.682 0.062 -28.121 1.00 0.00 N ATOM 0 H LYS A 88 -6.806 2.229 -24.184 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.375 0.748 -23.791 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.412 1.381 -25.999 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.925 3.041 -25.718 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.533 2.344 -25.582 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.992 0.664 -25.778 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.011 1.205 -28.013 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.547 2.884 -27.817 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.764 1.946 -29.106 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.115 2.010 -27.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.803 -0.165 -28.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.621 -0.293 -27.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.486 -0.388 -28.604 1.00 0.00 H new ATOM 1411 N PHE A 89 -4.514 3.670 -22.551 1.00 0.00 N ATOM 1412 CA PHE A 89 -3.877 4.765 -21.758 1.00 0.00 C ATOM 1413 C PHE A 89 -3.315 4.084 -20.512 1.00 0.00 C ATOM 1414 O PHE A 89 -2.133 4.092 -20.243 1.00 0.00 O ATOM 1415 CB PHE A 89 -4.916 5.817 -21.367 1.00 0.00 C ATOM 1416 CG PHE A 89 -5.181 6.721 -22.548 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -4.403 7.876 -22.738 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -6.200 6.402 -23.463 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -4.645 8.719 -23.842 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -6.445 7.242 -24.566 1.00 0.00 C ATOM 1421 CZ PHE A 89 -5.665 8.399 -24.756 1.00 0.00 C ATOM 0 H PHE A 89 -5.531 3.658 -22.478 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.103 5.280 -22.326 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.840 5.332 -21.051 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.557 6.402 -20.520 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.618 8.118 -22.037 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.795 5.512 -23.320 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.049 9.608 -23.985 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.231 6.999 -25.266 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.850 9.041 -25.604 1.00 0.00 H new ATOM 1431 N MET A 90 -4.212 3.611 -19.703 1.00 0.00 N ATOM 1432 CA MET A 90 -3.877 3.011 -18.378 1.00 0.00 C ATOM 1433 C MET A 90 -4.383 1.594 -18.136 1.00 0.00 C ATOM 1434 O MET A 90 -4.691 1.178 -17.039 1.00 0.00 O ATOM 1435 CB MET A 90 -4.465 3.893 -17.269 1.00 0.00 C ATOM 1436 CG MET A 90 -4.369 5.389 -17.651 1.00 0.00 C ATOM 1437 SD MET A 90 -5.952 5.943 -18.331 1.00 0.00 S ATOM 1438 CE MET A 90 -6.788 6.254 -16.753 1.00 0.00 C ATOM 0 H MET A 90 -5.210 3.614 -19.912 1.00 0.00 H new ATOM 0 HA MET A 90 -2.788 2.956 -18.371 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.507 3.623 -17.097 1.00 0.00 H new ATOM 0 HB3 MET A 90 -3.931 3.716 -16.335 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.110 5.983 -16.774 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.575 5.538 -18.383 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.801 6.611 -16.942 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.830 5.331 -16.175 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.236 7.008 -16.191 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.397 0.862 -19.234 1.00 0.00 N ATOM 1449 CA LYS A 91 -4.797 -0.571 -19.263 1.00 0.00 C ATOM 1450 C LYS A 91 -5.782 -0.930 -18.167 1.00 0.00 C ATOM 1451 O LYS A 91 -5.347 -1.271 -17.092 1.00 0.00 O ATOM 1452 CB LYS A 91 -3.518 -1.463 -19.154 1.00 0.00 C ATOM 1453 CG LYS A 91 -2.416 -1.105 -20.221 1.00 0.00 C ATOM 1454 CD LYS A 91 -2.880 -1.507 -21.654 1.00 0.00 C ATOM 1455 CE LYS A 91 -1.804 -1.184 -22.722 1.00 0.00 C ATOM 1456 NZ LYS A 91 -2.299 -1.596 -24.061 1.00 0.00 N ATOM 0 H LYS A 91 -4.133 1.229 -20.148 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.307 -0.752 -20.209 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.094 -1.358 -18.155 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.802 -2.509 -19.272 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.206 -0.036 -20.189 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.487 -1.620 -19.977 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.105 -2.573 -21.677 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.803 -0.981 -21.898 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.580 -0.117 -22.717 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.876 -1.706 -22.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.519 -1.555 -24.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.666 -2.568 -24.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.059 -0.954 -24.363 1.00 0.00 H new ATOM 1470 N ILE A 92 -7.109 -0.930 -18.352 1.00 0.00 N ATOM 1471 CA ILE A 92 -7.860 -1.312 -17.111 1.00 0.00 C ATOM 1472 C ILE A 92 -7.282 -2.455 -16.276 1.00 0.00 C ATOM 1473 O ILE A 92 -7.113 -3.569 -16.733 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.369 -1.557 -17.480 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -10.088 -0.236 -17.872 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -10.095 -2.231 -16.303 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -10.077 0.763 -16.699 1.00 0.00 C ATOM 0 H ILE A 92 -7.636 -0.711 -19.198 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.754 -0.463 -16.436 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.398 -2.216 -18.348 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.596 0.208 -18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -11.116 -0.449 -18.164 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.139 -2.397 -16.567 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.620 -3.187 -16.082 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.041 -1.587 -15.425 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.586 1.680 -16.997 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.590 0.325 -15.843 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.047 0.992 -16.426 1.00 0.00 H new ATOM 1489 N CYS A 93 -7.139 -2.212 -14.979 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.691 -3.300 -14.100 1.00 0.00 C ATOM 1491 C CYS A 93 -8.029 -3.902 -13.636 1.00 0.00 C ATOM 1492 O CYS A 93 -8.929 -3.172 -13.272 1.00 0.00 O ATOM 1493 CB CYS A 93 -5.894 -2.746 -12.909 1.00 0.00 C ATOM 1494 SG CYS A 93 -4.140 -2.640 -13.358 1.00 0.00 S ATOM 0 H CYS A 93 -7.315 -1.317 -14.522 1.00 0.00 H new ATOM 0 HA CYS A 93 -6.028 -4.018 -14.583 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.270 -1.761 -12.632 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.020 -3.392 -12.040 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.463 -2.170 -12.353 1.00 0.00 H new ATOM 1500 N ALA A 94 -8.212 -5.187 -13.698 1.00 0.00 N ATOM 1501 CA ALA A 94 -9.528 -5.776 -13.285 1.00 0.00 C ATOM 1502 C ALA A 94 -9.361 -6.779 -12.151 1.00 0.00 C ATOM 1503 O ALA A 94 -8.393 -7.514 -12.077 1.00 0.00 O ATOM 1504 CB ALA A 94 -10.144 -6.487 -14.496 1.00 0.00 C ATOM 0 H ALA A 94 -7.514 -5.860 -14.015 1.00 0.00 H new ATOM 0 HA ALA A 94 -10.173 -4.972 -12.932 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.103 -6.922 -14.214 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.295 -5.769 -15.302 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.473 -7.277 -14.834 1.00 0.00 H new ATOM 1510 N LEU A 95 -10.325 -6.825 -11.270 1.00 0.00 N ATOM 1511 CA LEU A 95 -10.270 -7.777 -10.118 1.00 0.00 C ATOM 1512 C LEU A 95 -10.919 -9.096 -10.548 1.00 0.00 C ATOM 1513 O LEU A 95 -11.998 -9.111 -11.117 1.00 0.00 O ATOM 1514 CB LEU A 95 -11.013 -7.173 -8.910 1.00 0.00 C ATOM 1515 CG LEU A 95 -10.342 -5.868 -8.464 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -11.246 -5.118 -7.471 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -9.007 -6.202 -7.791 1.00 0.00 C ATOM 0 H LEU A 95 -11.158 -6.237 -11.299 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.236 -7.960 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.053 -6.982 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.019 -7.886 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.174 -5.232 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.758 -4.193 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.197 -4.884 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.424 -5.744 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.521 -5.281 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.186 -6.839 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.363 -6.724 -8.499 1.00 0.00 H new ATOM 1529 N THR A 96 -10.272 -10.210 -10.298 1.00 0.00 N ATOM 1530 CA THR A 96 -10.842 -11.543 -10.696 1.00 0.00 C ATOM 1531 C THR A 96 -11.623 -12.153 -9.527 1.00 0.00 C ATOM 1532 O THR A 96 -11.818 -11.531 -8.499 1.00 0.00 O ATOM 1533 CB THR A 96 -9.693 -12.479 -11.076 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.676 -12.404 -10.082 1.00 0.00 O ATOM 1535 CG2 THR A 96 -9.120 -12.064 -12.431 1.00 0.00 C ATOM 0 H THR A 96 -9.366 -10.256 -9.832 1.00 0.00 H new ATOM 0 HA THR A 96 -11.516 -11.409 -11.542 1.00 0.00 H new ATOM 0 HB THR A 96 -10.063 -13.502 -11.142 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.939 -13.004 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.302 -12.732 -12.700 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.901 -12.123 -13.190 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.749 -11.041 -12.371 1.00 0.00 H new ATOM 1543 N LYS A 97 -12.069 -13.372 -9.678 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.835 -14.044 -8.584 1.00 0.00 C ATOM 1545 C LYS A 97 -11.965 -14.114 -7.329 1.00 0.00 C ATOM 1546 O LYS A 97 -12.408 -13.813 -6.238 1.00 0.00 O ATOM 1547 CB LYS A 97 -13.212 -15.460 -9.016 1.00 0.00 C ATOM 1548 CG LYS A 97 -14.066 -15.399 -10.292 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.439 -14.764 -10.003 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.427 -15.109 -11.120 1.00 0.00 C ATOM 1551 NZ LYS A 97 -17.775 -14.582 -10.770 1.00 0.00 N ATOM 0 H LYS A 97 -11.935 -13.936 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.741 -13.476 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.312 -16.048 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.765 -15.959 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.546 -14.820 -11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.202 -16.404 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.820 -15.123 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.337 -13.682 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.090 -14.679 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.472 -16.189 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.447 -14.816 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.095 -15.012 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.726 -13.549 -10.658 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.731 -14.514 -7.477 1.00 0.00 N ATOM 1566 CA LYS A 98 -9.820 -14.620 -6.301 1.00 0.00 C ATOM 1567 C LYS A 98 -9.487 -13.219 -5.780 1.00 0.00 C ATOM 1568 O LYS A 98 -9.450 -12.984 -4.587 1.00 0.00 O ATOM 1569 CB LYS A 98 -8.538 -15.398 -6.722 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.681 -14.655 -7.779 1.00 0.00 C ATOM 1571 CD LYS A 98 -6.436 -15.475 -8.138 1.00 0.00 C ATOM 1572 CE LYS A 98 -6.815 -16.555 -9.157 1.00 0.00 C ATOM 1573 NZ LYS A 98 -5.583 -17.222 -9.662 1.00 0.00 N ATOM 0 H LYS A 98 -10.312 -14.774 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.304 -15.168 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.929 -15.584 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.827 -16.371 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.275 -14.475 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.382 -13.680 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.665 -14.824 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.019 -15.935 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.475 -17.289 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.365 -16.110 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.833 -18.138 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.131 -16.620 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.923 -17.375 -8.873 1.00 0.00 H new ATOM 1587 N GLY A 99 -9.180 -12.310 -6.651 1.00 0.00 N ATOM 1588 CA GLY A 99 -8.797 -10.939 -6.187 1.00 0.00 C ATOM 1589 C GLY A 99 -10.008 -10.210 -5.580 1.00 0.00 C ATOM 1590 O GLY A 99 -9.866 -9.535 -4.603 1.00 0.00 O ATOM 0 H GLY A 99 -9.175 -12.447 -7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.001 -11.010 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.403 -10.364 -7.025 1.00 0.00 H new ATOM 1594 N ARG A 100 -11.190 -10.365 -6.115 1.00 0.00 N ATOM 1595 CA ARG A 100 -12.390 -9.665 -5.518 1.00 0.00 C ATOM 1596 C ARG A 100 -12.677 -10.251 -4.130 1.00 0.00 C ATOM 1597 O ARG A 100 -12.923 -9.525 -3.134 1.00 0.00 O ATOM 1598 CB ARG A 100 -13.607 -9.887 -6.422 1.00 0.00 C ATOM 1599 CG ARG A 100 -14.802 -9.114 -5.867 1.00 0.00 C ATOM 1600 CD ARG A 100 -15.992 -9.259 -6.818 1.00 0.00 C ATOM 1601 NE ARG A 100 -15.698 -8.555 -8.095 1.00 0.00 N ATOM 1602 CZ ARG A 100 -16.589 -8.528 -9.049 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -17.738 -9.129 -8.886 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -16.331 -7.902 -10.162 1.00 0.00 N ATOM 0 H ARG A 100 -11.387 -10.940 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 100 -12.187 -8.597 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.385 -9.555 -7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.842 -10.950 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.065 -9.491 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -14.544 -8.062 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.191 -10.313 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -16.889 -8.843 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 100 -14.798 -8.092 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.938 -9.619 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.435 -9.108 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.434 -7.434 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.026 -7.880 -10.908 1.00 0.00 H new ATOM 1618 N ASN A 101 -12.593 -11.564 -4.024 1.00 0.00 N ATOM 1619 CA ASN A 101 -12.815 -12.203 -2.706 1.00 0.00 C ATOM 1620 C ASN A 101 -11.695 -11.690 -1.828 1.00 0.00 C ATOM 1621 O ASN A 101 -11.890 -11.331 -0.691 1.00 0.00 O ATOM 1622 CB ASN A 101 -12.745 -13.733 -2.823 1.00 0.00 C ATOM 1623 CG ASN A 101 -14.046 -14.259 -3.437 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -14.060 -14.718 -4.561 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -15.148 -14.213 -2.740 1.00 0.00 N ATOM 0 H ASN A 101 -12.382 -12.202 -4.791 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.799 -11.966 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.896 -14.022 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.589 -14.177 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -16.019 -14.562 -3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -15.138 -13.828 -1.796 1.00 0.00 H new ATOM 1632 N TRP A 102 -10.522 -11.535 -2.392 1.00 0.00 N ATOM 1633 CA TRP A 102 -9.424 -10.974 -1.582 1.00 0.00 C ATOM 1634 C TRP A 102 -9.788 -9.567 -1.053 1.00 0.00 C ATOM 1635 O TRP A 102 -9.671 -9.278 0.119 1.00 0.00 O ATOM 1636 CB TRP A 102 -8.132 -10.860 -2.406 1.00 0.00 C ATOM 1637 CG TRP A 102 -6.977 -11.024 -1.462 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -6.457 -12.201 -1.091 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -6.270 -10.013 -0.701 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -5.461 -11.988 -0.155 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -5.302 -10.653 0.119 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -6.363 -8.613 -0.648 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -4.461 -9.922 0.970 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -5.523 -7.876 0.202 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -4.577 -8.523 1.008 1.00 0.00 C ATOM 0 H TRP A 102 -10.291 -11.770 -3.357 1.00 0.00 H new ATOM 0 HA TRP A 102 -9.268 -11.654 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.104 -11.625 -3.182 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.082 -9.894 -2.908 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -6.767 -13.166 -1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.913 -12.731 0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -7.085 -8.100 -1.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.734 -10.428 1.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -5.607 -6.800 0.235 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.937 -7.946 1.659 1.00 0.00 H new ATOM 1656 N LEU A 103 -10.206 -8.699 -1.951 1.00 0.00 N ATOM 1657 CA LEU A 103 -10.562 -7.290 -1.603 1.00 0.00 C ATOM 1658 C LEU A 103 -11.733 -7.266 -0.609 1.00 0.00 C ATOM 1659 O LEU A 103 -11.720 -6.526 0.357 1.00 0.00 O ATOM 1660 CB LEU A 103 -11.001 -6.557 -2.888 1.00 0.00 C ATOM 1661 CG LEU A 103 -11.580 -5.149 -2.563 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -10.544 -4.302 -1.818 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -11.958 -4.435 -3.867 1.00 0.00 C ATOM 0 H LEU A 103 -10.316 -8.922 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.695 -6.805 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.150 -6.456 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.752 -7.150 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.461 -5.274 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.966 -3.321 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.272 -4.797 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.656 -4.185 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.363 -3.449 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.072 -4.327 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.708 -5.021 -4.398 1.00 0.00 H new ATOM 1675 N HIS A 104 -12.753 -8.047 -0.840 1.00 0.00 N ATOM 1676 CA HIS A 104 -13.928 -8.040 0.085 1.00 0.00 C ATOM 1677 C HIS A 104 -13.710 -8.858 1.374 1.00 0.00 C ATOM 1678 O HIS A 104 -14.407 -8.640 2.346 1.00 0.00 O ATOM 1679 CB HIS A 104 -15.140 -8.613 -0.655 1.00 0.00 C ATOM 1680 CG HIS A 104 -15.653 -7.608 -1.653 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -16.748 -6.795 -1.392 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -15.233 -7.277 -2.920 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -16.950 -6.022 -2.479 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -16.054 -6.278 -3.436 1.00 0.00 N ATOM 0 H HIS A 104 -12.826 -8.690 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 104 -14.082 -7.004 0.388 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.863 -9.536 -1.165 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -15.926 -8.865 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.395 -7.723 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -17.738 -5.288 -2.565 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -15.986 -5.835 -4.352 1.00 0.00 H new ATOM 1693 N LYS A 105 -12.815 -9.836 1.405 1.00 0.00 N ATOM 1694 CA LYS A 105 -12.651 -10.653 2.663 1.00 0.00 C ATOM 1695 C LYS A 105 -11.489 -10.167 3.534 1.00 0.00 C ATOM 1696 O LYS A 105 -11.592 -10.186 4.741 1.00 0.00 O ATOM 1697 CB LYS A 105 -12.480 -12.149 2.287 1.00 0.00 C ATOM 1698 CG LYS A 105 -13.179 -13.069 3.307 1.00 0.00 C ATOM 1699 CD LYS A 105 -13.162 -14.514 2.802 1.00 0.00 C ATOM 1700 CE LYS A 105 -11.738 -15.058 2.882 1.00 0.00 C ATOM 1701 NZ LYS A 105 -11.775 -16.545 2.794 1.00 0.00 N ATOM 0 H LYS A 105 -12.205 -10.097 0.630 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.552 -10.528 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.892 -12.325 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.419 -12.395 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.676 -13.006 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.207 -12.741 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.833 -15.129 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.523 -14.557 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.134 -14.649 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.270 -14.749 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.807 -16.920 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.338 -16.925 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.206 -16.829 1.891 1.00 0.00 H new ATOM 1715 N ALA A 106 -10.378 -9.777 2.960 1.00 0.00 N ATOM 1716 CA ALA A 106 -9.226 -9.325 3.870 1.00 0.00 C ATOM 1717 C ALA A 106 -9.471 -7.910 4.397 1.00 0.00 C ATOM 1718 O ALA A 106 -8.716 -7.382 5.188 1.00 0.00 O ATOM 1719 CB ALA A 106 -7.876 -9.310 3.130 1.00 0.00 C ATOM 0 H ALA A 106 -10.201 -9.744 1.956 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.189 -10.044 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.091 -8.984 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.649 -10.312 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.931 -8.623 2.286 1.00 0.00 H new ATOM 1725 N ASN A 107 -10.487 -7.299 3.925 1.00 0.00 N ATOM 1726 CA ASN A 107 -10.808 -5.903 4.332 1.00 0.00 C ATOM 1727 C ASN A 107 -10.674 -5.711 5.854 1.00 0.00 C ATOM 1728 O ASN A 107 -10.346 -4.633 6.307 1.00 0.00 O ATOM 1729 CB ASN A 107 -12.245 -5.577 3.903 1.00 0.00 C ATOM 1730 CG ASN A 107 -12.517 -4.078 4.100 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -11.604 -3.275 4.060 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -13.734 -3.665 4.320 1.00 0.00 N ATOM 0 H ASN A 107 -11.138 -7.706 3.253 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.100 -5.232 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.393 -5.849 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -12.952 -6.165 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.918 -2.671 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.502 -4.336 4.354 1.00 0.00 H new ATOM 1739 N THR A 108 -10.903 -6.727 6.658 1.00 0.00 N ATOM 1740 CA THR A 108 -10.741 -6.532 8.138 1.00 0.00 C ATOM 1741 C THR A 108 -9.257 -6.283 8.471 1.00 0.00 C ATOM 1742 O THR A 108 -8.780 -5.168 8.391 1.00 0.00 O ATOM 1743 CB THR A 108 -11.219 -7.790 8.860 1.00 0.00 C ATOM 1744 OG1 THR A 108 -12.571 -8.051 8.511 1.00 0.00 O ATOM 1745 CG2 THR A 108 -11.108 -7.584 10.373 1.00 0.00 C ATOM 0 H THR A 108 -11.188 -7.661 6.363 1.00 0.00 H new ATOM 0 HA THR A 108 -11.329 -5.673 8.460 1.00 0.00 H new ATOM 0 HB THR A 108 -10.600 -8.637 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.878 -8.859 8.973 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.449 -8.482 10.888 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.069 -7.386 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.726 -6.737 10.671 1.00 0.00 H new ATOM 1753 N GLU A 109 -8.513 -7.306 8.823 1.00 0.00 N ATOM 1754 CA GLU A 109 -7.097 -7.128 9.135 1.00 0.00 C ATOM 1755 C GLU A 109 -6.330 -8.380 8.683 1.00 0.00 C ATOM 1756 O GLU A 109 -5.859 -9.155 9.491 1.00 0.00 O ATOM 1757 CB GLU A 109 -7.007 -6.975 10.656 1.00 0.00 C ATOM 1758 CG GLU A 109 -7.527 -5.589 11.083 1.00 0.00 C ATOM 1759 CD GLU A 109 -7.435 -5.423 12.605 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -6.957 -6.334 13.255 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -7.831 -4.375 13.092 1.00 0.00 O ATOM 0 H GLU A 109 -8.852 -8.265 8.903 1.00 0.00 H new ATOM 0 HA GLU A 109 -6.671 -6.260 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.591 -7.756 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.974 -7.100 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.946 -4.809 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.561 -5.467 10.760 1.00 0.00 H new ATOM 1768 N SER A 110 -6.191 -8.587 7.401 1.00 0.00 N ATOM 1769 CA SER A 110 -5.447 -9.794 6.938 1.00 0.00 C ATOM 1770 C SER A 110 -4.500 -9.356 5.824 1.00 0.00 C ATOM 1771 O SER A 110 -4.925 -9.038 4.741 1.00 0.00 O ATOM 1772 CB SER A 110 -6.436 -10.828 6.391 1.00 0.00 C ATOM 1773 OG SER A 110 -7.211 -11.347 7.462 1.00 0.00 O ATOM 0 H SER A 110 -6.554 -7.983 6.664 1.00 0.00 H new ATOM 0 HA SER A 110 -4.891 -10.241 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.086 -10.369 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.898 -11.634 5.892 1.00 0.00 H new ATOM 0 HG SER A 110 -7.846 -12.008 7.116 1.00 0.00 H new ATOM 1779 N GLN A 111 -3.223 -9.305 6.108 1.00 0.00 N ATOM 1780 CA GLN A 111 -2.219 -8.858 5.084 1.00 0.00 C ATOM 1781 C GLN A 111 -1.176 -9.957 4.909 1.00 0.00 C ATOM 1782 O GLN A 111 -0.217 -9.957 5.635 1.00 0.00 O ATOM 1783 CB GLN A 111 -1.508 -7.619 5.627 1.00 0.00 C ATOM 1784 CG GLN A 111 -1.357 -7.699 7.156 1.00 0.00 C ATOM 1785 CD GLN A 111 -0.514 -6.534 7.679 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -0.690 -5.407 7.259 1.00 0.00 O ATOM 1787 NE2 GLN A 111 0.394 -6.754 8.584 1.00 0.00 N ATOM 0 H GLN A 111 -2.826 -9.556 7.013 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.713 -8.645 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.525 -7.527 5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.071 -6.725 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -2.341 -7.681 7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.890 -8.645 7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 111 0.543 -7.699 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.957 -5.981 8.940 1.00 0.00 H new ATOM 1796 N SER A 112 -1.299 -10.874 3.946 1.00 0.00 N ATOM 1797 CA SER A 112 -0.216 -11.919 3.831 1.00 0.00 C ATOM 1798 C SER A 112 -0.088 -12.355 2.359 1.00 0.00 C ATOM 1799 O SER A 112 -0.996 -12.864 1.735 1.00 0.00 O ATOM 1800 CB SER A 112 -0.624 -13.120 4.697 1.00 0.00 C ATOM 1801 OG SER A 112 -1.090 -12.674 5.958 1.00 0.00 O ATOM 0 H SER A 112 -2.062 -10.938 3.273 1.00 0.00 H new ATOM 0 HA SER A 112 0.742 -11.522 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.403 -13.693 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.227 -13.788 4.830 1.00 0.00 H new ATOM 0 HG SER A 112 -1.349 -13.446 6.503 1.00 0.00 H new ATOM 1807 N LEU A 113 1.096 -12.189 1.857 1.00 0.00 N ATOM 1808 CA LEU A 113 1.501 -12.582 0.476 1.00 0.00 C ATOM 1809 C LEU A 113 3.029 -12.573 0.567 1.00 0.00 C ATOM 1810 O LEU A 113 3.600 -11.500 0.545 1.00 0.00 O ATOM 1811 CB LEU A 113 1.043 -11.504 -0.554 1.00 0.00 C ATOM 1812 CG LEU A 113 1.443 -11.825 -2.005 1.00 0.00 C ATOM 1813 CD1 LEU A 113 1.175 -13.297 -2.329 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.659 -10.932 -2.978 1.00 0.00 C ATOM 0 H LEU A 113 1.857 -11.765 2.387 1.00 0.00 H new ATOM 0 HA LEU A 113 1.073 -13.532 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.041 -11.400 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.470 -10.541 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 113 2.510 -11.631 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.465 -13.501 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.755 -13.929 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.114 -13.510 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.949 -11.167 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.409 -11.109 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.880 -9.885 -2.769 1.00 0.00 H new ATOM 1826 N ILE A 114 3.736 -13.667 0.453 1.00 0.00 N ATOM 1827 CA ILE A 114 5.214 -13.467 0.436 1.00 0.00 C ATOM 1828 C ILE A 114 5.223 -13.163 -1.067 1.00 0.00 C ATOM 1829 O ILE A 114 4.524 -13.832 -1.796 1.00 0.00 O ATOM 1830 CB ILE A 114 5.963 -14.762 0.892 1.00 0.00 C ATOM 1831 CG1 ILE A 114 5.625 -15.081 2.358 1.00 0.00 C ATOM 1832 CG2 ILE A 114 7.469 -14.610 0.762 1.00 0.00 C ATOM 1833 CD1 ILE A 114 6.161 -16.467 2.746 1.00 0.00 C ATOM 0 H ILE A 114 3.389 -14.623 0.376 1.00 0.00 H new ATOM 0 HA ILE A 114 5.698 -12.736 1.084 1.00 0.00 H new ATOM 0 HB ILE A 114 5.633 -15.574 0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.057 -14.322 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.545 -15.049 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.957 -15.529 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.726 -14.412 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.806 -13.780 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.912 -16.675 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.708 -17.224 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.244 -16.487 2.621 1.00 0.00 H new ATOM 1845 N LEU A 115 5.777 -12.047 -1.530 1.00 0.00 N ATOM 1846 CA LEU A 115 5.609 -11.751 -3.018 1.00 0.00 C ATOM 1847 C LEU A 115 6.762 -12.069 -3.956 1.00 0.00 C ATOM 1848 O LEU A 115 7.924 -12.235 -3.586 1.00 0.00 O ATOM 1849 CB LEU A 115 5.437 -10.232 -3.125 1.00 0.00 C ATOM 1850 CG LEU A 115 4.177 -9.716 -2.331 1.00 0.00 C ATOM 1851 CD1 LEU A 115 3.302 -8.567 -1.758 1.00 0.00 C ATOM 1852 CD2 LEU A 115 5.031 -9.134 -3.473 1.00 0.00 C ATOM 0 H LEU A 115 6.306 -11.365 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 115 4.785 -12.392 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.331 -9.739 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.342 -9.952 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 115 3.570 -10.322 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.442 -8.989 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.893 -7.973 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.956 -7.932 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.641 -8.157 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.063 -9.030 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.994 -9.803 -4.332 1.00 0.00 H new ATOM 1864 N GLN A 116 6.420 -11.950 -5.187 1.00 0.00 N ATOM 1865 CA GLN A 116 7.375 -12.124 -6.264 1.00 0.00 C ATOM 1866 C GLN A 116 8.281 -10.931 -6.094 1.00 0.00 C ATOM 1867 O GLN A 116 7.719 -9.907 -5.861 1.00 0.00 O ATOM 1868 CB GLN A 116 6.636 -11.886 -7.580 1.00 0.00 C ATOM 1869 CG GLN A 116 7.613 -11.915 -8.760 1.00 0.00 C ATOM 1870 CD GLN A 116 6.841 -11.804 -10.078 1.00 0.00 C ATOM 1871 OE1 GLN A 116 5.965 -12.598 -10.349 1.00 0.00 O ATOM 1872 NE2 GLN A 116 7.128 -10.841 -10.908 1.00 0.00 N ATOM 0 H GLN A 116 5.473 -11.729 -5.496 1.00 0.00 H new ATOM 0 HA GLN A 116 7.868 -13.096 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.870 -12.649 -7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.125 -10.924 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.324 -11.094 -8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.190 -12.840 -8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.865 -10.174 -10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.616 -10.755 -11.786 1.00 0.00 H new ATOM 1881 N ALA A 117 9.583 -10.990 -6.200 1.00 0.00 N ATOM 1882 CA ALA A 117 10.382 -9.717 -6.053 1.00 0.00 C ATOM 1883 C ALA A 117 10.290 -8.850 -7.338 1.00 0.00 C ATOM 1884 O ALA A 117 10.224 -9.385 -8.427 1.00 0.00 O ATOM 1885 CB ALA A 117 11.855 -10.040 -5.804 1.00 0.00 C ATOM 0 H ALA A 117 10.124 -11.836 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 117 9.966 -9.167 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.418 -9.113 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.949 -10.626 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.249 -10.612 -6.644 1.00 0.00 H new ATOM 1891 N ASN A 118 10.255 -7.535 -7.233 1.00 0.00 N ATOM 1892 CA ASN A 118 10.140 -6.675 -8.448 1.00 0.00 C ATOM 1893 C ASN A 118 11.422 -6.801 -9.264 1.00 0.00 C ATOM 1894 O ASN A 118 12.476 -7.128 -8.757 1.00 0.00 O ATOM 1895 CB ASN A 118 9.963 -5.192 -8.069 1.00 0.00 C ATOM 1896 CG ASN A 118 10.297 -4.931 -6.594 1.00 0.00 C ATOM 1897 OD1 ASN A 118 11.424 -4.628 -6.257 1.00 0.00 O ATOM 1898 ND2 ASN A 118 9.349 -5.040 -5.689 1.00 0.00 N ATOM 0 H ASN A 118 10.302 -7.026 -6.350 1.00 0.00 H new ATOM 0 HA ASN A 118 9.270 -7.004 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 118 10.605 -4.578 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 118 8.935 -4.887 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 118 9.561 -4.870 -4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.402 -5.294 -5.970 1.00 0.00 H new ATOM 1905 N GLU A 119 11.332 -6.554 -10.527 1.00 0.00 N ATOM 1906 CA GLU A 119 12.527 -6.671 -11.398 1.00 0.00 C ATOM 1907 C GLU A 119 13.556 -5.557 -11.113 1.00 0.00 C ATOM 1908 O GLU A 119 14.741 -5.824 -11.087 1.00 0.00 O ATOM 1909 CB GLU A 119 12.080 -6.614 -12.859 1.00 0.00 C ATOM 1910 CG GLU A 119 11.183 -5.386 -13.098 1.00 0.00 C ATOM 1911 CD GLU A 119 10.732 -5.345 -14.563 1.00 0.00 C ATOM 1912 OE1 GLU A 119 11.233 -6.139 -15.339 1.00 0.00 O ATOM 1913 OE2 GLU A 119 9.893 -4.516 -14.879 1.00 0.00 O ATOM 0 H GLU A 119 10.475 -6.273 -11.004 1.00 0.00 H new ATOM 0 HA GLU A 119 13.016 -7.622 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.952 -6.568 -13.511 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.538 -7.524 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.313 -5.427 -12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.727 -4.474 -12.850 1.00 0.00 H new ATOM 1920 N GLU A 120 13.157 -4.315 -10.933 1.00 0.00 N ATOM 1921 CA GLU A 120 14.211 -3.263 -10.696 1.00 0.00 C ATOM 1922 C GLU A 120 14.526 -3.202 -9.207 1.00 0.00 C ATOM 1923 O GLU A 120 14.079 -2.312 -8.514 1.00 0.00 O ATOM 1924 CB GLU A 120 13.724 -1.857 -11.179 1.00 0.00 C ATOM 1925 CG GLU A 120 13.584 -1.757 -12.738 1.00 0.00 C ATOM 1926 CD GLU A 120 13.071 -0.396 -13.130 1.00 0.00 C ATOM 1927 OE1 GLU A 120 12.957 0.412 -12.247 1.00 0.00 O ATOM 1928 OE2 GLU A 120 12.794 -0.185 -14.300 1.00 0.00 O ATOM 0 H GLU A 120 12.190 -3.991 -10.938 1.00 0.00 H new ATOM 0 HA GLU A 120 15.102 -3.531 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.761 -1.635 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 120 14.426 -1.098 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.550 -1.939 -13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.903 -2.528 -13.099 1.00 0.00 H new ATOM 1935 N LEU A 121 15.303 -4.124 -8.690 1.00 0.00 N ATOM 1936 CA LEU A 121 15.612 -4.057 -7.209 1.00 0.00 C ATOM 1937 C LEU A 121 16.647 -2.967 -6.878 1.00 0.00 C ATOM 1938 O LEU A 121 16.610 -2.377 -5.815 1.00 0.00 O ATOM 1939 CB LEU A 121 16.089 -5.452 -6.728 1.00 0.00 C ATOM 1940 CG LEU A 121 15.074 -6.549 -7.122 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.487 -7.885 -6.508 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.685 -6.165 -6.607 1.00 0.00 C ATOM 0 H LEU A 121 15.728 -4.898 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 121 14.701 -3.781 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.062 -5.678 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.219 -5.443 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 121 15.053 -6.643 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.767 -8.653 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.476 -8.163 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.513 -7.794 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.968 -6.938 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.713 -6.068 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.383 -5.215 -7.048 1.00 0.00 H new