USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 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 42 MET CE :methyl -135:sc= -0.277 (180deg=-0.0298) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.158 X(o=-0.44,f=-0.00094) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot 99:sc= -1.87! USER MOD Set 3.2: A 13 GLN : amide:sc= 0.21 X(o=-1.7,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0238 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -4.35! C(o=-4.3!,f=-6.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -10.1! C(o=-10!,f=-9.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.21) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -128:sc= 0.936 USER MOD Single : A 35 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.0084) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 31:sc= -1.92! USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -0.881 (180deg=-2.34!) USER MOD Single : A 45 THR OG1 : rot -122:sc= 0.271 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.23) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 25:sc= -7.55! USER MOD Single : A 61 TYR OH : rot 180:sc= -0.618 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= -8.3! (180deg=-13.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 129:sc= -6.12! USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= 0.0567 (180deg=-0.339) USER MOD Single : A 88 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.126 7.373 -9.097 1.00 0.00 N ATOM 2 CA GLY A 1 -11.106 6.740 -8.213 1.00 0.00 C ATOM 3 C GLY A 1 -10.159 7.815 -7.676 1.00 0.00 C ATOM 4 O GLY A 1 -9.820 8.758 -8.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.322 6.748 -9.904 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.003 7.529 -8.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.766 8.285 -9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.595 6.225 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.544 5.989 -8.768 1.00 0.00 H new ATOM 10 N GLU A 2 -9.728 7.681 -6.452 1.00 0.00 N ATOM 11 CA GLU A 2 -8.801 8.698 -5.873 1.00 0.00 C ATOM 12 C GLU A 2 -7.407 8.094 -5.677 1.00 0.00 C ATOM 13 O GLU A 2 -7.262 6.922 -5.398 1.00 0.00 O ATOM 14 CB GLU A 2 -9.418 9.073 -4.525 1.00 0.00 C ATOM 15 CG GLU A 2 -10.756 9.780 -4.754 1.00 0.00 C ATOM 16 CD GLU A 2 -10.503 11.217 -5.213 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.465 11.755 -4.865 1.00 0.00 O ATOM 18 OE2 GLU A 2 -11.351 11.755 -5.905 1.00 0.00 O ATOM 0 H GLU A 2 -9.976 6.914 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.682 9.565 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.566 8.179 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.741 9.724 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.338 9.245 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.342 9.779 -3.835 1.00 0.00 H new ATOM 25 N TRP A 3 -6.381 8.889 -5.822 1.00 0.00 N ATOM 26 CA TRP A 3 -4.998 8.361 -5.645 1.00 0.00 C ATOM 27 C TRP A 3 -4.152 9.352 -4.839 1.00 0.00 C ATOM 28 O TRP A 3 -4.481 10.516 -4.731 1.00 0.00 O ATOM 29 CB TRP A 3 -4.445 8.212 -7.062 1.00 0.00 C ATOM 30 CG TRP A 3 -4.575 9.513 -7.787 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.632 9.875 -8.549 1.00 0.00 C ATOM 32 CD2 TRP A 3 -3.637 10.626 -7.834 1.00 0.00 C ATOM 33 NE1 TRP A 3 -5.403 11.140 -9.059 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.186 11.646 -8.647 1.00 0.00 C ATOM 35 CE3 TRP A 3 -2.374 10.849 -7.254 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -3.508 12.843 -8.878 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -1.688 12.054 -7.484 1.00 0.00 C ATOM 38 CH2 TRP A 3 -2.254 13.048 -8.294 1.00 0.00 C ATOM 0 H TRP A 3 -6.441 9.880 -6.055 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.984 7.416 -5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.399 7.907 -7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.987 7.431 -7.595 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.511 9.274 -8.730 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -6.054 11.639 -9.666 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.929 10.089 -6.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -3.948 13.606 -9.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.719 12.215 -7.034 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.722 13.972 -8.467 1.00 0.00 H new ATOM 49 N GLU A 4 -3.066 8.900 -4.276 1.00 0.00 N ATOM 50 CA GLU A 4 -2.202 9.820 -3.479 1.00 0.00 C ATOM 51 C GLU A 4 -0.902 9.116 -3.078 1.00 0.00 C ATOM 52 O GLU A 4 -0.733 7.932 -3.294 1.00 0.00 O ATOM 53 CB GLU A 4 -3.028 10.171 -2.240 1.00 0.00 C ATOM 54 CG GLU A 4 -3.683 8.905 -1.683 1.00 0.00 C ATOM 55 CD GLU A 4 -5.104 8.780 -2.238 1.00 0.00 C ATOM 56 OE1 GLU A 4 -5.927 9.613 -1.897 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.345 7.852 -2.992 1.00 0.00 O ATOM 0 H GLU A 4 -2.739 7.936 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.919 10.708 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.390 10.626 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.792 10.905 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.096 8.028 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.708 8.945 -0.594 1.00 0.00 H new ATOM 64 N ILE A 5 0.017 9.836 -2.496 1.00 0.00 N ATOM 65 CA ILE A 5 1.309 9.211 -2.081 1.00 0.00 C ATOM 66 C ILE A 5 1.472 9.300 -0.562 1.00 0.00 C ATOM 67 O ILE A 5 0.683 9.915 0.128 1.00 0.00 O ATOM 68 CB ILE A 5 2.412 10.005 -2.814 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.717 9.995 -2.008 1.00 0.00 C ATOM 70 CG2 ILE A 5 1.979 11.459 -3.030 1.00 0.00 C ATOM 71 CD1 ILE A 5 4.738 10.914 -2.681 1.00 0.00 C ATOM 0 H ILE A 5 -0.069 10.831 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 5 1.356 8.153 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 5 2.576 9.524 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.529 10.328 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.111 8.980 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.770 12.001 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.070 11.482 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.789 11.929 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.666 10.908 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.933 10.561 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.343 11.929 -2.721 1.00 0.00 H new ATOM 83 N ILE A 6 2.497 8.687 -0.043 1.00 0.00 N ATOM 84 CA ILE A 6 2.726 8.731 1.436 1.00 0.00 C ATOM 85 C ILE A 6 3.988 9.547 1.740 1.00 0.00 C ATOM 86 O ILE A 6 4.364 10.420 0.982 1.00 0.00 O ATOM 87 CB ILE A 6 2.889 7.275 1.918 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.693 6.273 0.769 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.841 6.993 2.994 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.251 6.349 0.269 1.00 0.00 C ATOM 0 H ILE A 6 3.188 8.157 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 6 1.890 9.206 1.950 1.00 0.00 H new ATOM 0 HB ILE A 6 3.899 7.157 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.384 6.496 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.918 5.263 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.946 5.966 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.985 7.677 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.844 7.135 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.111 5.639 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.570 6.105 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.043 7.357 -0.089 1.00 0.00 H new ATOM 102 N ASP A 7 4.644 9.286 2.841 1.00 0.00 N ATOM 103 CA ASP A 7 5.870 10.075 3.167 1.00 0.00 C ATOM 104 C ASP A 7 6.958 9.190 3.783 1.00 0.00 C ATOM 105 O ASP A 7 7.546 9.529 4.790 1.00 0.00 O ATOM 106 CB ASP A 7 5.405 11.131 4.172 1.00 0.00 C ATOM 107 CG ASP A 7 5.441 12.511 3.515 1.00 0.00 C ATOM 108 OD1 ASP A 7 5.435 12.567 2.297 1.00 0.00 O ATOM 109 OD2 ASP A 7 5.473 13.490 4.243 1.00 0.00 O ATOM 0 H ASP A 7 4.388 8.570 3.521 1.00 0.00 H new ATOM 0 HA ASP A 7 6.310 10.517 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.394 10.905 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.048 11.119 5.052 1.00 0.00 H new ATOM 114 N ILE A 8 7.229 8.067 3.177 1.00 0.00 N ATOM 115 CA ILE A 8 8.286 7.153 3.706 1.00 0.00 C ATOM 116 C ILE A 8 8.214 7.103 5.227 1.00 0.00 C ATOM 117 O ILE A 8 9.213 7.035 5.916 1.00 0.00 O ATOM 118 CB ILE A 8 9.610 7.751 3.232 1.00 0.00 C ATOM 119 CG1 ILE A 8 9.922 9.027 4.019 1.00 0.00 C ATOM 120 CG2 ILE A 8 9.503 8.089 1.746 1.00 0.00 C ATOM 121 CD1 ILE A 8 11.394 9.396 3.824 1.00 0.00 C ATOM 0 H ILE A 8 6.761 7.739 2.332 1.00 0.00 H new ATOM 0 HA ILE A 8 8.168 6.128 3.353 1.00 0.00 H new ATOM 0 HB ILE A 8 10.409 7.028 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.283 9.842 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.711 8.876 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.445 8.516 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.288 7.182 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.700 8.810 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.619 10.304 4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.024 8.583 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.590 9.564 2.765 1.00 0.00 H new ATOM 133 N GLY A 9 7.028 7.140 5.746 1.00 0.00 N ATOM 134 CA GLY A 9 6.854 7.101 7.226 1.00 0.00 C ATOM 135 C GLY A 9 5.781 6.078 7.626 1.00 0.00 C ATOM 136 O GLY A 9 6.052 5.158 8.376 1.00 0.00 O ATOM 0 H GLY A 9 6.162 7.196 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.801 6.845 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.573 8.090 7.589 1.00 0.00 H new ATOM 140 N PRO A 10 4.589 6.280 7.131 1.00 0.00 N ATOM 141 CA PRO A 10 3.467 5.384 7.469 1.00 0.00 C ATOM 142 C PRO A 10 3.439 4.169 6.541 1.00 0.00 C ATOM 143 O PRO A 10 3.657 3.053 6.969 1.00 0.00 O ATOM 144 CB PRO A 10 2.241 6.269 7.265 1.00 0.00 C ATOM 145 CG PRO A 10 2.662 7.331 6.289 1.00 0.00 C ATOM 146 CD PRO A 10 4.173 7.337 6.213 1.00 0.00 C ATOM 0 HA PRO A 10 3.531 4.975 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.402 5.692 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.916 6.710 8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.234 7.134 5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.294 8.306 6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.520 7.141 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.582 8.303 6.509 1.00 0.00 H new ATOM 154 N PHE A 11 3.178 4.365 5.279 1.00 0.00 N ATOM 155 CA PHE A 11 3.148 3.197 4.358 1.00 0.00 C ATOM 156 C PHE A 11 4.388 2.337 4.599 1.00 0.00 C ATOM 157 O PHE A 11 4.349 1.127 4.492 1.00 0.00 O ATOM 158 CB PHE A 11 3.125 3.782 2.948 1.00 0.00 C ATOM 159 CG PHE A 11 1.716 3.675 2.418 1.00 0.00 C ATOM 160 CD1 PHE A 11 0.637 3.976 3.257 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.485 3.261 1.101 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.674 3.862 2.781 1.00 0.00 C ATOM 163 CE2 PHE A 11 0.172 3.150 0.625 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.906 3.449 1.466 1.00 0.00 C ATOM 0 H PHE A 11 2.987 5.271 4.850 1.00 0.00 H new ATOM 0 HA PHE A 11 2.281 2.554 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.448 4.823 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.817 3.243 2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.816 4.297 4.273 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.317 3.028 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.506 4.093 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.008 2.833 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.918 3.361 1.099 1.00 0.00 H new ATOM 174 N THR A 12 5.481 2.951 4.963 1.00 0.00 N ATOM 175 CA THR A 12 6.708 2.179 5.257 1.00 0.00 C ATOM 176 C THR A 12 6.411 1.220 6.398 1.00 0.00 C ATOM 177 O THR A 12 6.551 0.018 6.279 1.00 0.00 O ATOM 178 CB THR A 12 7.708 3.235 5.709 1.00 0.00 C ATOM 179 OG1 THR A 12 7.350 3.702 7.003 1.00 0.00 O ATOM 180 CG2 THR A 12 7.696 4.400 4.724 1.00 0.00 C ATOM 0 H THR A 12 5.571 3.962 5.068 1.00 0.00 H new ATOM 0 HA THR A 12 7.075 1.597 4.412 1.00 0.00 H new ATOM 0 HB THR A 12 8.707 2.800 5.744 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.892 3.243 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.411 5.157 5.047 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.970 4.041 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.698 4.836 4.689 1.00 0.00 H new ATOM 188 N GLN A 13 5.984 1.755 7.505 1.00 0.00 N ATOM 189 CA GLN A 13 5.653 0.887 8.670 1.00 0.00 C ATOM 190 C GLN A 13 4.508 -0.053 8.298 1.00 0.00 C ATOM 191 O GLN A 13 4.364 -1.133 8.841 1.00 0.00 O ATOM 192 CB GLN A 13 5.228 1.849 9.780 1.00 0.00 C ATOM 193 CG GLN A 13 6.234 1.779 10.929 1.00 0.00 C ATOM 194 CD GLN A 13 7.253 2.910 10.786 1.00 0.00 C ATOM 195 OE1 GLN A 13 7.973 2.975 9.809 1.00 0.00 O ATOM 196 NE2 GLN A 13 7.346 3.811 11.726 1.00 0.00 N ATOM 0 H GLN A 13 5.849 2.755 7.655 1.00 0.00 H new ATOM 0 HA GLN A 13 6.492 0.266 8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.173 2.866 9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.232 1.590 10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.716 1.861 11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.742 0.815 10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.742 3.757 12.546 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.023 4.569 11.640 1.00 0.00 H new ATOM 205 N ASN A 14 3.702 0.353 7.364 1.00 0.00 N ATOM 206 CA ASN A 14 2.562 -0.502 6.928 1.00 0.00 C ATOM 207 C ASN A 14 3.070 -1.622 6.031 1.00 0.00 C ATOM 208 O ASN A 14 2.768 -2.781 6.231 1.00 0.00 O ATOM 209 CB ASN A 14 1.631 0.432 6.159 1.00 0.00 C ATOM 210 CG ASN A 14 0.507 0.908 7.081 1.00 0.00 C ATOM 211 OD1 ASN A 14 -0.566 1.248 6.626 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.710 0.946 8.370 1.00 0.00 N ATOM 0 H ASN A 14 3.782 1.246 6.878 1.00 0.00 H new ATOM 0 HA ASN A 14 2.050 -0.973 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.190 1.287 5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.213 -0.085 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.033 1.261 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.611 0.660 8.753 1.00 0.00 H new ATOM 219 N LEU A 15 3.845 -1.278 5.051 1.00 0.00 N ATOM 220 CA LEU A 15 4.394 -2.317 4.137 1.00 0.00 C ATOM 221 C LEU A 15 4.860 -3.519 4.957 1.00 0.00 C ATOM 222 O LEU A 15 4.328 -4.602 4.843 1.00 0.00 O ATOM 223 CB LEU A 15 5.577 -1.644 3.437 1.00 0.00 C ATOM 224 CG LEU A 15 6.309 -2.656 2.547 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.197 -3.552 3.413 1.00 0.00 C ATOM 226 CD2 LEU A 15 5.292 -3.521 1.796 1.00 0.00 C ATOM 0 H LEU A 15 4.126 -0.321 4.839 1.00 0.00 H new ATOM 0 HA LEU A 15 3.659 -2.681 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.225 -0.807 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.264 -1.236 4.178 1.00 0.00 H new ATOM 0 HG LEU A 15 6.925 -2.118 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.717 -4.271 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.927 -2.939 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.580 -4.085 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.819 -4.238 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.670 -4.057 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.662 -2.885 1.174 1.00 0.00 H new ATOM 238 N GLY A 16 5.841 -3.331 5.795 1.00 0.00 N ATOM 239 CA GLY A 16 6.327 -4.465 6.629 1.00 0.00 C ATOM 240 C GLY A 16 5.131 -5.150 7.291 1.00 0.00 C ATOM 241 O GLY A 16 5.056 -6.361 7.361 1.00 0.00 O ATOM 0 H GLY A 16 6.326 -2.445 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.874 -5.178 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.020 -4.103 7.388 1.00 0.00 H new ATOM 245 N LYS A 17 4.191 -4.384 7.777 1.00 0.00 N ATOM 246 CA LYS A 17 2.999 -4.986 8.433 1.00 0.00 C ATOM 247 C LYS A 17 2.124 -5.702 7.405 1.00 0.00 C ATOM 248 O LYS A 17 2.005 -6.911 7.403 1.00 0.00 O ATOM 249 CB LYS A 17 2.258 -3.799 9.044 1.00 0.00 C ATOM 250 CG LYS A 17 1.194 -4.309 10.010 1.00 0.00 C ATOM 251 CD LYS A 17 1.870 -4.994 11.199 1.00 0.00 C ATOM 252 CE LYS A 17 0.810 -5.410 12.221 1.00 0.00 C ATOM 253 NZ LYS A 17 0.650 -6.879 12.032 1.00 0.00 N ATOM 0 H LYS A 17 4.199 -3.364 7.747 1.00 0.00 H new ATOM 0 HA LYS A 17 3.268 -5.733 9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.959 -3.149 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.795 -3.201 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.576 -3.481 10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.532 -5.010 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.426 -5.868 10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.589 -4.318 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.127 -5.175 13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.130 -4.885 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.062 -7.239 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.341 -7.072 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.559 -7.353 12.207 1.00 0.00 H new ATOM 267 N PHE A 18 1.511 -4.958 6.541 1.00 0.00 N ATOM 268 CA PHE A 18 0.630 -5.576 5.505 1.00 0.00 C ATOM 269 C PHE A 18 1.395 -6.630 4.713 1.00 0.00 C ATOM 270 O PHE A 18 0.857 -7.650 4.330 1.00 0.00 O ATOM 271 CB PHE A 18 0.207 -4.421 4.594 1.00 0.00 C ATOM 272 CG PHE A 18 -0.524 -3.369 5.398 1.00 0.00 C ATOM 273 CD1 PHE A 18 -1.081 -3.690 6.644 1.00 0.00 C ATOM 274 CD2 PHE A 18 -0.648 -2.069 4.894 1.00 0.00 C ATOM 275 CE1 PHE A 18 -1.758 -2.712 7.382 1.00 0.00 C ATOM 276 CE2 PHE A 18 -1.325 -1.091 5.632 1.00 0.00 C ATOM 277 CZ PHE A 18 -1.881 -1.413 6.876 1.00 0.00 C ATOM 0 H PHE A 18 1.577 -3.941 6.501 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.229 -6.079 5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.084 -3.982 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.436 -4.793 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.988 -4.693 7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.221 -1.820 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.186 -2.960 8.342 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.418 -0.088 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.405 -0.659 7.445 1.00 0.00 H new ATOM 287 N ALA A 19 2.644 -6.392 4.469 1.00 0.00 N ATOM 288 CA ALA A 19 3.454 -7.380 3.703 1.00 0.00 C ATOM 289 C ALA A 19 3.449 -8.727 4.427 1.00 0.00 C ATOM 290 O ALA A 19 2.728 -9.631 4.063 1.00 0.00 O ATOM 291 CB ALA A 19 4.867 -6.800 3.661 1.00 0.00 C ATOM 0 H ALA A 19 3.146 -5.555 4.765 1.00 0.00 H new ATOM 0 HA ALA A 19 3.060 -7.549 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.522 -7.476 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.847 -5.830 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.241 -6.680 4.678 1.00 0.00 H new ATOM 297 N VAL A 20 4.247 -8.862 5.452 1.00 0.00 N ATOM 298 CA VAL A 20 4.294 -10.150 6.207 1.00 0.00 C ATOM 299 C VAL A 20 2.894 -10.761 6.335 1.00 0.00 C ATOM 300 O VAL A 20 2.743 -11.959 6.450 1.00 0.00 O ATOM 301 CB VAL A 20 4.854 -9.781 7.581 1.00 0.00 C ATOM 302 CG1 VAL A 20 3.806 -8.992 8.368 1.00 0.00 C ATOM 303 CG2 VAL A 20 5.212 -11.057 8.345 1.00 0.00 C ATOM 0 H VAL A 20 4.871 -8.134 5.801 1.00 0.00 H new ATOM 0 HA VAL A 20 4.907 -10.897 5.702 1.00 0.00 H new ATOM 0 HB VAL A 20 5.747 -9.169 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.207 -8.730 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.552 -8.082 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.911 -9.601 8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.611 -10.795 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.319 -11.669 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.961 -11.618 7.786 1.00 0.00 H new ATOM 313 N ASP A 21 1.866 -9.955 6.312 1.00 0.00 N ATOM 314 CA ASP A 21 0.489 -10.517 6.428 1.00 0.00 C ATOM 315 C ASP A 21 -0.036 -10.907 5.050 1.00 0.00 C ATOM 316 O ASP A 21 -0.086 -12.069 4.714 1.00 0.00 O ATOM 317 CB ASP A 21 -0.357 -9.398 7.038 1.00 0.00 C ATOM 318 CG ASP A 21 -0.933 -9.864 8.375 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.982 -11.064 8.591 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.317 -9.014 9.161 1.00 0.00 O ATOM 0 H ASP A 21 1.919 -8.941 6.219 1.00 0.00 H new ATOM 0 HA ASP A 21 0.462 -11.417 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.252 -8.506 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.164 -9.126 6.358 1.00 0.00 H new ATOM 325 N GLU A 22 -0.428 -9.963 4.243 1.00 0.00 N ATOM 326 CA GLU A 22 -0.937 -10.346 2.898 1.00 0.00 C ATOM 327 C GLU A 22 0.155 -11.097 2.139 1.00 0.00 C ATOM 328 O GLU A 22 -0.108 -12.049 1.443 1.00 0.00 O ATOM 329 CB GLU A 22 -1.324 -9.035 2.204 1.00 0.00 C ATOM 330 CG GLU A 22 -2.513 -8.408 2.935 1.00 0.00 C ATOM 331 CD GLU A 22 -3.790 -8.639 2.126 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.883 -9.672 1.483 1.00 0.00 O ATOM 333 OE2 GLU A 22 -4.655 -7.778 2.161 1.00 0.00 O ATOM 0 H GLU A 22 -0.419 -8.964 4.449 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.799 -11.011 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.479 -8.347 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.582 -9.224 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.615 -8.846 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.346 -7.340 3.073 1.00 0.00 H new ATOM 340 N GLU A 23 1.382 -10.704 2.300 1.00 0.00 N ATOM 341 CA GLU A 23 2.489 -11.428 1.609 1.00 0.00 C ATOM 342 C GLU A 23 2.540 -12.866 2.112 1.00 0.00 C ATOM 343 O GLU A 23 2.560 -13.801 1.341 1.00 0.00 O ATOM 344 CB GLU A 23 3.772 -10.678 1.975 1.00 0.00 C ATOM 345 CG GLU A 23 4.916 -11.152 1.076 1.00 0.00 C ATOM 346 CD GLU A 23 6.203 -11.249 1.898 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.132 -11.056 3.100 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.238 -11.517 1.310 1.00 0.00 O ATOM 0 H GLU A 23 1.671 -9.915 2.878 1.00 0.00 H new ATOM 0 HA GLU A 23 2.353 -11.461 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.624 -9.604 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.022 -10.853 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.674 -12.123 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.053 -10.458 0.247 1.00 0.00 H new ATOM 355 N ASN A 24 2.534 -13.055 3.397 1.00 0.00 N ATOM 356 CA ASN A 24 2.547 -14.447 3.921 1.00 0.00 C ATOM 357 C ASN A 24 1.188 -15.073 3.628 1.00 0.00 C ATOM 358 O ASN A 24 1.092 -16.187 3.152 1.00 0.00 O ATOM 359 CB ASN A 24 2.788 -14.317 5.425 1.00 0.00 C ATOM 360 CG ASN A 24 3.108 -15.691 6.017 1.00 0.00 C ATOM 361 OD1 ASN A 24 2.415 -16.655 5.756 1.00 0.00 O ATOM 362 ND2 ASN A 24 4.138 -15.823 6.808 1.00 0.00 N ATOM 0 H ASN A 24 2.521 -12.318 4.102 1.00 0.00 H new ATOM 0 HA ASN A 24 3.313 -15.077 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.612 -13.629 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.906 -13.898 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.361 -16.735 7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.720 -15.014 7.027 1.00 0.00 H new ATOM 369 N LYS A 25 0.132 -14.351 3.888 1.00 0.00 N ATOM 370 CA LYS A 25 -1.224 -14.892 3.601 1.00 0.00 C ATOM 371 C LYS A 25 -1.347 -15.239 2.115 1.00 0.00 C ATOM 372 O LYS A 25 -1.943 -16.231 1.745 1.00 0.00 O ATOM 373 CB LYS A 25 -2.192 -13.771 3.980 1.00 0.00 C ATOM 374 CG LYS A 25 -2.389 -13.756 5.497 1.00 0.00 C ATOM 375 CD LYS A 25 -3.416 -14.820 5.890 1.00 0.00 C ATOM 376 CE LYS A 25 -4.005 -14.479 7.261 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.300 -15.213 7.316 1.00 0.00 N ATOM 0 H LYS A 25 0.151 -13.412 4.286 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.432 -15.806 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.802 -12.810 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.149 -13.919 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.441 -13.948 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.728 -12.772 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.209 -14.869 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.945 -15.802 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.339 -14.792 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.155 -13.405 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.765 -15.029 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.915 -14.890 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.125 -16.233 7.216 1.00 0.00 H new ATOM 391 N ILE A 26 -0.783 -14.430 1.264 1.00 0.00 N ATOM 392 CA ILE A 26 -0.867 -14.718 -0.204 1.00 0.00 C ATOM 393 C ILE A 26 0.018 -15.917 -0.556 1.00 0.00 C ATOM 394 O ILE A 26 -0.099 -16.501 -1.614 1.00 0.00 O ATOM 395 CB ILE A 26 -0.383 -13.444 -0.927 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.974 -13.405 -2.339 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.146 -13.428 -1.031 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.495 -13.561 -2.264 1.00 0.00 C ATOM 0 H ILE A 26 -0.269 -13.585 1.514 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.884 -14.970 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.710 -12.576 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.719 -12.463 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.546 -14.203 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.466 -12.521 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.579 -13.451 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.482 -14.300 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.914 -13.533 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.740 -14.514 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.916 -12.747 -1.673 1.00 0.00 H new ATOM 410 N GLY A 27 0.905 -16.280 0.326 1.00 0.00 N ATOM 411 CA GLY A 27 1.803 -17.435 0.048 1.00 0.00 C ATOM 412 C GLY A 27 3.205 -16.920 -0.281 1.00 0.00 C ATOM 413 O GLY A 27 3.768 -17.234 -1.311 1.00 0.00 O ATOM 0 H GLY A 27 1.048 -15.827 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.840 -18.097 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.414 -18.020 -0.785 1.00 0.00 H new ATOM 417 N GLN A 28 3.771 -16.129 0.588 1.00 0.00 N ATOM 418 CA GLN A 28 5.135 -15.588 0.333 1.00 0.00 C ATOM 419 C GLN A 28 5.660 -14.899 1.595 1.00 0.00 C ATOM 420 O GLN A 28 5.474 -13.714 1.790 1.00 0.00 O ATOM 421 CB GLN A 28 4.957 -14.577 -0.800 1.00 0.00 C ATOM 422 CG GLN A 28 6.309 -14.310 -1.462 1.00 0.00 C ATOM 423 CD GLN A 28 6.696 -15.506 -2.335 1.00 0.00 C ATOM 424 OE1 GLN A 28 5.960 -15.888 -3.222 1.00 0.00 O ATOM 425 NE2 GLN A 28 7.828 -16.118 -2.116 1.00 0.00 N ATOM 0 H GLN A 28 3.346 -15.833 1.467 1.00 0.00 H new ATOM 0 HA GLN A 28 5.851 -16.366 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.249 -14.960 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.541 -13.648 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.257 -13.406 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.071 -14.140 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.446 -15.796 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.095 -16.918 -2.690 1.00 0.00 H new ATOM 434 N TYR A 29 6.307 -15.634 2.453 1.00 0.00 N ATOM 435 CA TYR A 29 6.839 -15.027 3.705 1.00 0.00 C ATOM 436 C TYR A 29 8.190 -15.646 4.055 1.00 0.00 C ATOM 437 O TYR A 29 8.407 -16.090 5.165 1.00 0.00 O ATOM 438 CB TYR A 29 5.807 -15.366 4.779 1.00 0.00 C ATOM 439 CG TYR A 29 5.675 -16.865 4.894 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.890 -17.572 3.974 1.00 0.00 C ATOM 441 CD2 TYR A 29 6.338 -17.550 5.919 1.00 0.00 C ATOM 442 CE1 TYR A 29 4.769 -18.963 4.080 1.00 0.00 C ATOM 443 CE2 TYR A 29 6.216 -18.941 6.026 1.00 0.00 C ATOM 444 CZ TYR A 29 5.432 -19.647 5.106 1.00 0.00 C ATOM 445 OH TYR A 29 5.311 -21.017 5.211 1.00 0.00 O ATOM 0 H TYR A 29 6.491 -16.631 2.342 1.00 0.00 H new ATOM 0 HA TYR A 29 6.993 -13.952 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.110 -14.942 5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.844 -14.924 4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.378 -17.044 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.944 -17.005 6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.164 -19.508 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.727 -19.469 6.818 1.00 0.00 H new ATOM 0 HH TYR A 29 5.835 -21.334 5.976 1.00 0.00 H new ATOM 455 N GLY A 30 9.096 -15.678 3.115 1.00 0.00 N ATOM 456 CA GLY A 30 10.442 -16.268 3.385 1.00 0.00 C ATOM 457 C GLY A 30 10.898 -15.879 4.791 1.00 0.00 C ATOM 458 O GLY A 30 11.628 -16.602 5.440 1.00 0.00 O ATOM 0 H GLY A 30 8.963 -15.320 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.400 -17.353 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.161 -15.913 2.647 1.00 0.00 H new ATOM 462 N ARG A 31 10.467 -14.744 5.272 1.00 0.00 N ATOM 463 CA ARG A 31 10.868 -14.311 6.641 1.00 0.00 C ATOM 464 C ARG A 31 10.357 -12.895 6.913 1.00 0.00 C ATOM 465 O ARG A 31 9.498 -12.683 7.746 1.00 0.00 O ATOM 466 CB ARG A 31 12.397 -14.338 6.638 1.00 0.00 C ATOM 467 CG ARG A 31 12.889 -15.539 7.449 1.00 0.00 C ATOM 468 CD ARG A 31 14.052 -15.108 8.345 1.00 0.00 C ATOM 469 NE ARG A 31 15.276 -15.369 7.538 1.00 0.00 N ATOM 470 CZ ARG A 31 16.333 -14.620 7.693 1.00 0.00 C ATOM 471 NH1 ARG A 31 17.237 -14.942 8.577 1.00 0.00 N ATOM 472 NH2 ARG A 31 16.486 -13.547 6.965 1.00 0.00 N ATOM 0 H ARG A 31 9.854 -14.098 4.775 1.00 0.00 H new ATOM 0 HA ARG A 31 10.454 -14.956 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.768 -14.400 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.788 -13.414 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.077 -15.938 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.209 -16.337 6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.974 -14.055 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.064 -15.675 9.276 1.00 0.00 H new ATOM 0 HE ARG A 31 15.288 -16.134 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.117 -15.779 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.063 -14.356 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.779 -13.294 6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.313 -12.962 7.087 1.00 0.00 H new ATOM 486 N LEU A 32 10.879 -11.925 6.216 1.00 0.00 N ATOM 487 CA LEU A 32 10.422 -10.524 6.431 1.00 0.00 C ATOM 488 C LEU A 32 10.138 -9.852 5.089 1.00 0.00 C ATOM 489 O LEU A 32 10.329 -10.433 4.038 1.00 0.00 O ATOM 490 CB LEU A 32 11.583 -9.829 7.138 1.00 0.00 C ATOM 491 CG LEU A 32 11.969 -10.624 8.385 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.282 -11.365 8.128 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.146 -9.663 9.562 1.00 0.00 C ATOM 0 H LEU A 32 11.603 -12.042 5.507 1.00 0.00 H new ATOM 0 HA LEU A 32 9.503 -10.476 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.437 -9.749 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.299 -8.814 7.414 1.00 0.00 H new ATOM 0 HG LEU A 32 11.185 -11.345 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.559 -11.933 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.157 -12.046 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.067 -10.645 7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.421 -10.226 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.932 -8.944 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.211 -9.133 9.742 1.00 0.00 H new ATOM 505 N THR A 33 9.682 -8.632 5.114 1.00 0.00 N ATOM 506 CA THR A 33 9.386 -7.924 3.837 1.00 0.00 C ATOM 507 C THR A 33 9.685 -6.428 3.980 1.00 0.00 C ATOM 508 O THR A 33 8.852 -5.589 3.701 1.00 0.00 O ATOM 509 CB THR A 33 7.893 -8.158 3.588 1.00 0.00 C ATOM 510 OG1 THR A 33 7.367 -9.011 4.600 1.00 0.00 O ATOM 511 CG2 THR A 33 7.700 -8.810 2.216 1.00 0.00 C ATOM 0 H THR A 33 9.501 -8.094 5.962 1.00 0.00 H new ATOM 0 HA THR A 33 9.995 -8.289 3.010 1.00 0.00 H new ATOM 0 HB THR A 33 7.368 -7.203 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.893 -9.760 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.638 -8.977 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.099 -8.154 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.226 -9.764 2.189 1.00 0.00 H new ATOM 519 N PHE A 34 10.871 -6.092 4.410 1.00 0.00 N ATOM 520 CA PHE A 34 11.232 -4.653 4.570 1.00 0.00 C ATOM 521 C PHE A 34 12.660 -4.524 5.109 1.00 0.00 C ATOM 522 O PHE A 34 12.955 -4.925 6.216 1.00 0.00 O ATOM 523 CB PHE A 34 10.221 -4.093 5.576 1.00 0.00 C ATOM 524 CG PHE A 34 10.111 -5.020 6.764 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.983 -4.875 7.850 1.00 0.00 C ATOM 526 CD2 PHE A 34 9.132 -6.023 6.782 1.00 0.00 C ATOM 527 CE1 PHE A 34 10.878 -5.732 8.951 1.00 0.00 C ATOM 528 CE2 PHE A 34 9.029 -6.880 7.885 1.00 0.00 C ATOM 529 CZ PHE A 34 9.901 -6.734 8.969 1.00 0.00 C ATOM 0 H PHE A 34 11.607 -6.753 4.658 1.00 0.00 H new ATOM 0 HA PHE A 34 11.200 -4.113 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.533 -3.102 5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.247 -3.979 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.737 -4.102 7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.458 -6.135 5.946 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.552 -5.620 9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.276 -7.654 7.899 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.820 -7.394 9.820 1.00 0.00 H new ATOM 539 N ASN A 35 13.553 -3.971 4.332 1.00 0.00 N ATOM 540 CA ASN A 35 14.961 -3.825 4.807 1.00 0.00 C ATOM 541 C ASN A 35 15.626 -2.597 4.173 1.00 0.00 C ATOM 542 O ASN A 35 16.242 -1.797 4.849 1.00 0.00 O ATOM 543 CB ASN A 35 15.662 -5.106 4.354 1.00 0.00 C ATOM 544 CG ASN A 35 17.144 -5.035 4.725 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.540 -5.482 5.783 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.987 -4.486 3.894 1.00 0.00 N ATOM 0 H ASN A 35 13.370 -3.616 3.394 1.00 0.00 H new ATOM 0 HA ASN A 35 15.014 -3.683 5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.199 -5.973 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.551 -5.232 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.977 -4.433 4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.656 -4.110 3.005 1.00 0.00 H new ATOM 553 N LYS A 36 15.522 -2.448 2.879 1.00 0.00 N ATOM 554 CA LYS A 36 16.166 -1.281 2.208 1.00 0.00 C ATOM 555 C LYS A 36 15.465 0.034 2.586 1.00 0.00 C ATOM 556 O LYS A 36 15.704 0.584 3.643 1.00 0.00 O ATOM 557 CB LYS A 36 16.034 -1.563 0.712 1.00 0.00 C ATOM 558 CG LYS A 36 17.248 -2.364 0.239 1.00 0.00 C ATOM 559 CD LYS A 36 18.312 -1.406 -0.302 1.00 0.00 C ATOM 560 CE LYS A 36 19.247 -0.986 0.835 1.00 0.00 C ATOM 561 NZ LYS A 36 20.618 -1.278 0.333 1.00 0.00 N ATOM 0 H LYS A 36 15.020 -3.083 2.258 1.00 0.00 H new ATOM 0 HA LYS A 36 17.206 -1.162 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.118 -2.119 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.964 -0.627 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.655 -2.949 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.951 -3.070 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.882 -1.889 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.837 -0.528 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.130 0.071 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.034 -1.543 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.316 -1.016 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.702 -2.293 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.795 -0.729 -0.532 1.00 0.00 H new ATOM 575 N VAL A 37 14.618 0.562 1.734 1.00 0.00 N ATOM 576 CA VAL A 37 13.946 1.854 2.075 1.00 0.00 C ATOM 577 C VAL A 37 12.650 2.040 1.271 1.00 0.00 C ATOM 578 O VAL A 37 12.340 1.277 0.379 1.00 0.00 O ATOM 579 CB VAL A 37 14.974 2.921 1.694 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.290 4.284 1.563 1.00 0.00 C ATOM 581 CG2 VAL A 37 16.051 2.994 2.777 1.00 0.00 C ATOM 0 H VAL A 37 14.366 0.161 0.831 1.00 0.00 H new ATOM 0 HA VAL A 37 13.655 1.902 3.124 1.00 0.00 H new ATOM 0 HB VAL A 37 15.428 2.657 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.029 5.038 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.523 4.233 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.830 4.553 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.786 3.753 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.591 3.254 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.545 2.026 2.865 1.00 0.00 H new ATOM 591 N ILE A 38 11.895 3.061 1.591 1.00 0.00 N ATOM 592 CA ILE A 38 10.616 3.326 0.862 1.00 0.00 C ATOM 593 C ILE A 38 10.525 4.807 0.485 1.00 0.00 C ATOM 594 O ILE A 38 10.175 5.645 1.293 1.00 0.00 O ATOM 595 CB ILE A 38 9.490 2.930 1.838 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.208 3.694 1.491 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.882 3.255 3.284 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.000 2.785 1.710 1.00 0.00 C ATOM 0 H ILE A 38 12.111 3.728 2.332 1.00 0.00 H new ATOM 0 HA ILE A 38 10.547 2.759 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 38 9.324 1.857 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.123 4.585 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.241 4.030 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.072 2.967 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.785 2.705 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.068 4.325 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.087 3.327 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.085 1.907 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.965 2.471 2.753 1.00 0.00 H new ATOM 610 N ARG A 39 10.832 5.132 -0.742 1.00 0.00 N ATOM 611 CA ARG A 39 10.757 6.555 -1.175 1.00 0.00 C ATOM 612 C ARG A 39 9.558 6.770 -2.109 1.00 0.00 C ATOM 613 O ARG A 39 8.735 7.628 -1.859 1.00 0.00 O ATOM 614 CB ARG A 39 12.073 6.826 -1.906 1.00 0.00 C ATOM 615 CG ARG A 39 12.855 7.913 -1.167 1.00 0.00 C ATOM 616 CD ARG A 39 14.355 7.686 -1.360 1.00 0.00 C ATOM 617 NE ARG A 39 14.732 8.560 -2.505 1.00 0.00 N ATOM 618 CZ ARG A 39 14.517 8.163 -3.730 1.00 0.00 C ATOM 619 NH1 ARG A 39 15.395 7.409 -4.334 1.00 0.00 N ATOM 620 NH2 ARG A 39 13.425 8.518 -4.349 1.00 0.00 N ATOM 0 H ARG A 39 11.131 4.474 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 39 10.620 7.232 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.665 5.912 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.874 7.140 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.574 8.897 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.608 7.895 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.913 7.950 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.572 6.639 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 39 15.159 9.470 -2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.248 7.131 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.228 7.098 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.739 9.106 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.257 8.208 -5.306 1.00 0.00 H new ATOM 634 N PRO A 40 9.490 5.985 -3.159 1.00 0.00 N ATOM 635 CA PRO A 40 8.375 6.113 -4.118 1.00 0.00 C ATOM 636 C PRO A 40 7.148 5.310 -3.660 1.00 0.00 C ATOM 637 O PRO A 40 6.562 4.550 -4.413 1.00 0.00 O ATOM 638 CB PRO A 40 8.964 5.571 -5.415 1.00 0.00 C ATOM 639 CG PRO A 40 10.092 4.662 -5.013 1.00 0.00 C ATOM 640 CD PRO A 40 10.421 4.925 -3.558 1.00 0.00 C ATOM 0 HA PRO A 40 8.012 7.135 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.212 5.029 -5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.324 6.382 -6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.808 3.619 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.966 4.843 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.286 4.029 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.457 5.240 -3.436 1.00 0.00 H new ATOM 648 N CYS A 41 6.745 5.494 -2.434 1.00 0.00 N ATOM 649 CA CYS A 41 5.540 4.773 -1.923 1.00 0.00 C ATOM 650 C CYS A 41 4.272 5.507 -2.375 1.00 0.00 C ATOM 651 O CYS A 41 4.202 6.720 -2.335 1.00 0.00 O ATOM 652 CB CYS A 41 5.654 4.805 -0.396 1.00 0.00 C ATOM 653 SG CYS A 41 5.865 6.512 0.172 1.00 0.00 S ATOM 0 H CYS A 41 7.197 6.113 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 41 5.484 3.751 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.761 4.371 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.500 4.198 -0.073 1.00 0.00 H new ATOM 0 HG CYS A 41 5.256 7.320 -0.645 1.00 0.00 H new ATOM 659 N MET A 42 3.273 4.788 -2.811 1.00 0.00 N ATOM 660 CA MET A 42 2.022 5.461 -3.271 1.00 0.00 C ATOM 661 C MET A 42 0.786 4.817 -2.632 1.00 0.00 C ATOM 662 O MET A 42 0.859 3.774 -2.017 1.00 0.00 O ATOM 663 CB MET A 42 2.003 5.260 -4.786 1.00 0.00 C ATOM 664 CG MET A 42 2.564 6.505 -5.474 1.00 0.00 C ATOM 665 SD MET A 42 3.308 6.037 -7.056 1.00 0.00 S ATOM 666 CE MET A 42 1.765 5.737 -7.953 1.00 0.00 C ATOM 0 H MET A 42 3.267 3.770 -2.869 1.00 0.00 H new ATOM 0 HA MET A 42 2.002 6.514 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.595 4.385 -5.055 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.984 5.072 -5.126 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.769 7.234 -5.635 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.309 6.981 -4.836 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.847 4.808 -8.516 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.941 5.660 -7.244 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.577 6.562 -8.640 1.00 0.00 H new ATOM 676 N LYS A 43 -0.352 5.439 -2.777 1.00 0.00 N ATOM 677 CA LYS A 43 -1.599 4.874 -2.183 1.00 0.00 C ATOM 678 C LYS A 43 -2.813 5.312 -3.004 1.00 0.00 C ATOM 679 O LYS A 43 -2.911 6.447 -3.426 1.00 0.00 O ATOM 680 CB LYS A 43 -1.669 5.471 -0.779 1.00 0.00 C ATOM 681 CG LYS A 43 -3.004 5.101 -0.130 1.00 0.00 C ATOM 682 CD LYS A 43 -4.012 6.229 -0.357 1.00 0.00 C ATOM 683 CE LYS A 43 -5.240 6.005 0.529 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.210 7.120 1.515 1.00 0.00 N ATOM 0 H LYS A 43 -0.473 6.317 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.595 3.784 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.843 5.099 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.565 6.555 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.381 4.171 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.867 4.931 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.555 7.191 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.308 6.260 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.159 6.021 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.197 5.036 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.022 7.036 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.327 7.075 2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.259 8.029 1.013 1.00 0.00 H new ATOM 698 N LYS A 44 -3.740 4.426 -3.230 1.00 0.00 N ATOM 699 CA LYS A 44 -4.948 4.798 -4.019 1.00 0.00 C ATOM 700 C LYS A 44 -6.193 4.197 -3.368 1.00 0.00 C ATOM 701 O LYS A 44 -6.103 3.303 -2.550 1.00 0.00 O ATOM 702 CB LYS A 44 -4.719 4.199 -5.406 1.00 0.00 C ATOM 703 CG LYS A 44 -5.983 4.373 -6.252 1.00 0.00 C ATOM 704 CD LYS A 44 -5.791 3.687 -7.606 1.00 0.00 C ATOM 705 CE LYS A 44 -5.598 4.746 -8.694 1.00 0.00 C ATOM 706 NZ LYS A 44 -6.811 5.607 -8.609 1.00 0.00 N ATOM 0 H LYS A 44 -3.715 3.460 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.100 5.876 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.874 4.689 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.468 3.142 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.841 3.945 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.194 5.433 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.926 3.025 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.657 3.067 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.690 5.325 -8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.506 4.288 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.067 5.940 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.599 5.058 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.614 6.424 -7.997 1.00 0.00 H new ATOM 720 N THR A 45 -7.354 4.676 -3.716 1.00 0.00 N ATOM 721 CA THR A 45 -8.587 4.120 -3.101 1.00 0.00 C ATOM 722 C THR A 45 -9.823 4.503 -3.916 1.00 0.00 C ATOM 723 O THR A 45 -9.895 5.563 -4.506 1.00 0.00 O ATOM 724 CB THR A 45 -8.652 4.757 -1.712 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.697 4.139 -0.863 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.055 4.569 -1.133 1.00 0.00 C ATOM 0 H THR A 45 -7.501 5.423 -4.395 1.00 0.00 H new ATOM 0 HA THR A 45 -8.565 3.031 -3.061 1.00 0.00 H new ATOM 0 HB THR A 45 -8.431 5.822 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.152 3.755 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.104 5.022 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.785 5.046 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.277 3.505 -1.056 1.00 0.00 H new ATOM 734 N ILE A 46 -10.809 3.653 -3.915 1.00 0.00 N ATOM 735 CA ILE A 46 -12.068 3.952 -4.646 1.00 0.00 C ATOM 736 C ILE A 46 -13.188 3.978 -3.618 1.00 0.00 C ATOM 737 O ILE A 46 -14.264 3.456 -3.818 1.00 0.00 O ATOM 738 CB ILE A 46 -12.248 2.795 -5.619 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.462 1.502 -4.830 1.00 0.00 C ATOM 740 CG2 ILE A 46 -10.993 2.665 -6.482 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.069 0.443 -5.745 1.00 0.00 C ATOM 0 H ILE A 46 -10.796 2.754 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.060 4.903 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.112 2.979 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.513 1.149 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.121 1.686 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.116 1.838 -7.181 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.836 3.589 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.130 2.475 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.222 -0.479 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.026 0.798 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.393 0.252 -6.579 1.00 0.00 H new ATOM 753 N TYR A 47 -12.900 4.552 -2.494 1.00 0.00 N ATOM 754 CA TYR A 47 -13.890 4.603 -1.389 1.00 0.00 C ATOM 755 C TYR A 47 -14.991 5.634 -1.640 1.00 0.00 C ATOM 756 O TYR A 47 -15.249 6.045 -2.754 1.00 0.00 O ATOM 757 CB TYR A 47 -13.073 4.971 -0.147 1.00 0.00 C ATOM 758 CG TYR A 47 -12.620 6.419 -0.203 1.00 0.00 C ATOM 759 CD1 TYR A 47 -12.661 7.143 -1.406 1.00 0.00 C ATOM 760 CD2 TYR A 47 -12.150 7.036 0.964 1.00 0.00 C ATOM 761 CE1 TYR A 47 -12.233 8.476 -1.435 1.00 0.00 C ATOM 762 CE2 TYR A 47 -11.723 8.370 0.931 1.00 0.00 C ATOM 763 CZ TYR A 47 -11.765 9.089 -0.268 1.00 0.00 C ATOM 764 OH TYR A 47 -11.344 10.402 -0.300 1.00 0.00 O ATOM 0 H TYR A 47 -12.006 4.997 -2.287 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.410 3.651 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.673 4.808 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.204 4.317 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -13.022 6.672 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.117 6.482 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.264 9.032 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.361 8.843 1.832 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.051 10.674 0.595 1.00 0.00 H new ATOM 774 N GLU A 48 -15.647 6.029 -0.589 1.00 0.00 N ATOM 775 CA GLU A 48 -16.761 7.018 -0.696 1.00 0.00 C ATOM 776 C GLU A 48 -16.256 8.399 -1.102 1.00 0.00 C ATOM 777 O GLU A 48 -15.320 8.536 -1.863 1.00 0.00 O ATOM 778 CB GLU A 48 -17.343 7.077 0.714 1.00 0.00 C ATOM 779 CG GLU A 48 -16.442 7.924 1.646 1.00 0.00 C ATOM 780 CD GLU A 48 -14.966 7.612 1.395 1.00 0.00 C ATOM 781 OE1 GLU A 48 -14.533 6.540 1.787 1.00 0.00 O ATOM 782 OE2 GLU A 48 -14.293 8.450 0.817 1.00 0.00 O ATOM 0 H GLU A 48 -15.458 5.704 0.359 1.00 0.00 H new ATOM 0 HA GLU A 48 -17.486 6.725 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.345 7.506 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.441 6.068 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.629 8.984 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.691 7.718 2.687 1.00 0.00 H new ATOM 789 N ASN A 49 -16.873 9.426 -0.582 1.00 0.00 N ATOM 790 CA ASN A 49 -16.429 10.807 -0.924 1.00 0.00 C ATOM 791 C ASN A 49 -15.970 11.505 0.351 1.00 0.00 C ATOM 792 O ASN A 49 -14.977 12.206 0.375 1.00 0.00 O ATOM 793 CB ASN A 49 -17.667 11.495 -1.500 1.00 0.00 C ATOM 794 CG ASN A 49 -17.410 11.862 -2.964 1.00 0.00 C ATOM 795 OD1 ASN A 49 -16.860 11.079 -3.712 1.00 0.00 O ATOM 796 ND2 ASN A 49 -17.789 13.031 -3.405 1.00 0.00 N ATOM 0 H ASN A 49 -17.662 9.369 0.062 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.600 10.826 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.531 10.835 -1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.900 12.391 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.623 13.287 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.251 13.688 -2.776 1.00 0.00 H new ATOM 803 N GLU A 50 -16.690 11.300 1.411 1.00 0.00 N ATOM 804 CA GLU A 50 -16.321 11.923 2.708 1.00 0.00 C ATOM 805 C GLU A 50 -17.256 11.414 3.804 1.00 0.00 C ATOM 806 O GLU A 50 -17.491 12.085 4.790 1.00 0.00 O ATOM 807 CB GLU A 50 -16.507 13.426 2.495 1.00 0.00 C ATOM 808 CG GLU A 50 -15.144 14.120 2.529 1.00 0.00 C ATOM 809 CD GLU A 50 -15.336 15.609 2.820 1.00 0.00 C ATOM 810 OE1 GLU A 50 -16.218 16.202 2.222 1.00 0.00 O ATOM 811 OE2 GLU A 50 -14.595 16.132 3.637 1.00 0.00 O ATOM 0 H GLU A 50 -17.529 10.721 1.436 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.302 11.684 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.997 13.610 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.155 13.836 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.513 13.668 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.633 13.988 1.575 1.00 0.00 H new ATOM 818 N ARG A 51 -17.803 10.235 3.644 1.00 0.00 N ATOM 819 CA ARG A 51 -18.729 9.714 4.689 1.00 0.00 C ATOM 820 C ARG A 51 -18.841 8.183 4.641 1.00 0.00 C ATOM 821 O ARG A 51 -19.091 7.552 5.649 1.00 0.00 O ATOM 822 CB ARG A 51 -20.079 10.355 4.367 1.00 0.00 C ATOM 823 CG ARG A 51 -20.440 11.362 5.460 1.00 0.00 C ATOM 824 CD ARG A 51 -21.937 11.674 5.393 1.00 0.00 C ATOM 825 NE ARG A 51 -22.078 13.021 6.010 1.00 0.00 N ATOM 826 CZ ARG A 51 -22.275 13.132 7.295 1.00 0.00 C ATOM 827 NH1 ARG A 51 -23.304 12.553 7.850 1.00 0.00 N ATOM 828 NH2 ARG A 51 -21.443 13.822 8.026 1.00 0.00 N ATOM 0 H ARG A 51 -17.650 9.619 2.845 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.374 9.956 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -20.035 10.854 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -20.850 9.588 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -20.185 10.958 6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.861 12.277 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -22.295 11.672 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -22.520 10.929 5.934 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.021 13.857 5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -23.955 12.013 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -23.458 12.640 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -20.638 14.275 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -21.597 13.908 9.031 1.00 0.00 H new ATOM 842 N GLU A 52 -18.690 7.569 3.494 1.00 0.00 N ATOM 843 CA GLU A 52 -18.831 6.075 3.453 1.00 0.00 C ATOM 844 C GLU A 52 -17.489 5.379 3.211 1.00 0.00 C ATOM 845 O GLU A 52 -16.430 5.900 3.490 1.00 0.00 O ATOM 846 CB GLU A 52 -19.781 5.795 2.283 1.00 0.00 C ATOM 847 CG GLU A 52 -20.914 6.821 2.276 1.00 0.00 C ATOM 848 CD GLU A 52 -22.260 6.097 2.226 1.00 0.00 C ATOM 849 OE1 GLU A 52 -22.694 5.768 1.134 1.00 0.00 O ATOM 850 OE2 GLU A 52 -22.835 5.884 3.280 1.00 0.00 O ATOM 0 H GLU A 52 -18.480 8.020 2.604 1.00 0.00 H new ATOM 0 HA GLU A 52 -19.204 5.694 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.234 5.838 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.191 4.789 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.858 7.446 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.813 7.483 1.416 1.00 0.00 H new ATOM 857 N ILE A 53 -17.552 4.195 2.676 1.00 0.00 N ATOM 858 CA ILE A 53 -16.313 3.415 2.367 1.00 0.00 C ATOM 859 C ILE A 53 -16.596 2.480 1.189 1.00 0.00 C ATOM 860 O ILE A 53 -17.628 1.844 1.133 1.00 0.00 O ATOM 861 CB ILE A 53 -15.985 2.596 3.616 1.00 0.00 C ATOM 862 CG1 ILE A 53 -15.871 3.507 4.841 1.00 0.00 C ATOM 863 CG2 ILE A 53 -14.649 1.892 3.396 1.00 0.00 C ATOM 864 CD1 ILE A 53 -14.683 4.456 4.665 1.00 0.00 C ATOM 0 H ILE A 53 -18.423 3.722 2.434 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.480 4.067 2.103 1.00 0.00 H new ATOM 0 HB ILE A 53 -16.781 1.872 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.790 4.078 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -15.740 2.908 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.399 1.302 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.722 1.235 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.870 2.635 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.603 5.104 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.766 3.876 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.833 5.065 3.773 1.00 0.00 H new ATOM 876 N LYS A 54 -15.702 2.390 0.242 1.00 0.00 N ATOM 877 CA LYS A 54 -15.963 1.490 -0.924 1.00 0.00 C ATOM 878 C LYS A 54 -14.768 0.569 -1.221 1.00 0.00 C ATOM 879 O LYS A 54 -14.872 -0.635 -1.101 1.00 0.00 O ATOM 880 CB LYS A 54 -16.234 2.419 -2.105 1.00 0.00 C ATOM 881 CG LYS A 54 -17.700 2.294 -2.524 1.00 0.00 C ATOM 882 CD LYS A 54 -18.504 3.444 -1.914 1.00 0.00 C ATOM 883 CE LYS A 54 -19.995 3.104 -1.956 1.00 0.00 C ATOM 884 NZ LYS A 54 -20.580 3.788 -0.769 1.00 0.00 N ATOM 0 H LYS A 54 -14.814 2.891 0.221 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.804 0.826 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.010 3.450 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.582 2.163 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.782 2.315 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.104 1.337 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.188 3.616 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.315 4.366 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.454 3.455 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -20.156 2.027 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.602 3.601 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.129 3.428 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.418 4.813 -0.844 1.00 0.00 H new ATOM 898 N GLY A 55 -13.642 1.103 -1.625 1.00 0.00 N ATOM 899 CA GLY A 55 -12.487 0.209 -1.933 1.00 0.00 C ATOM 900 C GLY A 55 -11.187 0.848 -1.451 1.00 0.00 C ATOM 901 O GLY A 55 -11.157 1.993 -1.051 1.00 0.00 O ATOM 0 H GLY A 55 -13.475 2.101 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.627 -0.758 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.435 0.025 -3.006 1.00 0.00 H new ATOM 905 N TYR A 56 -10.107 0.114 -1.485 1.00 0.00 N ATOM 906 CA TYR A 56 -8.809 0.682 -1.025 1.00 0.00 C ATOM 907 C TYR A 56 -7.633 -0.081 -1.642 1.00 0.00 C ATOM 908 O TYR A 56 -7.232 -1.119 -1.153 1.00 0.00 O ATOM 909 CB TYR A 56 -8.821 0.499 0.494 1.00 0.00 C ATOM 910 CG TYR A 56 -8.594 1.830 1.167 1.00 0.00 C ATOM 911 CD1 TYR A 56 -7.291 2.290 1.388 1.00 0.00 C ATOM 912 CD2 TYR A 56 -9.688 2.605 1.571 1.00 0.00 C ATOM 913 CE1 TYR A 56 -7.081 3.525 2.014 1.00 0.00 C ATOM 914 CE2 TYR A 56 -9.479 3.838 2.197 1.00 0.00 C ATOM 915 CZ TYR A 56 -8.175 4.299 2.419 1.00 0.00 C ATOM 916 OH TYR A 56 -7.968 5.516 3.035 1.00 0.00 O ATOM 0 H TYR A 56 -10.068 -0.852 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.693 1.725 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.775 0.078 0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.046 -0.207 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.447 1.693 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.694 2.250 1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.075 3.880 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.323 4.435 2.509 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.832 5.925 3.251 1.00 0.00 H new ATOM 926 N GLU A 57 -7.064 0.429 -2.703 1.00 0.00 N ATOM 927 CA GLU A 57 -5.903 -0.273 -3.324 1.00 0.00 C ATOM 928 C GLU A 57 -4.599 0.284 -2.745 1.00 0.00 C ATOM 929 O GLU A 57 -4.588 1.306 -2.088 1.00 0.00 O ATOM 930 CB GLU A 57 -6.004 -0.002 -4.827 1.00 0.00 C ATOM 931 CG GLU A 57 -6.195 1.495 -5.075 1.00 0.00 C ATOM 932 CD GLU A 57 -7.674 1.785 -5.337 1.00 0.00 C ATOM 933 OE1 GLU A 57 -8.476 1.512 -4.459 1.00 0.00 O ATOM 934 OE2 GLU A 57 -7.980 2.275 -6.412 1.00 0.00 O ATOM 0 H GLU A 57 -7.350 1.293 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.911 -1.345 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.102 -0.350 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.840 -0.559 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.849 2.064 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.595 1.813 -5.928 1.00 0.00 H new ATOM 941 N TYR A 58 -3.506 -0.398 -2.951 1.00 0.00 N ATOM 942 CA TYR A 58 -2.211 0.078 -2.370 1.00 0.00 C ATOM 943 C TYR A 58 -1.071 -0.048 -3.379 1.00 0.00 C ATOM 944 O TYR A 58 -0.927 -1.046 -4.055 1.00 0.00 O ATOM 945 CB TYR A 58 -1.998 -0.879 -1.202 1.00 0.00 C ATOM 946 CG TYR A 58 -0.655 -0.671 -0.530 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.531 0.294 0.472 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.447 -1.483 -0.857 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.679 0.453 1.153 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.662 -1.312 -0.180 1.00 0.00 C ATOM 951 CZ TYR A 58 1.773 -0.349 0.829 1.00 0.00 C ATOM 952 OH TYR A 58 2.967 -0.192 1.504 1.00 0.00 O ATOM 0 H TYR A 58 -3.450 -1.260 -3.493 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.232 1.129 -2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.794 -0.740 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.069 -1.907 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.374 0.921 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.357 -2.235 -1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.767 1.197 1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.514 -1.924 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 58 2.795 0.193 2.388 1.00 0.00 H new ATOM 962 N GLN A 59 -0.245 0.955 -3.459 1.00 0.00 N ATOM 963 CA GLN A 59 0.913 0.904 -4.389 1.00 0.00 C ATOM 964 C GLN A 59 2.145 1.413 -3.644 1.00 0.00 C ATOM 965 O GLN A 59 2.276 2.587 -3.372 1.00 0.00 O ATOM 966 CB GLN A 59 0.547 1.834 -5.547 1.00 0.00 C ATOM 967 CG GLN A 59 -0.252 1.057 -6.595 1.00 0.00 C ATOM 968 CD GLN A 59 -0.928 2.039 -7.553 1.00 0.00 C ATOM 969 OE1 GLN A 59 -2.066 1.847 -7.936 1.00 0.00 O ATOM 970 NE2 GLN A 59 -0.273 3.091 -7.959 1.00 0.00 N ATOM 0 H GLN A 59 -0.324 1.814 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 59 1.131 -0.099 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.039 2.676 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.451 2.246 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.408 0.388 -7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.002 0.434 -6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.682 3.253 -7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.715 3.752 -8.597 1.00 0.00 H new ATOM 979 N LEU A 60 3.039 0.540 -3.289 1.00 0.00 N ATOM 980 CA LEU A 60 4.240 0.979 -2.530 1.00 0.00 C ATOM 981 C LEU A 60 5.499 0.659 -3.316 1.00 0.00 C ATOM 982 O LEU A 60 6.180 -0.313 -3.057 1.00 0.00 O ATOM 983 CB LEU A 60 4.184 0.173 -1.237 1.00 0.00 C ATOM 984 CG LEU A 60 5.248 0.668 -0.257 1.00 0.00 C ATOM 985 CD1 LEU A 60 4.606 1.637 0.739 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.829 -0.524 0.504 1.00 0.00 C ATOM 0 H LEU A 60 2.992 -0.459 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 60 4.256 2.053 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.195 0.263 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.341 -0.884 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 60 6.042 1.176 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.362 1.992 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.183 2.485 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.815 1.125 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.588 -0.174 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.034 -1.028 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.280 -1.221 -0.202 1.00 0.00 H new ATOM 998 N TYR A 61 5.817 1.480 -4.266 1.00 0.00 N ATOM 999 CA TYR A 61 7.034 1.237 -5.065 1.00 0.00 C ATOM 1000 C TYR A 61 8.248 1.595 -4.212 1.00 0.00 C ATOM 1001 O TYR A 61 8.474 2.743 -3.890 1.00 0.00 O ATOM 1002 CB TYR A 61 6.861 2.160 -6.264 1.00 0.00 C ATOM 1003 CG TYR A 61 8.185 2.372 -6.962 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.207 1.423 -6.838 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.389 3.519 -7.738 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.431 1.620 -7.487 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.614 3.717 -8.388 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.635 2.768 -8.262 1.00 0.00 C ATOM 1009 OH TYR A 61 11.842 2.962 -8.902 1.00 0.00 O ATOM 0 H TYR A 61 5.284 2.311 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 61 7.180 0.206 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.140 1.731 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.457 3.118 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.050 0.537 -6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.602 4.252 -7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.218 0.887 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.771 4.602 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 61 11.817 3.807 -9.398 1.00 0.00 H new ATOM 1019 N VAL A 62 9.007 0.611 -3.812 1.00 0.00 N ATOM 1020 CA VAL A 62 10.186 0.872 -2.945 1.00 0.00 C ATOM 1021 C VAL A 62 11.149 -0.305 -3.022 1.00 0.00 C ATOM 1022 O VAL A 62 11.122 -1.090 -3.949 1.00 0.00 O ATOM 1023 CB VAL A 62 9.613 0.973 -1.528 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.690 2.185 -1.416 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.817 -0.294 -1.214 1.00 0.00 C ATOM 0 H VAL A 62 8.858 -0.369 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 62 10.730 1.769 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 62 10.435 1.084 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.290 2.245 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.252 3.092 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.869 2.084 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.407 -0.226 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.002 -0.399 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.473 -1.162 -1.281 1.00 0.00 H new ATOM 1035 N TYR A 63 11.981 -0.442 -2.039 1.00 0.00 N ATOM 1036 CA TYR A 63 12.935 -1.578 -2.022 1.00 0.00 C ATOM 1037 C TYR A 63 13.064 -2.113 -0.598 1.00 0.00 C ATOM 1038 O TYR A 63 13.202 -1.362 0.347 1.00 0.00 O ATOM 1039 CB TYR A 63 14.266 -1.011 -2.508 1.00 0.00 C ATOM 1040 CG TYR A 63 15.277 -2.129 -2.652 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.853 -3.460 -2.800 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.644 -1.831 -2.644 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.798 -4.484 -2.940 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.587 -2.855 -2.782 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.165 -4.181 -2.931 1.00 0.00 C ATOM 1046 OH TYR A 63 18.095 -5.191 -3.068 1.00 0.00 O ATOM 0 H TYR A 63 12.044 0.188 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 63 12.606 -2.403 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.129 -0.506 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.633 -0.265 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.799 -3.694 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.972 -0.808 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.472 -5.507 -3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.642 -2.622 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 63 18.998 -4.810 -3.042 1.00 0.00 H new ATOM 1056 N ALA A 64 13.012 -3.402 -0.435 1.00 0.00 N ATOM 1057 CA ALA A 64 13.124 -3.981 0.929 1.00 0.00 C ATOM 1058 C ALA A 64 14.175 -5.097 0.933 1.00 0.00 C ATOM 1059 O ALA A 64 15.307 -4.889 0.545 1.00 0.00 O ATOM 1060 CB ALA A 64 11.731 -4.528 1.222 1.00 0.00 C ATOM 0 H ALA A 64 12.897 -4.081 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 64 13.439 -3.257 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.718 -4.978 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.005 -3.716 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.473 -5.282 0.479 1.00 0.00 H new ATOM 1066 N SER A 65 13.815 -6.282 1.355 1.00 0.00 N ATOM 1067 CA SER A 65 14.798 -7.401 1.357 1.00 0.00 C ATOM 1068 C SER A 65 14.596 -8.250 0.101 1.00 0.00 C ATOM 1069 O SER A 65 15.456 -9.010 -0.299 1.00 0.00 O ATOM 1070 CB SER A 65 14.480 -8.209 2.614 1.00 0.00 C ATOM 1071 OG SER A 65 14.809 -9.574 2.391 1.00 0.00 O ATOM 0 H SER A 65 12.884 -6.521 1.697 1.00 0.00 H new ATOM 0 HA SER A 65 15.832 -7.057 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.044 -7.821 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.423 -8.114 2.864 1.00 0.00 H new ATOM 0 HG SER A 65 14.608 -10.095 3.196 1.00 0.00 H new ATOM 1077 N ASP A 66 13.458 -8.116 -0.525 1.00 0.00 N ATOM 1078 CA ASP A 66 13.177 -8.900 -1.762 1.00 0.00 C ATOM 1079 C ASP A 66 12.096 -8.194 -2.590 1.00 0.00 C ATOM 1080 O ASP A 66 11.440 -8.796 -3.416 1.00 0.00 O ATOM 1081 CB ASP A 66 12.674 -10.257 -1.268 1.00 0.00 C ATOM 1082 CG ASP A 66 13.605 -11.361 -1.771 1.00 0.00 C ATOM 1083 OD1 ASP A 66 14.744 -11.394 -1.336 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.163 -12.156 -2.585 1.00 0.00 O ATOM 0 H ASP A 66 12.706 -7.493 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 66 14.056 -9.003 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.635 -10.268 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.659 -10.432 -1.625 1.00 0.00 H new ATOM 1089 N LYS A 67 11.908 -6.921 -2.367 1.00 0.00 N ATOM 1090 CA LYS A 67 10.872 -6.167 -3.133 1.00 0.00 C ATOM 1091 C LYS A 67 11.525 -5.048 -3.942 1.00 0.00 C ATOM 1092 O LYS A 67 11.524 -3.901 -3.552 1.00 0.00 O ATOM 1093 CB LYS A 67 9.952 -5.581 -2.072 1.00 0.00 C ATOM 1094 CG LYS A 67 9.087 -4.478 -2.688 1.00 0.00 C ATOM 1095 CD LYS A 67 9.348 -3.156 -1.965 1.00 0.00 C ATOM 1096 CE LYS A 67 9.189 -3.354 -0.454 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.861 -2.764 -0.120 1.00 0.00 N ATOM 0 H LYS A 67 12.428 -6.369 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 67 10.336 -6.802 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.318 -6.363 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.542 -5.177 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.314 -4.374 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.033 -4.744 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.353 -2.799 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.652 -2.394 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.228 -4.411 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.990 -2.858 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.976 -2.051 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.458 -2.315 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.222 -3.514 0.212 1.00 0.00 H new ATOM 1111 N LEU A 68 12.068 -5.380 -5.068 1.00 0.00 N ATOM 1112 CA LEU A 68 12.717 -4.343 -5.924 1.00 0.00 C ATOM 1113 C LEU A 68 11.670 -3.667 -6.802 1.00 0.00 C ATOM 1114 O LEU A 68 11.772 -3.677 -8.012 1.00 0.00 O ATOM 1115 CB LEU A 68 13.712 -5.109 -6.793 1.00 0.00 C ATOM 1116 CG LEU A 68 15.051 -5.215 -6.065 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.695 -6.566 -6.375 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.974 -4.089 -6.536 1.00 0.00 C ATOM 0 H LEU A 68 12.095 -6.329 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 68 13.202 -3.566 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.327 -6.104 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.845 -4.599 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 68 14.890 -5.129 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.650 -6.641 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.036 -7.368 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.858 -6.653 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.930 -4.162 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.135 -4.176 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 15.515 -3.126 -6.315 1.00 0.00 H new ATOM 1130 N PHE A 69 10.658 -3.085 -6.212 1.00 0.00 N ATOM 1131 CA PHE A 69 9.610 -2.422 -7.036 1.00 0.00 C ATOM 1132 C PHE A 69 8.411 -2.034 -6.163 1.00 0.00 C ATOM 1133 O PHE A 69 8.547 -1.235 -5.271 1.00 0.00 O ATOM 1134 CB PHE A 69 9.224 -3.433 -8.122 1.00 0.00 C ATOM 1135 CG PHE A 69 9.274 -4.848 -7.578 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.703 -5.152 -6.336 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.913 -5.852 -8.318 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.766 -6.460 -5.838 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.978 -7.159 -7.819 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.404 -7.463 -6.579 1.00 0.00 C ATOM 0 H PHE A 69 10.514 -3.041 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 69 9.969 -1.496 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.221 -3.214 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.902 -3.340 -8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.214 -4.378 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.356 -5.617 -9.275 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.322 -6.695 -4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.471 -7.932 -8.390 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.453 -8.471 -6.194 1.00 0.00 H new ATOM 1150 N ARG A 70 7.236 -2.562 -6.400 1.00 0.00 N ATOM 1151 CA ARG A 70 6.081 -2.139 -5.554 1.00 0.00 C ATOM 1152 C ARG A 70 5.399 -3.301 -4.851 1.00 0.00 C ATOM 1153 O ARG A 70 5.278 -4.392 -5.370 1.00 0.00 O ATOM 1154 CB ARG A 70 5.085 -1.513 -6.526 1.00 0.00 C ATOM 1155 CG ARG A 70 3.863 -0.977 -5.755 1.00 0.00 C ATOM 1156 CD ARG A 70 3.110 0.022 -6.639 1.00 0.00 C ATOM 1157 NE ARG A 70 3.045 -0.619 -7.981 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.248 0.093 -9.055 1.00 0.00 C ATOM 1159 NH1 ARG A 70 4.465 0.403 -9.412 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.235 0.496 -9.773 1.00 0.00 N ATOM 0 H ARG A 70 7.030 -3.250 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 70 6.427 -1.465 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.562 -0.702 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.766 -2.253 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.206 -1.800 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.183 -0.495 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.112 0.220 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.630 0.979 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 70 2.842 -1.615 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.257 0.088 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.624 0.960 -10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.284 0.254 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.394 1.053 -10.613 1.00 0.00 H new ATOM 1174 N ALA A 71 4.880 -3.024 -3.694 1.00 0.00 N ATOM 1175 CA ALA A 71 4.111 -4.038 -2.943 1.00 0.00 C ATOM 1176 C ALA A 71 2.660 -3.574 -2.984 1.00 0.00 C ATOM 1177 O ALA A 71 2.296 -2.609 -2.346 1.00 0.00 O ATOM 1178 CB ALA A 71 4.664 -4.004 -1.517 1.00 0.00 C ATOM 0 H ALA A 71 4.959 -2.119 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 71 4.181 -5.051 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.136 -4.735 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.727 -4.245 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.524 -3.008 -1.096 1.00 0.00 H new ATOM 1184 N ASP A 72 1.837 -4.201 -3.770 1.00 0.00 N ATOM 1185 CA ASP A 72 0.431 -3.729 -3.869 1.00 0.00 C ATOM 1186 C ASP A 72 -0.422 -4.334 -2.755 1.00 0.00 C ATOM 1187 O ASP A 72 -0.046 -5.300 -2.128 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.053 -4.210 -5.236 1.00 0.00 C ATOM 1189 CG ASP A 72 0.703 -3.466 -6.337 1.00 0.00 C ATOM 1190 OD1 ASP A 72 0.707 -2.246 -6.306 1.00 0.00 O ATOM 1191 OD2 ASP A 72 1.266 -4.128 -7.194 1.00 0.00 O ATOM 0 H ASP A 72 2.072 -5.011 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 72 0.356 -2.647 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.107 -5.284 -5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.125 -4.037 -5.336 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.573 -3.768 -2.519 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.483 -4.294 -1.459 1.00 0.00 C ATOM 1198 C ILE A 73 -3.904 -3.788 -1.730 1.00 0.00 C ATOM 1199 O ILE A 73 -4.226 -2.642 -1.484 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.928 -3.753 -0.124 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -1.149 -4.859 0.590 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -3.067 -3.285 0.789 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -2.100 -6.004 0.946 1.00 0.00 C ATOM 0 H ILE A 73 -1.927 -2.954 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.527 -5.383 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.275 -2.908 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.346 -5.225 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.682 -4.465 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.652 -2.908 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.627 -2.492 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.732 -4.122 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.546 -6.793 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.887 -5.633 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.545 -6.404 0.035 1.00 0.00 H new ATOM 1215 N SER A 74 -4.752 -4.633 -2.238 1.00 0.00 N ATOM 1216 CA SER A 74 -6.150 -4.211 -2.532 1.00 0.00 C ATOM 1217 C SER A 74 -7.055 -4.546 -1.342 1.00 0.00 C ATOM 1218 O SER A 74 -6.746 -5.410 -0.546 1.00 0.00 O ATOM 1219 CB SER A 74 -6.554 -5.031 -3.756 1.00 0.00 C ATOM 1220 OG SER A 74 -7.385 -4.243 -4.598 1.00 0.00 O ATOM 0 H SER A 74 -4.538 -5.604 -2.464 1.00 0.00 H new ATOM 0 HA SER A 74 -6.236 -3.139 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.667 -5.353 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.082 -5.932 -3.446 1.00 0.00 H new ATOM 0 HG SER A 74 -7.644 -4.767 -5.385 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.172 -3.880 -1.209 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.074 -4.191 -0.060 1.00 0.00 C ATOM 1228 C GLU A 75 -10.493 -3.671 -0.305 1.00 0.00 C ATOM 1229 O GLU A 75 -10.796 -2.517 -0.078 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.444 -3.488 1.143 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.877 -4.532 2.106 1.00 0.00 C ATOM 1232 CD GLU A 75 -8.206 -4.132 3.545 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.810 -3.049 3.943 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -8.849 -4.914 4.224 1.00 0.00 O ATOM 0 H GLU A 75 -8.496 -3.144 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.169 -5.266 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.652 -2.816 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.189 -2.876 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.298 -5.513 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.798 -4.612 1.978 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.362 -4.526 -0.771 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.769 -4.106 -1.039 1.00 0.00 C ATOM 1243 C ASP A 76 -13.423 -3.537 0.224 1.00 0.00 C ATOM 1244 O ASP A 76 -12.868 -3.586 1.304 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.488 -5.388 -1.462 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.586 -6.334 -0.264 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -12.556 -6.633 0.317 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -14.690 -6.744 0.052 1.00 0.00 O ATOM 0 H ASP A 76 -11.157 -5.503 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.817 -3.325 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.484 -5.153 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.947 -5.870 -2.277 1.00 0.00 H new ATOM 1253 N TYR A 77 -14.611 -3.007 0.090 1.00 0.00 N ATOM 1254 CA TYR A 77 -15.326 -2.442 1.271 1.00 0.00 C ATOM 1255 C TYR A 77 -16.829 -2.410 0.985 1.00 0.00 C ATOM 1256 O TYR A 77 -17.589 -3.203 1.506 1.00 0.00 O ATOM 1257 CB TYR A 77 -14.775 -1.025 1.435 1.00 0.00 C ATOM 1258 CG TYR A 77 -14.315 -0.828 2.859 1.00 0.00 C ATOM 1259 CD1 TYR A 77 -15.187 -1.102 3.919 1.00 0.00 C ATOM 1260 CD2 TYR A 77 -13.017 -0.373 3.118 1.00 0.00 C ATOM 1261 CE1 TYR A 77 -14.759 -0.923 5.241 1.00 0.00 C ATOM 1262 CE2 TYR A 77 -12.590 -0.192 4.440 1.00 0.00 C ATOM 1263 CZ TYR A 77 -13.460 -0.470 5.501 1.00 0.00 C ATOM 1264 OH TYR A 77 -13.039 -0.293 6.803 1.00 0.00 O ATOM 0 H TYR A 77 -15.119 -2.941 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.178 -3.032 2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.945 -0.864 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -15.543 -0.293 1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -16.189 -1.451 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.345 -0.162 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.431 -1.134 6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.590 0.162 4.641 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.112 0.025 6.807 1.00 0.00 H new ATOM 1274 N LYS A 78 -17.259 -1.511 0.143 1.00 0.00 N ATOM 1275 CA LYS A 78 -18.709 -1.438 -0.201 1.00 0.00 C ATOM 1276 C LYS A 78 -18.880 -1.681 -1.702 1.00 0.00 C ATOM 1277 O LYS A 78 -19.852 -2.260 -2.142 1.00 0.00 O ATOM 1278 CB LYS A 78 -19.149 -0.023 0.174 1.00 0.00 C ATOM 1279 CG LYS A 78 -20.664 0.103 0.001 1.00 0.00 C ATOM 1280 CD LYS A 78 -21.348 -0.035 1.362 1.00 0.00 C ATOM 1281 CE LYS A 78 -22.848 -0.255 1.160 1.00 0.00 C ATOM 1282 NZ LYS A 78 -23.457 -0.005 2.496 1.00 0.00 N ATOM 0 H LYS A 78 -16.668 -0.822 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.304 -2.185 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.871 0.195 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.639 0.707 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.911 1.066 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.028 -0.666 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.918 -0.871 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.178 0.861 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.249 0.426 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.056 -1.268 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.487 -0.137 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.061 -0.672 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.249 0.969 2.796 1.00 0.00 H new ATOM 1296 N THR A 79 -17.926 -1.256 -2.486 1.00 0.00 N ATOM 1297 CA THR A 79 -18.013 -1.476 -3.958 1.00 0.00 C ATOM 1298 C THR A 79 -17.376 -2.821 -4.314 1.00 0.00 C ATOM 1299 O THR A 79 -17.229 -3.165 -5.469 1.00 0.00 O ATOM 1300 CB THR A 79 -17.226 -0.323 -4.585 1.00 0.00 C ATOM 1301 OG1 THR A 79 -16.444 0.318 -3.586 1.00 0.00 O ATOM 1302 CG2 THR A 79 -18.197 0.685 -5.202 1.00 0.00 C ATOM 0 H THR A 79 -17.089 -0.765 -2.170 1.00 0.00 H new ATOM 0 HA THR A 79 -19.042 -1.499 -4.317 1.00 0.00 H new ATOM 0 HB THR A 79 -16.569 -0.714 -5.362 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.516 0.389 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.635 1.505 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 79 -18.792 0.193 -5.971 1.00 0.00 H new ATOM 0 HG23 THR A 79 -18.857 1.076 -4.427 1.00 0.00 H new ATOM 1310 N ARG A 80 -17.001 -3.584 -3.320 1.00 0.00 N ATOM 1311 CA ARG A 80 -16.376 -4.914 -3.574 1.00 0.00 C ATOM 1312 C ARG A 80 -14.996 -4.757 -4.218 1.00 0.00 C ATOM 1313 O ARG A 80 -14.706 -5.355 -5.236 1.00 0.00 O ATOM 1314 CB ARG A 80 -17.333 -5.640 -4.522 1.00 0.00 C ATOM 1315 CG ARG A 80 -18.776 -5.438 -4.050 1.00 0.00 C ATOM 1316 CD ARG A 80 -18.867 -5.720 -2.548 1.00 0.00 C ATOM 1317 NE ARG A 80 -18.162 -7.019 -2.361 1.00 0.00 N ATOM 1318 CZ ARG A 80 -18.791 -8.142 -2.579 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -19.960 -8.135 -3.161 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -18.250 -9.273 -2.219 1.00 0.00 N ATOM 0 H ARG A 80 -17.103 -3.339 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 80 -16.224 -5.468 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.215 -5.259 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -17.095 -6.703 -4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -19.099 -4.418 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -19.445 -6.103 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.396 -4.927 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -19.904 -5.782 -2.219 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.187 -7.031 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -20.383 -7.251 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.450 -9.013 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.336 -9.280 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.741 -10.150 -2.389 1.00 0.00 H new ATOM 1334 N GLY A 81 -14.134 -3.973 -3.628 1.00 0.00 N ATOM 1335 CA GLY A 81 -12.769 -3.804 -4.206 1.00 0.00 C ATOM 1336 C GLY A 81 -12.108 -5.179 -4.315 1.00 0.00 C ATOM 1337 O GLY A 81 -12.458 -5.976 -5.161 1.00 0.00 O ATOM 0 H GLY A 81 -14.314 -3.444 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.830 -3.335 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.171 -3.146 -3.576 1.00 0.00 H new ATOM 1341 N ARG A 82 -11.155 -5.474 -3.467 1.00 0.00 N ATOM 1342 CA ARG A 82 -10.494 -6.805 -3.543 1.00 0.00 C ATOM 1343 C ARG A 82 -9.594 -7.044 -2.329 1.00 0.00 C ATOM 1344 O ARG A 82 -9.010 -6.131 -1.786 1.00 0.00 O ATOM 1345 CB ARG A 82 -9.648 -6.730 -4.805 1.00 0.00 C ATOM 1346 CG ARG A 82 -10.263 -7.616 -5.889 1.00 0.00 C ATOM 1347 CD ARG A 82 -9.172 -8.061 -6.865 1.00 0.00 C ATOM 1348 NE ARG A 82 -8.668 -6.802 -7.480 1.00 0.00 N ATOM 1349 CZ ARG A 82 -8.672 -6.662 -8.777 1.00 0.00 C ATOM 1350 NH1 ARG A 82 -9.745 -6.232 -9.385 1.00 0.00 N ATOM 1351 NH2 ARG A 82 -7.603 -6.951 -9.468 1.00 0.00 N ATOM 0 H ARG A 82 -10.811 -4.855 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.218 -7.620 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -9.589 -5.699 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.629 -7.053 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.738 -8.486 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -11.041 -7.070 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.374 -8.595 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.571 -8.737 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.320 -6.049 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.581 -6.005 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.747 -6.123 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.764 -7.286 -8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.606 -6.842 -10.482 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.460 -8.275 -1.918 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.576 -8.590 -0.759 1.00 0.00 C ATOM 1367 C LYS A 83 -7.338 -9.330 -1.270 1.00 0.00 C ATOM 1368 O LYS A 83 -7.360 -10.528 -1.471 1.00 0.00 O ATOM 1369 CB LYS A 83 -9.410 -9.495 0.150 1.00 0.00 C ATOM 1370 CG LYS A 83 -10.788 -8.869 0.370 1.00 0.00 C ATOM 1371 CD LYS A 83 -11.868 -9.802 -0.180 1.00 0.00 C ATOM 1372 CE LYS A 83 -12.626 -9.099 -1.308 1.00 0.00 C ATOM 1373 NZ LYS A 83 -14.066 -9.264 -0.966 1.00 0.00 N ATOM 0 H LYS A 83 -9.926 -9.080 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.238 -7.701 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.515 -10.482 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.905 -9.633 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.953 -8.692 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.842 -7.900 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.415 -10.721 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.558 -10.085 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.353 -8.045 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.397 -9.545 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.645 -9.107 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.230 -10.227 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.330 -8.573 -0.235 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.264 -8.626 -1.507 1.00 0.00 N ATOM 1388 CA LEU A 84 -5.042 -9.291 -2.028 1.00 0.00 C ATOM 1389 C LEU A 84 -3.871 -8.311 -2.020 1.00 0.00 C ATOM 1390 O LEU A 84 -3.941 -7.249 -1.434 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.401 -9.688 -3.461 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.563 -10.892 -3.883 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.453 -12.133 -3.964 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -3.938 -10.623 -5.253 1.00 0.00 C ATOM 0 H LEU A 84 -6.183 -7.620 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.742 -10.149 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.462 -9.929 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.221 -8.852 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.774 -11.059 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.853 -12.992 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.898 -12.326 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.243 -11.967 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.339 -11.482 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.727 -10.455 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.302 -9.740 -5.196 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.794 -8.655 -2.668 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.625 -7.738 -2.696 1.00 0.00 C ATOM 1408 C LEU A 85 -0.577 -8.262 -3.692 1.00 0.00 C ATOM 1409 O LEU A 85 -0.697 -9.354 -4.209 1.00 0.00 O ATOM 1410 CB LEU A 85 -1.122 -7.730 -1.244 1.00 0.00 C ATOM 1411 CG LEU A 85 0.154 -8.556 -1.089 1.00 0.00 C ATOM 1412 CD1 LEU A 85 0.764 -8.271 0.283 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.195 -10.044 -1.202 1.00 0.00 C ATOM 0 H LEU A 85 -2.674 -9.530 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.861 -6.728 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.933 -6.704 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.896 -8.127 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 85 0.870 -8.293 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.676 -8.856 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.000 -7.210 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.052 -8.544 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.711 -10.640 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.903 -10.312 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.642 -10.240 -2.177 1.00 0.00 H new ATOM 1425 N ARG A 86 0.445 -7.495 -3.968 1.00 0.00 N ATOM 1426 CA ARG A 86 1.480 -7.967 -4.936 1.00 0.00 C ATOM 1427 C ARG A 86 2.875 -7.485 -4.526 1.00 0.00 C ATOM 1428 O ARG A 86 3.038 -6.738 -3.582 1.00 0.00 O ATOM 1429 CB ARG A 86 1.082 -7.349 -6.278 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.429 -7.480 -6.480 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.755 -7.398 -7.972 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.221 -7.145 -8.032 1.00 0.00 N ATOM 1433 CZ ARG A 86 -2.902 -7.504 -9.086 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -2.849 -8.737 -9.509 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -3.636 -6.628 -9.717 1.00 0.00 N ATOM 0 H ARG A 86 0.608 -6.570 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 86 1.525 -9.055 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.372 -6.299 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.611 -7.848 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.780 -8.428 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.948 -6.689 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.196 -6.596 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.493 -8.323 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.693 -6.691 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.275 -9.421 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.381 -9.017 -10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.677 -5.664 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.169 -6.908 -10.541 1.00 0.00 H new ATOM 1449 N PHE A 87 3.881 -7.910 -5.243 1.00 0.00 N ATOM 1450 CA PHE A 87 5.278 -7.490 -4.925 1.00 0.00 C ATOM 1451 C PHE A 87 6.117 -7.499 -6.202 1.00 0.00 C ATOM 1452 O PHE A 87 6.990 -8.327 -6.365 1.00 0.00 O ATOM 1453 CB PHE A 87 5.820 -8.541 -3.949 1.00 0.00 C ATOM 1454 CG PHE A 87 4.746 -8.962 -2.976 1.00 0.00 C ATOM 1455 CD1 PHE A 87 3.766 -9.883 -3.369 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.732 -8.435 -1.679 1.00 0.00 C ATOM 1457 CE1 PHE A 87 2.775 -10.275 -2.465 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.739 -8.829 -0.777 1.00 0.00 C ATOM 1459 CZ PHE A 87 2.762 -9.748 -1.171 1.00 0.00 C ATOM 0 H PHE A 87 3.794 -8.536 -6.043 1.00 0.00 H new ATOM 0 HA PHE A 87 5.312 -6.487 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.178 -9.409 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.673 -8.135 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.776 -10.290 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.487 -7.725 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.019 -10.985 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.727 -8.423 0.224 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.995 -10.051 -0.473 1.00 0.00 H new ATOM 1469 N ASN A 88 5.877 -6.594 -7.116 1.00 0.00 N ATOM 1470 CA ASN A 88 6.696 -6.596 -8.361 1.00 0.00 C ATOM 1471 C ASN A 88 6.734 -5.215 -8.993 1.00 0.00 C ATOM 1472 O ASN A 88 6.559 -4.211 -8.336 1.00 0.00 O ATOM 1473 CB ASN A 88 6.050 -7.577 -9.341 1.00 0.00 C ATOM 1474 CG ASN A 88 5.282 -8.673 -8.593 1.00 0.00 C ATOM 1475 OD1 ASN A 88 5.842 -9.691 -8.241 1.00 0.00 O ATOM 1476 ND2 ASN A 88 4.014 -8.504 -8.335 1.00 0.00 N ATOM 0 H ASN A 88 5.163 -5.868 -7.056 1.00 0.00 H new ATOM 0 HA ASN A 88 7.719 -6.887 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.372 -7.041 -10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.818 -8.029 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.494 -9.227 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.543 -7.649 -8.630 1.00 0.00 H new ATOM 1483 N GLY A 89 6.982 -5.173 -10.272 1.00 0.00 N ATOM 1484 CA GLY A 89 7.082 -3.872 -10.978 1.00 0.00 C ATOM 1485 C GLY A 89 8.532 -3.418 -10.857 1.00 0.00 C ATOM 1486 O GLY A 89 8.811 -2.328 -10.397 1.00 0.00 O ATOM 0 H GLY A 89 7.121 -5.994 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.795 -3.977 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.409 -3.138 -10.535 1.00 0.00 H new ATOM 1490 N PRO A 90 9.418 -4.304 -11.245 1.00 0.00 N ATOM 1491 CA PRO A 90 10.871 -4.032 -11.143 1.00 0.00 C ATOM 1492 C PRO A 90 11.281 -2.861 -12.039 1.00 0.00 C ATOM 1493 O PRO A 90 10.799 -2.709 -13.144 1.00 0.00 O ATOM 1494 CB PRO A 90 11.517 -5.340 -11.599 1.00 0.00 C ATOM 1495 CG PRO A 90 10.477 -5.990 -12.447 1.00 0.00 C ATOM 1496 CD PRO A 90 9.158 -5.627 -11.825 1.00 0.00 C ATOM 0 HA PRO A 90 11.177 -3.743 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.432 -5.156 -12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.787 -5.968 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.535 -5.637 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.613 -7.071 -12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.359 -5.593 -12.565 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.858 -6.349 -11.065 1.00 0.00 H new ATOM 1504 N VAL A 91 12.168 -2.031 -11.563 1.00 0.00 N ATOM 1505 CA VAL A 91 12.618 -0.868 -12.365 1.00 0.00 C ATOM 1506 C VAL A 91 13.461 -1.336 -13.555 1.00 0.00 C ATOM 1507 O VAL A 91 14.181 -0.518 -14.104 1.00 0.00 O ATOM 1508 CB VAL A 91 13.464 -0.055 -11.391 1.00 0.00 C ATOM 1509 CG1 VAL A 91 12.569 0.515 -10.287 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.530 -0.957 -10.764 1.00 0.00 C ATOM 0 H VAL A 91 12.602 -2.113 -10.644 1.00 0.00 H new ATOM 0 HA VAL A 91 11.790 -0.293 -12.781 1.00 0.00 H new ATOM 0 HB VAL A 91 13.947 0.762 -11.927 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.175 1.096 -9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.809 1.158 -10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.086 -0.303 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.135 -0.376 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.046 -1.775 -10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.169 -1.364 -11.548 1.00 0.00 H new TER 1520 VAL A 91