USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 754 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 97 HIS : no HD1:sc= -0.298 K(o=-1.5,f=-2.5) USER MOD Set 1.2: A 99 TYR OH : rot -177:sc= -1.23 USER MOD Set 2.1: A 83 ASN : amide:sc= -0.278 X(o=-0.12,f=0.13) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0.155 USER MOD Set 3.1: A 75 SER OG : rot 42:sc= 0.948 USER MOD Set 3.2: A 84 TYR OH : rot 38:sc= -2.8! USER MOD Set 4.1: A 14 THR OG1 : rot -71:sc= 0.114 USER MOD Set 4.2: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.314 K(o=-0.31,f=-0.93) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= -2.37 (180deg=-2.68) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.58 K(o=-1.6,f=-7.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= -0.0073 (180deg=-1.23) USER MOD Single : A 28 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.3) USER MOD Single : A 29 THR OG1 : rot -125:sc= -0.617 USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= -0.282 (180deg=-1.44!) USER MOD Single : A 39 ASN : amide:sc= -4.42! C(o=-4.4!,f=-3.9!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -0.0664 (180deg=-1.37!) USER MOD Single : A 49 ASN : amide:sc= -0.169 K(o=-0.17,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc=-0.00651 X(o=-0.0065,f=-0.011) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.72) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 162:sc=-0.00692 (180deg=-0.537) USER MOD Single : A 79 SER OG : rot 180:sc= -0.888 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.128 (180deg=-0.451) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.624 K(o=-0.62,f=-0.094) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 0.604 21.573 -3.210 1.00 0.76 N ATOM 16 CA ASN A 5 0.504 21.172 -1.814 1.00 0.53 C ATOM 17 C ASN A 5 -0.178 19.817 -1.723 1.00 0.49 C ATOM 18 O ASN A 5 -0.265 19.096 -2.718 1.00 0.60 O ATOM 19 CB ASN A 5 -0.275 22.207 -1.000 1.00 0.52 C ATOM 20 CG ASN A 5 0.119 23.629 -1.341 1.00 0.63 C ATOM 21 OD1 ASN A 5 1.182 23.873 -1.912 1.00 1.19 O ATOM 22 ND2 ASN A 5 -0.738 24.580 -0.989 1.00 1.41 N ATOM 0 HA ASN A 5 1.510 21.104 -1.399 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.342 22.076 -1.179 1.00 0.52 H new ATOM 0 HB3 ASN A 5 -0.106 22.031 0.062 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -0.526 25.557 -1.190 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -1.608 24.333 -0.517 1.00 1.41 H new ATOM 29 N LYS A 6 -0.668 19.466 -0.542 1.00 0.45 N ATOM 30 CA LYS A 6 -1.342 18.190 -0.377 1.00 0.49 C ATOM 31 C LYS A 6 -2.829 18.357 -0.119 1.00 0.49 C ATOM 32 O LYS A 6 -3.244 18.945 0.881 1.00 0.56 O ATOM 33 CB LYS A 6 -0.730 17.362 0.756 1.00 0.64 C ATOM 34 CG LYS A 6 -1.456 16.037 1.013 1.00 1.28 C ATOM 35 CD LYS A 6 -2.015 15.403 -0.264 1.00 1.76 C ATOM 36 CE LYS A 6 -2.010 13.886 -0.194 1.00 2.52 C ATOM 37 NZ LYS A 6 -1.981 13.272 -1.551 1.00 3.06 N ATOM 0 H LYS A 6 -0.612 20.037 0.301 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.205 17.660 -1.320 1.00 0.49 H new ATOM 0 HB2 LYS A 6 0.314 17.154 0.519 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -0.738 17.954 1.671 1.00 0.64 H new ATOM 0 HG2 LYS A 6 -0.767 15.338 1.488 1.00 1.28 H new ATOM 0 HG3 LYS A 6 -2.272 16.207 1.715 1.00 1.28 H new ATOM 0 HD2 LYS A 6 -3.033 15.755 -0.428 1.00 1.76 H new ATOM 0 HD3 LYS A 6 -1.423 15.729 -1.120 1.00 1.76 H new ATOM 0 HE2 LYS A 6 -1.143 13.551 0.376 1.00 2.52 H new ATOM 0 HE3 LYS A 6 -2.895 13.543 0.342 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 -1.876 12.241 -1.463 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 -2.868 13.489 -2.049 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 -1.179 13.657 -2.089 1.00 3.06 H new ATOM 51 N ARG A 7 -3.615 17.773 -1.003 1.00 0.50 N ATOM 52 CA ARG A 7 -5.058 17.768 -0.878 1.00 0.52 C ATOM 53 C ARG A 7 -5.510 16.319 -0.842 1.00 0.47 C ATOM 54 O ARG A 7 -5.226 15.554 -1.768 1.00 0.43 O ATOM 55 CB ARG A 7 -5.720 18.510 -2.044 1.00 0.57 C ATOM 56 CG ARG A 7 -5.693 20.023 -1.899 1.00 0.77 C ATOM 57 CD ARG A 7 -4.270 20.557 -1.890 1.00 0.64 C ATOM 58 NE ARG A 7 -4.091 21.650 -2.843 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.705 22.825 -2.740 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.534 23.057 -1.732 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.490 23.766 -3.648 1.00 2.11 N ATOM 0 H ARG A 7 -3.269 17.287 -1.830 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.353 18.285 0.035 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.218 18.234 -2.971 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.755 18.181 -2.132 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.248 20.478 -2.719 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -6.196 20.310 -0.976 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -4.019 20.905 -0.888 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.578 19.750 -2.130 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.460 21.504 -3.631 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.702 22.333 -1.033 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -6.004 23.959 -1.655 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -3.854 23.589 -4.425 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -4.961 24.667 -3.570 1.00 2.11 H new ATOM 75 N ALA A 8 -6.180 15.941 0.247 1.00 0.50 N ATOM 76 CA ALA A 8 -6.647 14.569 0.446 1.00 0.47 C ATOM 77 C ALA A 8 -7.096 13.909 -0.858 1.00 0.44 C ATOM 78 O ALA A 8 -7.999 14.406 -1.532 1.00 0.56 O ATOM 79 CB ALA A 8 -7.779 14.548 1.460 1.00 0.54 C ATOM 0 H ALA A 8 -6.413 16.574 1.012 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.803 13.991 0.823 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -8.121 13.523 1.602 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.424 14.947 2.410 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.605 15.159 1.096 1.00 0.54 H new ATOM 85 N PRO A 9 -6.479 12.772 -1.231 1.00 0.36 N ATOM 86 CA PRO A 9 -6.831 12.057 -2.446 1.00 0.37 C ATOM 87 C PRO A 9 -8.033 11.143 -2.237 1.00 0.37 C ATOM 88 O PRO A 9 -8.009 10.254 -1.385 1.00 0.40 O ATOM 89 CB PRO A 9 -5.576 11.243 -2.771 1.00 0.39 C ATOM 90 CG PRO A 9 -4.778 11.162 -1.502 1.00 0.51 C ATOM 91 CD PRO A 9 -5.403 12.096 -0.493 1.00 0.41 C ATOM 0 HA PRO A 9 -7.120 12.733 -3.251 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.841 10.247 -3.126 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.998 11.721 -3.562 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.771 10.141 -1.122 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.740 11.441 -1.687 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.794 11.549 0.365 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.675 12.811 -0.110 1.00 0.41 H new ATOM 99 N TYR A 10 -9.086 11.370 -3.015 1.00 0.38 N ATOM 100 CA TYR A 10 -10.301 10.571 -2.910 1.00 0.41 C ATOM 101 C TYR A 10 -10.179 9.283 -3.713 1.00 0.38 C ATOM 102 O TYR A 10 -9.988 9.312 -4.929 1.00 0.44 O ATOM 103 CB TYR A 10 -11.509 11.375 -3.395 1.00 0.49 C ATOM 104 CG TYR A 10 -11.923 12.481 -2.450 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.079 13.554 -2.192 1.00 1.90 C ATOM 106 CD2 TYR A 10 -13.159 12.450 -1.816 1.00 2.02 C ATOM 107 CE1 TYR A 10 -11.456 14.565 -1.327 1.00 2.78 C ATOM 108 CE2 TYR A 10 -13.543 13.459 -0.951 1.00 2.96 C ATOM 109 CZ TYR A 10 -12.687 14.514 -0.712 1.00 3.18 C ATOM 110 OH TYR A 10 -13.067 15.517 0.150 1.00 4.20 O ATOM 0 H TYR A 10 -9.122 12.101 -3.725 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.443 10.310 -1.861 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.279 11.808 -4.368 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.351 10.698 -3.539 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -10.114 13.599 -2.674 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -13.831 11.625 -2.001 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.788 15.391 -1.135 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -14.507 13.421 -0.466 1.00 2.96 H new ATOM 0 HH TYR A 10 -13.964 15.328 0.497 1.00 4.20 H new ATOM 120 N TRP A 11 -10.287 8.151 -3.022 1.00 0.47 N ATOM 121 CA TRP A 11 -10.187 6.844 -3.664 1.00 0.49 C ATOM 122 C TRP A 11 -11.034 6.780 -4.932 1.00 0.42 C ATOM 123 O TRP A 11 -12.204 7.162 -4.930 1.00 0.45 O ATOM 124 CB TRP A 11 -10.628 5.747 -2.692 1.00 0.60 C ATOM 125 CG TRP A 11 -11.926 6.052 -2.006 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.089 6.592 -0.763 1.00 1.71 C ATOM 127 CD2 TRP A 11 -13.242 5.832 -2.524 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.426 6.723 -0.477 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.155 6.263 -1.542 1.00 2.17 C ATOM 130 CE3 TRP A 11 -13.739 5.315 -3.723 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.534 6.190 -1.722 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -15.108 5.243 -3.901 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.992 5.679 -2.906 1.00 3.60 C ATOM 0 H TRP A 11 -10.444 8.113 -2.015 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.145 6.688 -3.943 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.724 4.807 -3.235 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.852 5.603 -1.940 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -11.284 6.875 -0.101 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -13.813 7.101 0.388 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -13.066 4.978 -4.497 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.217 6.524 -0.955 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -15.503 4.844 -4.823 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -17.056 5.611 -3.077 1.00 3.60 H new ATOM 144 N THR A 12 -10.435 6.287 -6.010 1.00 0.45 N ATOM 145 CA THR A 12 -11.134 6.168 -7.283 1.00 0.50 C ATOM 146 C THR A 12 -11.506 4.717 -7.566 1.00 0.55 C ATOM 147 O THR A 12 -12.610 4.427 -8.025 1.00 0.64 O ATOM 148 CB THR A 12 -10.280 6.703 -8.448 1.00 0.61 C ATOM 149 OG1 THR A 12 -9.391 7.723 -7.978 1.00 1.28 O ATOM 150 CG2 THR A 12 -11.166 7.264 -9.552 1.00 1.23 C ATOM 0 H THR A 12 -9.468 5.964 -6.027 1.00 0.45 H new ATOM 0 HA THR A 12 -12.041 6.768 -7.205 1.00 0.50 H new ATOM 0 HB THR A 12 -9.698 5.875 -8.854 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.851 8.056 -8.725 1.00 1.28 H new ATOM 0 HG21 THR A 12 -10.543 7.636 -10.365 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.821 6.478 -9.928 1.00 1.23 H new ATOM 0 HG23 THR A 12 -11.770 8.080 -9.155 1.00 1.23 H new ATOM 158 N ASN A 13 -10.581 3.807 -7.275 1.00 0.56 N ATOM 159 CA ASN A 13 -10.814 2.383 -7.485 1.00 0.66 C ATOM 160 C ASN A 13 -11.137 1.689 -6.166 1.00 0.63 C ATOM 161 O ASN A 13 -10.567 2.016 -5.126 1.00 0.58 O ATOM 162 CB ASN A 13 -9.592 1.729 -8.130 1.00 0.73 C ATOM 163 CG ASN A 13 -9.127 2.467 -9.370 1.00 1.35 C ATOM 164 OD1 ASN A 13 -9.246 3.690 -9.462 1.00 2.05 O ATOM 165 ND2 ASN A 13 -8.593 1.727 -10.334 1.00 1.96 N ATOM 0 H ASN A 13 -9.662 4.031 -6.893 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.667 2.276 -8.155 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.778 1.693 -7.406 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.831 0.698 -8.392 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -8.262 2.169 -11.192 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -8.513 0.717 -10.217 1.00 1.96 H new ATOM 172 N THR A 14 -12.045 0.722 -6.216 1.00 0.74 N ATOM 173 CA THR A 14 -12.429 -0.023 -5.023 1.00 0.78 C ATOM 174 C THR A 14 -11.413 -1.120 -4.726 1.00 0.76 C ATOM 175 O THR A 14 -11.107 -1.945 -5.589 1.00 0.78 O ATOM 176 CB THR A 14 -13.828 -0.653 -5.177 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.263 -0.550 -6.538 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.833 0.032 -4.264 1.00 1.15 C ATOM 0 H THR A 14 -12.528 0.436 -7.067 1.00 0.74 H new ATOM 0 HA THR A 14 -12.455 0.684 -4.194 1.00 0.78 H new ATOM 0 HB THR A 14 -13.763 -1.704 -4.895 1.00 0.92 H new ATOM 0 HG1 THR A 14 -14.474 0.385 -6.744 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.812 -0.429 -4.390 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.513 -0.073 -3.227 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.895 1.090 -4.519 1.00 1.15 H new ATOM 186 N GLU A 15 -10.916 -1.152 -3.494 1.00 0.76 N ATOM 187 CA GLU A 15 -9.954 -2.169 -3.091 1.00 0.77 C ATOM 188 C GLU A 15 -10.647 -3.512 -2.860 1.00 0.82 C ATOM 189 O GLU A 15 -9.988 -4.543 -2.728 1.00 0.82 O ATOM 190 CB GLU A 15 -9.229 -1.731 -1.819 1.00 0.79 C ATOM 191 CG GLU A 15 -8.888 -0.250 -1.796 1.00 1.35 C ATOM 192 CD GLU A 15 -9.544 0.484 -0.640 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.596 0.012 -0.160 1.00 2.50 O ATOM 194 OE2 GLU A 15 -9.006 1.529 -0.219 1.00 2.06 O ATOM 0 H GLU A 15 -11.163 -0.488 -2.760 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.227 -2.290 -3.894 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.852 -1.966 -0.956 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.311 -2.309 -1.716 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.807 -0.131 -1.730 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.202 0.206 -2.735 1.00 1.35 H new ATOM 201 N LYS A 16 -11.978 -3.494 -2.826 1.00 0.88 N ATOM 202 CA LYS A 16 -12.748 -4.712 -2.626 1.00 0.95 C ATOM 203 C LYS A 16 -12.715 -5.585 -3.877 1.00 0.98 C ATOM 204 O LYS A 16 -13.138 -6.741 -3.843 1.00 1.01 O ATOM 205 CB LYS A 16 -14.197 -4.381 -2.261 1.00 1.04 C ATOM 206 CG LYS A 16 -14.360 -3.075 -1.504 1.00 1.44 C ATOM 207 CD LYS A 16 -15.430 -3.181 -0.430 1.00 1.61 C ATOM 208 CE LYS A 16 -16.440 -2.051 -0.536 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.800 -2.553 -0.876 1.00 2.83 N ATOM 0 H LYS A 16 -12.541 -2.650 -2.934 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.294 -5.263 -1.802 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.790 -4.336 -3.175 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.603 -5.192 -1.657 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -13.410 -2.798 -1.046 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.621 -2.279 -2.202 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.943 -4.138 -0.520 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -14.962 -3.161 0.554 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -16.479 -1.509 0.409 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -16.114 -1.342 -1.297 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.460 -1.752 -0.939 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -17.769 -3.049 -1.790 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -18.122 -3.210 -0.137 1.00 2.83 H new ATOM 223 N MET A 17 -12.220 -5.033 -4.986 1.00 0.98 N ATOM 224 CA MET A 17 -12.148 -5.781 -6.234 1.00 1.04 C ATOM 225 C MET A 17 -10.805 -6.503 -6.360 1.00 1.03 C ATOM 226 O MET A 17 -10.655 -7.416 -7.172 1.00 1.17 O ATOM 227 CB MET A 17 -12.357 -4.843 -7.424 1.00 1.21 C ATOM 228 CG MET A 17 -13.481 -3.839 -7.213 1.00 1.44 C ATOM 229 SD MET A 17 -15.096 -4.497 -7.672 1.00 1.83 S ATOM 230 CE MET A 17 -16.157 -3.621 -6.525 1.00 2.16 C ATOM 0 H MET A 17 -11.867 -4.078 -5.042 1.00 0.98 H new ATOM 0 HA MET A 17 -12.940 -6.530 -6.230 1.00 1.04 H new ATOM 0 HB2 MET A 17 -11.430 -4.304 -7.619 1.00 1.21 H new ATOM 0 HB3 MET A 17 -12.573 -5.437 -8.312 1.00 1.21 H new ATOM 0 HG2 MET A 17 -13.501 -3.536 -6.166 1.00 1.44 H new ATOM 0 HG3 MET A 17 -13.278 -2.943 -7.800 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.192 -3.922 -6.685 1.00 2.16 H new ATOM 0 HE2 MET A 17 -15.864 -3.860 -5.503 1.00 2.16 H new ATOM 0 HE3 MET A 17 -16.061 -2.548 -6.688 1.00 2.16 H new ATOM 240 N GLU A 18 -9.839 -6.100 -5.538 1.00 0.95 N ATOM 241 CA GLU A 18 -8.520 -6.720 -5.542 1.00 1.06 C ATOM 242 C GLU A 18 -7.894 -6.605 -4.145 1.00 0.96 C ATOM 243 O GLU A 18 -8.266 -7.371 -3.262 1.00 1.57 O ATOM 244 CB GLU A 18 -7.635 -6.086 -6.620 1.00 1.43 C ATOM 245 CG GLU A 18 -7.898 -4.604 -6.834 1.00 1.29 C ATOM 246 CD GLU A 18 -6.806 -3.927 -7.636 1.00 2.13 C ATOM 247 OE1 GLU A 18 -6.205 -4.595 -8.504 1.00 2.88 O ATOM 248 OE2 GLU A 18 -6.551 -2.728 -7.398 1.00 2.56 O ATOM 0 H GLU A 18 -9.947 -5.345 -4.860 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.613 -7.779 -5.784 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -6.589 -6.224 -6.346 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.791 -6.613 -7.561 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -8.851 -4.479 -7.348 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.990 -4.112 -5.866 1.00 1.29 H new ATOM 255 N LYS A 19 -6.957 -5.646 -3.969 1.00 0.84 N ATOM 256 CA LYS A 19 -6.250 -5.379 -2.703 1.00 1.08 C ATOM 257 C LYS A 19 -6.456 -6.459 -1.651 1.00 0.87 C ATOM 258 O LYS A 19 -5.557 -7.257 -1.388 1.00 0.87 O ATOM 259 CB LYS A 19 -6.678 -4.025 -2.143 1.00 1.66 C ATOM 260 CG LYS A 19 -5.514 -3.146 -1.711 1.00 2.57 C ATOM 261 CD LYS A 19 -4.593 -3.876 -0.748 1.00 2.87 C ATOM 262 CE LYS A 19 -3.256 -4.199 -1.395 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.614 -5.388 -0.771 1.00 4.14 N ATOM 0 H LYS A 19 -6.667 -5.023 -4.723 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.186 -5.374 -2.940 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.260 -3.497 -2.898 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.336 -4.187 -1.289 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -4.949 -2.831 -2.588 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.896 -2.242 -1.236 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.431 -3.263 0.138 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.070 -4.798 -0.415 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.402 -4.381 -2.460 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.592 -3.339 -1.307 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -1.581 -5.266 -0.773 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.949 -5.489 0.208 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -2.863 -6.241 -1.312 1.00 4.14 H new ATOM 277 N ARG A 20 -7.641 -6.490 -1.056 1.00 0.98 N ATOM 278 CA ARG A 20 -7.940 -7.484 -0.042 1.00 0.92 C ATOM 279 C ARG A 20 -8.060 -8.878 -0.650 1.00 0.94 C ATOM 280 O ARG A 20 -9.123 -9.498 -0.605 1.00 1.30 O ATOM 281 CB ARG A 20 -9.229 -7.126 0.702 1.00 0.95 C ATOM 282 CG ARG A 20 -10.426 -6.924 -0.214 1.00 1.64 C ATOM 283 CD ARG A 20 -11.728 -7.276 0.487 1.00 2.15 C ATOM 284 NE ARG A 20 -12.498 -8.273 -0.253 1.00 2.67 N ATOM 285 CZ ARG A 20 -12.273 -9.582 -0.182 1.00 3.29 C ATOM 286 NH1 ARG A 20 -11.298 -10.050 0.587 1.00 3.51 N ATOM 287 NH2 ARG A 20 -13.020 -10.424 -0.881 1.00 4.11 N ATOM 0 H ARG A 20 -8.403 -5.843 -1.258 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.112 -7.490 0.666 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.458 -7.917 1.416 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.065 -6.215 1.278 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.460 -5.887 -0.547 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.312 -7.542 -1.105 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.511 -7.654 1.486 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.328 -6.374 0.611 1.00 2.15 H new ATOM 0 HE ARG A 20 -13.251 -7.947 -0.859 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -10.719 -9.405 1.125 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -11.128 -11.054 0.640 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.769 -10.069 -1.475 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -12.846 -11.427 -0.825 1.00 4.11 H new ATOM 348 N VAL A 24 -2.662 -15.099 -2.254 1.00 0.78 N ATOM 349 CA VAL A 24 -1.380 -14.513 -2.633 1.00 0.74 C ATOM 350 C VAL A 24 -0.320 -15.594 -2.828 1.00 0.68 C ATOM 351 O VAL A 24 -0.222 -16.523 -2.029 1.00 0.77 O ATOM 352 CB VAL A 24 -0.884 -13.509 -1.575 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.374 -12.806 -2.056 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.973 -12.500 -1.243 1.00 1.30 C ATOM 0 HA VAL A 24 -1.539 -13.987 -3.574 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.641 -14.058 -0.666 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.710 -12.101 -1.296 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.156 -13.543 -2.238 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.160 -12.269 -2.980 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.604 -11.799 -0.494 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -2.251 -11.954 -2.145 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.846 -13.022 -0.852 1.00 1.30 H new ATOM 364 N PRO A 25 0.494 -15.489 -3.890 1.00 0.61 N ATOM 365 CA PRO A 25 1.550 -16.469 -4.170 1.00 0.63 C ATOM 366 C PRO A 25 2.689 -16.395 -3.158 1.00 0.57 C ATOM 367 O PRO A 25 3.224 -15.320 -2.888 1.00 0.52 O ATOM 368 CB PRO A 25 2.043 -16.072 -5.563 1.00 0.72 C ATOM 369 CG PRO A 25 1.726 -14.621 -5.677 1.00 0.71 C ATOM 370 CD PRO A 25 0.458 -14.411 -4.897 1.00 0.65 C ATOM 0 HA PRO A 25 1.183 -17.494 -4.111 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.112 -16.253 -5.671 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.542 -16.649 -6.340 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.536 -14.012 -5.276 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.595 -14.331 -6.720 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.431 -13.426 -4.431 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.423 -14.486 -5.534 1.00 0.65 H new ATOM 378 N ALA A 26 3.056 -17.545 -2.600 1.00 0.61 N ATOM 379 CA ALA A 26 4.133 -17.611 -1.617 1.00 0.60 C ATOM 380 C ALA A 26 5.490 -17.372 -2.271 1.00 0.54 C ATOM 381 O ALA A 26 5.732 -17.812 -3.394 1.00 0.58 O ATOM 382 CB ALA A 26 4.118 -18.958 -0.908 1.00 0.71 C ATOM 0 H ALA A 26 2.623 -18.444 -2.812 1.00 0.61 H new ATOM 0 HA ALA A 26 3.969 -16.823 -0.882 1.00 0.60 H new ATOM 0 HB1 ALA A 26 4.926 -18.994 -0.178 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.163 -19.091 -0.399 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.254 -19.755 -1.639 1.00 0.71 H new ATOM 388 N ALA A 27 6.370 -16.670 -1.563 1.00 0.50 N ATOM 389 CA ALA A 27 7.701 -16.373 -2.080 1.00 0.48 C ATOM 390 C ALA A 27 7.610 -15.560 -3.367 1.00 0.43 C ATOM 391 O ALA A 27 8.515 -15.590 -4.202 1.00 0.46 O ATOM 392 CB ALA A 27 8.480 -17.659 -2.315 1.00 0.55 C ATOM 0 H ALA A 27 6.186 -16.297 -0.632 1.00 0.50 H new ATOM 0 HA ALA A 27 8.232 -15.778 -1.337 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.471 -17.419 -2.701 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.578 -18.202 -1.375 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.950 -18.279 -3.038 1.00 0.55 H new ATOM 398 N ASN A 28 6.505 -14.840 -3.519 1.00 0.39 N ATOM 399 CA ASN A 28 6.272 -14.016 -4.697 1.00 0.36 C ATOM 400 C ASN A 28 6.044 -12.567 -4.292 1.00 0.30 C ATOM 401 O ASN A 28 5.866 -12.265 -3.112 1.00 0.29 O ATOM 402 CB ASN A 28 5.061 -14.534 -5.474 1.00 0.40 C ATOM 403 CG ASN A 28 5.450 -15.449 -6.618 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.530 -16.041 -6.618 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.567 -15.572 -7.604 1.00 1.36 N ATOM 0 H ASN A 28 5.750 -14.811 -2.834 1.00 0.39 H new ATOM 0 HA ASN A 28 7.153 -14.070 -5.336 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.400 -15.070 -4.793 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.497 -13.688 -5.866 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.773 -16.175 -8.400 1.00 1.36 H new ATOM 0 HD22 ASN A 28 3.684 -15.063 -7.564 1.00 1.36 H new ATOM 412 N THR A 29 6.046 -11.671 -5.272 1.00 0.30 N ATOM 413 CA THR A 29 5.832 -10.258 -4.994 1.00 0.28 C ATOM 414 C THR A 29 4.347 -9.984 -4.796 1.00 0.30 C ATOM 415 O THR A 29 3.501 -10.638 -5.404 1.00 0.33 O ATOM 416 CB THR A 29 6.376 -9.354 -6.119 1.00 0.32 C ATOM 417 OG1 THR A 29 5.368 -9.145 -7.116 1.00 0.96 O ATOM 418 CG2 THR A 29 7.614 -9.962 -6.766 1.00 0.92 C ATOM 0 H THR A 29 6.192 -11.895 -6.256 1.00 0.30 H new ATOM 0 HA THR A 29 6.380 -10.022 -4.082 1.00 0.28 H new ATOM 0 HB THR A 29 6.653 -8.398 -5.674 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.717 -9.405 -7.994 1.00 0.96 H new ATOM 0 HG21 THR A 29 7.974 -9.302 -7.555 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.393 -10.087 -6.014 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.362 -10.933 -7.192 1.00 0.92 H new ATOM 426 N VAL A 30 4.035 -9.032 -3.926 1.00 0.33 N ATOM 427 CA VAL A 30 2.648 -8.696 -3.632 1.00 0.39 C ATOM 428 C VAL A 30 2.227 -7.378 -4.268 1.00 0.35 C ATOM 429 O VAL A 30 2.957 -6.388 -4.226 1.00 0.35 O ATOM 430 CB VAL A 30 2.407 -8.613 -2.114 1.00 0.47 C ATOM 431 CG1 VAL A 30 0.918 -8.545 -1.810 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.051 -9.795 -1.407 1.00 0.57 C ATOM 0 H VAL A 30 4.722 -8.480 -3.413 1.00 0.33 H new ATOM 0 HA VAL A 30 2.045 -9.497 -4.059 1.00 0.39 H new ATOM 0 HB VAL A 30 2.870 -7.699 -1.741 1.00 0.47 H new ATOM 0 HG11 VAL A 30 0.769 -8.487 -0.732 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.490 -7.662 -2.284 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.427 -9.438 -2.196 1.00 0.56 H new ATOM 0 HG21 VAL A 30 2.871 -9.720 -0.335 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.620 -10.723 -1.783 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.125 -9.791 -1.595 1.00 0.57 H new ATOM 442 N LYS A 31 1.029 -7.375 -4.844 1.00 0.34 N ATOM 443 CA LYS A 31 0.485 -6.182 -5.477 1.00 0.33 C ATOM 444 C LYS A 31 -0.258 -5.339 -4.439 1.00 0.33 C ATOM 445 O LYS A 31 -1.235 -5.793 -3.843 1.00 0.38 O ATOM 446 CB LYS A 31 -0.445 -6.576 -6.641 1.00 0.38 C ATOM 447 CG LYS A 31 -1.488 -5.528 -7.017 1.00 0.60 C ATOM 448 CD LYS A 31 -2.881 -5.950 -6.572 1.00 0.82 C ATOM 449 CE LYS A 31 -3.810 -6.161 -7.758 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.140 -6.894 -8.868 1.00 1.98 N ATOM 0 H LYS A 31 0.416 -8.189 -4.885 1.00 0.34 H new ATOM 0 HA LYS A 31 1.300 -5.585 -5.885 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.166 -6.789 -7.518 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.959 -7.500 -6.378 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -1.230 -4.574 -6.557 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -1.480 -5.374 -8.096 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.815 -6.871 -5.993 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -3.299 -5.189 -5.913 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.690 -6.718 -7.435 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -4.160 -5.195 -8.121 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.843 -7.462 -9.383 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.702 -6.212 -9.520 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.407 -7.520 -8.478 1.00 1.98 H new ATOM 464 N PHE A 32 0.212 -4.115 -4.231 1.00 0.31 N ATOM 465 CA PHE A 32 -0.410 -3.216 -3.266 1.00 0.35 C ATOM 466 C PHE A 32 -1.041 -2.026 -3.984 1.00 0.32 C ATOM 467 O PHE A 32 -0.356 -1.271 -4.674 1.00 0.32 O ATOM 468 CB PHE A 32 0.642 -2.737 -2.262 1.00 0.44 C ATOM 469 CG PHE A 32 0.075 -2.033 -1.064 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.442 -2.758 -0.001 1.00 1.21 C ATOM 471 CD2 PHE A 32 0.050 -0.650 -1.003 1.00 1.64 C ATOM 472 CE1 PHE A 32 -0.972 -2.112 1.100 1.00 1.91 C ATOM 473 CE2 PHE A 32 -0.481 -0.001 0.095 1.00 2.28 C ATOM 474 CZ PHE A 32 -0.959 -0.729 1.161 1.00 2.35 C ATOM 0 H PHE A 32 1.019 -3.723 -4.716 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.196 -3.750 -2.731 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.222 -3.595 -1.924 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.334 -2.065 -2.770 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -0.430 -3.837 -0.034 1.00 1.21 H new ATOM 0 HD2 PHE A 32 0.450 -0.072 -1.823 1.00 1.64 H new ATOM 0 HE1 PHE A 32 -1.396 -2.685 1.911 1.00 1.91 H new ATOM 0 HE2 PHE A 32 -0.521 1.078 0.117 1.00 2.28 H new ATOM 0 HZ PHE A 32 -1.323 -0.223 2.043 1.00 2.35 H new ATOM 484 N ARG A 33 -2.355 -1.889 -3.844 1.00 0.36 N ATOM 485 CA ARG A 33 -3.079 -0.813 -4.514 1.00 0.39 C ATOM 486 C ARG A 33 -3.751 0.142 -3.534 1.00 0.40 C ATOM 487 O ARG A 33 -4.373 -0.273 -2.557 1.00 0.43 O ATOM 488 CB ARG A 33 -4.115 -1.408 -5.466 1.00 0.47 C ATOM 489 CG ARG A 33 -3.571 -2.565 -6.281 1.00 0.80 C ATOM 490 CD ARG A 33 -2.408 -2.126 -7.157 1.00 0.53 C ATOM 491 NE ARG A 33 -2.849 -1.318 -8.291 1.00 1.09 N ATOM 492 CZ ARG A 33 -3.292 -1.830 -9.436 1.00 1.56 C ATOM 493 NH1 ARG A 33 -3.355 -3.144 -9.601 1.00 2.10 N ATOM 494 NH2 ARG A 33 -3.674 -1.025 -10.418 1.00 2.12 N ATOM 0 H ARG A 33 -2.938 -2.505 -3.277 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.350 -0.228 -5.074 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.976 -1.748 -4.891 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.470 -0.630 -6.141 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.245 -3.362 -5.612 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.364 -2.977 -6.905 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.700 -1.554 -6.558 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.878 -3.005 -7.523 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.815 -0.303 -8.200 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -3.063 -3.767 -8.848 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -3.695 -3.532 -10.481 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -3.628 -0.013 -10.295 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -4.014 -1.417 -11.296 1.00 2.12 H new ATOM 508 N CYS A 34 -3.626 1.429 -3.835 1.00 0.39 N ATOM 509 CA CYS A 34 -4.218 2.489 -3.027 1.00 0.41 C ATOM 510 C CYS A 34 -4.440 3.734 -3.882 1.00 0.41 C ATOM 511 O CYS A 34 -3.988 4.826 -3.537 1.00 0.47 O ATOM 512 CB CYS A 34 -3.322 2.818 -1.827 1.00 0.44 C ATOM 513 SG CYS A 34 -3.089 1.425 -0.671 1.00 0.94 S ATOM 0 H CYS A 34 -3.111 1.768 -4.647 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.180 2.144 -2.649 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.347 3.141 -2.192 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -3.753 3.659 -1.284 1.00 0.44 H new ATOM 518 N PRO A 35 -5.134 3.579 -5.026 1.00 0.41 N ATOM 519 CA PRO A 35 -5.407 4.687 -5.947 1.00 0.44 C ATOM 520 C PRO A 35 -6.457 5.656 -5.416 1.00 0.34 C ATOM 521 O PRO A 35 -7.538 5.249 -4.994 1.00 0.34 O ATOM 522 CB PRO A 35 -5.920 3.982 -7.203 1.00 0.57 C ATOM 523 CG PRO A 35 -6.525 2.716 -6.701 1.00 0.54 C ATOM 524 CD PRO A 35 -5.697 2.304 -5.516 1.00 0.44 C ATOM 0 HA PRO A 35 -4.521 5.301 -6.111 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.655 4.592 -7.728 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.110 3.784 -7.905 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.566 2.867 -6.416 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.514 1.945 -7.472 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.303 1.814 -4.754 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.913 1.602 -5.799 1.00 0.44 H new ATOM 532 N ALA A 36 -6.128 6.942 -5.449 1.00 0.35 N ATOM 533 CA ALA A 36 -7.036 7.982 -4.980 1.00 0.33 C ATOM 534 C ALA A 36 -6.713 9.319 -5.637 1.00 0.32 C ATOM 535 O ALA A 36 -5.587 9.807 -5.553 1.00 0.38 O ATOM 536 CB ALA A 36 -6.963 8.099 -3.465 1.00 0.40 C ATOM 0 H ALA A 36 -5.235 7.291 -5.797 1.00 0.35 H new ATOM 0 HA ALA A 36 -8.052 7.705 -5.260 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -7.645 8.879 -3.127 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -7.246 7.148 -3.013 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.946 8.354 -3.168 1.00 0.40 H new ATOM 542 N GLY A 37 -7.708 9.907 -6.295 1.00 0.33 N ATOM 543 CA GLY A 37 -7.503 11.181 -6.961 1.00 0.36 C ATOM 544 C GLY A 37 -7.328 12.331 -5.988 1.00 0.35 C ATOM 545 O GLY A 37 -8.155 12.532 -5.099 1.00 0.37 O ATOM 0 H GLY A 37 -8.650 9.525 -6.379 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.622 11.114 -7.600 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.353 11.387 -7.611 1.00 0.36 H new ATOM 549 N GLY A 38 -6.246 13.089 -6.163 1.00 0.36 N ATOM 550 CA GLY A 38 -5.970 14.223 -5.295 1.00 0.39 C ATOM 551 C GLY A 38 -4.830 15.075 -5.820 1.00 0.37 C ATOM 552 O GLY A 38 -4.598 15.126 -7.028 1.00 0.42 O ATOM 0 H GLY A 38 -5.552 12.936 -6.895 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.867 14.835 -5.202 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.724 13.864 -4.296 1.00 0.39 H new ATOM 556 N ASN A 39 -4.109 15.742 -4.921 1.00 0.40 N ATOM 557 CA ASN A 39 -2.983 16.583 -5.331 1.00 0.47 C ATOM 558 C ASN A 39 -1.726 15.740 -5.537 1.00 0.36 C ATOM 559 O ASN A 39 -1.768 14.515 -5.415 1.00 0.34 O ATOM 560 CB ASN A 39 -2.738 17.682 -4.299 1.00 0.70 C ATOM 561 CG ASN A 39 -2.801 19.071 -4.904 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.951 19.919 -4.633 1.00 2.41 O ATOM 563 ND2 ASN A 39 -3.813 19.311 -5.729 1.00 2.89 N ATOM 0 H ASN A 39 -4.280 15.719 -3.916 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.231 17.054 -6.282 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.480 17.601 -3.504 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.761 17.533 -3.840 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -3.908 20.228 -6.166 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -4.495 18.579 -5.926 1.00 2.89 H new ATOM 570 N PRO A 40 -0.591 16.376 -5.882 1.00 0.39 N ATOM 571 CA PRO A 40 0.665 15.672 -6.136 1.00 0.39 C ATOM 572 C PRO A 40 1.534 15.490 -4.892 1.00 0.34 C ATOM 573 O PRO A 40 2.734 15.236 -5.006 1.00 0.40 O ATOM 574 CB PRO A 40 1.352 16.604 -7.122 1.00 0.51 C ATOM 575 CG PRO A 40 0.942 17.969 -6.680 1.00 0.52 C ATOM 576 CD PRO A 40 -0.440 17.831 -6.087 1.00 0.53 C ATOM 0 HA PRO A 40 0.497 14.655 -6.490 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.435 16.485 -7.095 1.00 0.51 H new ATOM 0 HB3 PRO A 40 1.035 16.405 -8.146 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.642 18.365 -5.944 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.936 18.663 -7.520 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.529 18.379 -5.149 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.204 18.222 -6.758 1.00 0.53 H new ATOM 584 N MET A 41 0.942 15.615 -3.708 1.00 0.31 N ATOM 585 CA MET A 41 1.703 15.454 -2.469 1.00 0.33 C ATOM 586 C MET A 41 1.100 14.373 -1.577 1.00 0.32 C ATOM 587 O MET A 41 0.508 14.675 -0.547 1.00 0.36 O ATOM 588 CB MET A 41 1.732 16.774 -1.704 1.00 0.39 C ATOM 589 CG MET A 41 2.737 16.797 -0.563 1.00 0.47 C ATOM 590 SD MET A 41 3.244 18.468 -0.114 1.00 1.30 S ATOM 591 CE MET A 41 4.526 18.772 -1.328 1.00 1.83 C ATOM 0 H MET A 41 -0.048 15.824 -3.578 1.00 0.31 H new ATOM 0 HA MET A 41 2.715 15.153 -2.739 1.00 0.33 H new ATOM 0 HB2 MET A 41 1.965 17.581 -2.398 1.00 0.39 H new ATOM 0 HB3 MET A 41 0.738 16.974 -1.305 1.00 0.39 H new ATOM 0 HG2 MET A 41 2.302 16.307 0.308 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.616 16.219 -0.847 1.00 0.47 H new ATOM 0 HE1 MET A 41 4.939 19.770 -1.179 1.00 1.83 H new ATOM 0 HE2 MET A 41 5.318 18.031 -1.214 1.00 1.83 H new ATOM 0 HE3 MET A 41 4.103 18.700 -2.330 1.00 1.83 H new ATOM 601 N PRO A 42 1.256 13.094 -1.951 1.00 0.32 N ATOM 602 CA PRO A 42 0.731 11.977 -1.184 1.00 0.34 C ATOM 603 C PRO A 42 1.758 11.388 -0.222 1.00 0.35 C ATOM 604 O PRO A 42 2.843 10.979 -0.633 1.00 0.43 O ATOM 605 CB PRO A 42 0.392 10.977 -2.284 1.00 0.40 C ATOM 606 CG PRO A 42 1.393 11.236 -3.373 1.00 0.42 C ATOM 607 CD PRO A 42 1.952 12.625 -3.154 1.00 0.36 C ATOM 0 HA PRO A 42 -0.107 12.259 -0.546 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.462 9.952 -1.920 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.627 11.118 -2.644 1.00 0.40 H new ATOM 0 HG2 PRO A 42 2.190 10.493 -3.346 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.922 11.162 -4.353 1.00 0.42 H new ATOM 0 HD2 PRO A 42 3.032 12.604 -3.009 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.758 13.274 -4.008 1.00 0.36 H new ATOM 615 N THR A 43 1.403 11.332 1.059 1.00 0.32 N ATOM 616 CA THR A 43 2.294 10.776 2.070 1.00 0.35 C ATOM 617 C THR A 43 1.608 9.628 2.795 1.00 0.37 C ATOM 618 O THR A 43 0.745 9.850 3.640 1.00 0.48 O ATOM 619 CB THR A 43 2.720 11.843 3.098 1.00 0.41 C ATOM 620 OG1 THR A 43 2.727 13.138 2.487 1.00 0.94 O ATOM 621 CG2 THR A 43 4.101 11.534 3.657 1.00 1.00 C ATOM 0 H THR A 43 0.508 11.664 1.419 1.00 0.32 H new ATOM 0 HA THR A 43 3.186 10.414 1.559 1.00 0.35 H new ATOM 0 HB THR A 43 2.002 11.833 3.918 1.00 0.41 H new ATOM 0 HG1 THR A 43 2.997 13.810 3.147 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.381 12.300 4.380 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.086 10.561 4.147 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.828 11.520 2.845 1.00 1.00 H new ATOM 629 N MET A 44 1.980 8.400 2.448 1.00 0.35 N ATOM 630 CA MET A 44 1.371 7.223 3.059 1.00 0.41 C ATOM 631 C MET A 44 2.405 6.339 3.747 1.00 0.38 C ATOM 632 O MET A 44 3.567 6.288 3.343 1.00 0.40 O ATOM 633 CB MET A 44 0.628 6.410 1.998 1.00 0.49 C ATOM 634 CG MET A 44 1.542 5.816 0.939 1.00 0.86 C ATOM 635 SD MET A 44 0.768 4.467 0.030 1.00 1.82 S ATOM 636 CE MET A 44 0.910 5.065 -1.652 1.00 2.30 C ATOM 0 H MET A 44 2.696 8.194 1.751 1.00 0.35 H new ATOM 0 HA MET A 44 0.671 7.573 3.818 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.080 5.605 2.487 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.110 7.049 1.513 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.837 6.598 0.239 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.453 5.453 1.414 1.00 0.86 H new ATOM 0 HE1 MET A 44 0.473 4.336 -2.335 1.00 2.30 H new ATOM 0 HE2 MET A 44 0.381 6.014 -1.747 1.00 2.30 H new ATOM 0 HE3 MET A 44 1.962 5.209 -1.899 1.00 2.30 H new ATOM 646 N ARG A 45 1.961 5.634 4.782 1.00 0.36 N ATOM 647 CA ARG A 45 2.824 4.733 5.534 1.00 0.34 C ATOM 648 C ARG A 45 2.422 3.285 5.276 1.00 0.32 C ATOM 649 O ARG A 45 1.235 2.977 5.127 1.00 0.34 O ATOM 650 CB ARG A 45 2.750 5.030 7.038 1.00 0.37 C ATOM 651 CG ARG A 45 2.322 6.452 7.374 1.00 0.66 C ATOM 652 CD ARG A 45 3.281 7.477 6.793 1.00 0.88 C ATOM 653 NE ARG A 45 4.566 7.482 7.487 1.00 1.57 N ATOM 654 CZ ARG A 45 5.596 8.242 7.127 1.00 2.04 C ATOM 655 NH1 ARG A 45 5.489 9.054 6.084 1.00 2.22 N ATOM 656 NH2 ARG A 45 6.732 8.190 7.808 1.00 2.89 N ATOM 0 H ARG A 45 1.000 5.671 5.121 1.00 0.36 H new ATOM 0 HA ARG A 45 3.850 4.889 5.200 1.00 0.34 H new ATOM 0 HB2 ARG A 45 2.051 4.333 7.500 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.727 4.842 7.482 1.00 0.37 H new ATOM 0 HG2 ARG A 45 1.319 6.631 6.987 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.273 6.572 8.456 1.00 0.66 H new ATOM 0 HD2 ARG A 45 3.441 7.265 5.736 1.00 0.88 H new ATOM 0 HD3 ARG A 45 2.832 8.468 6.855 1.00 0.88 H new ATOM 0 HE ARG A 45 4.680 6.868 8.293 1.00 1.57 H new ATOM 0 HH11 ARG A 45 4.616 9.096 5.558 1.00 2.22 H new ATOM 0 HH12 ARG A 45 6.279 9.637 5.808 1.00 2.22 H new ATOM 0 HH21 ARG A 45 6.818 7.566 8.610 1.00 2.89 H new ATOM 0 HH22 ARG A 45 7.521 8.774 7.530 1.00 2.89 H new ATOM 670 N TRP A 46 3.409 2.399 5.222 1.00 0.31 N ATOM 671 CA TRP A 46 3.150 0.986 4.985 1.00 0.31 C ATOM 672 C TRP A 46 3.110 0.218 6.300 1.00 0.26 C ATOM 673 O TRP A 46 4.095 0.182 7.041 1.00 0.29 O ATOM 674 CB TRP A 46 4.221 0.396 4.065 1.00 0.39 C ATOM 675 CG TRP A 46 4.531 1.261 2.880 1.00 0.70 C ATOM 676 CD1 TRP A 46 4.016 1.144 1.622 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.430 2.374 2.845 1.00 1.34 C ATOM 678 NE1 TRP A 46 4.541 2.117 0.805 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.412 2.886 1.533 1.00 1.46 C ATOM 680 CE3 TRP A 46 6.250 2.992 3.795 1.00 2.43 C ATOM 681 CZ2 TRP A 46 6.178 3.982 1.148 1.00 2.14 C ATOM 682 CZ3 TRP A 46 7.012 4.080 3.410 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.971 4.566 2.098 1.00 3.02 C ATOM 0 H TRP A 46 4.395 2.634 5.339 1.00 0.31 H new ATOM 0 HA TRP A 46 2.178 0.894 4.500 1.00 0.31 H new ATOM 0 HB2 TRP A 46 5.134 0.237 4.638 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.890 -0.582 3.715 1.00 0.39 H new ATOM 0 HD1 TRP A 46 3.300 0.396 1.313 1.00 1.52 H new ATOM 0 HE1 TRP A 46 4.319 2.246 -0.182 1.00 1.62 H new ATOM 0 HE3 TRP A 46 6.287 2.626 4.810 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 6.148 4.358 0.136 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.650 4.563 4.135 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.577 5.419 1.830 1.00 3.02 H new ATOM 694 N LEU A 47 1.965 -0.401 6.580 1.00 0.25 N ATOM 695 CA LEU A 47 1.792 -1.172 7.805 1.00 0.26 C ATOM 696 C LEU A 47 1.154 -2.522 7.504 1.00 0.24 C ATOM 697 O LEU A 47 0.073 -2.595 6.921 1.00 0.31 O ATOM 698 CB LEU A 47 0.936 -0.394 8.807 1.00 0.37 C ATOM 699 CG LEU A 47 1.285 -0.634 10.278 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.124 -2.105 10.632 1.00 1.58 C ATOM 701 CD2 LEU A 47 2.699 -0.162 10.572 1.00 1.53 C ATOM 0 H LEU A 47 1.145 -0.383 5.974 1.00 0.25 H new ATOM 0 HA LEU A 47 2.775 -1.345 8.243 1.00 0.26 H new ATOM 0 HB2 LEU A 47 1.033 0.671 8.595 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.110 -0.657 8.650 1.00 0.37 H new ATOM 0 HG LEU A 47 0.596 -0.058 10.895 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.376 -2.256 11.681 1.00 1.58 H new ATOM 0 HD12 LEU A 47 0.092 -2.410 10.459 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.788 -2.704 10.009 1.00 1.58 H new ATOM 0 HD21 LEU A 47 2.931 -0.340 11.622 1.00 1.53 H new ATOM 0 HD22 LEU A 47 3.403 -0.711 9.947 1.00 1.53 H new ATOM 0 HD23 LEU A 47 2.779 0.904 10.358 1.00 1.53 H new ATOM 713 N LYS A 48 1.837 -3.593 7.894 1.00 0.22 N ATOM 714 CA LYS A 48 1.342 -4.944 7.653 1.00 0.25 C ATOM 715 C LYS A 48 1.287 -5.756 8.946 1.00 0.26 C ATOM 716 O LYS A 48 2.317 -6.044 9.556 1.00 0.31 O ATOM 717 CB LYS A 48 2.212 -5.671 6.614 1.00 0.34 C ATOM 718 CG LYS A 48 3.589 -5.055 6.392 1.00 0.41 C ATOM 719 CD LYS A 48 4.166 -5.450 5.043 1.00 0.88 C ATOM 720 CE LYS A 48 4.329 -6.956 4.926 1.00 0.73 C ATOM 721 NZ LYS A 48 5.707 -7.330 4.505 1.00 1.37 N ATOM 0 H LYS A 48 2.734 -3.552 8.378 1.00 0.22 H new ATOM 0 HA LYS A 48 0.329 -4.853 7.261 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.339 -6.707 6.928 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.680 -5.689 5.663 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.517 -3.969 6.454 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.264 -5.376 7.185 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.513 -5.091 4.248 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.133 -4.967 4.904 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.102 -7.422 5.885 1.00 0.73 H new ATOM 0 HE3 LYS A 48 3.610 -7.345 4.205 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 5.659 -8.081 3.787 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 6.185 -6.498 4.104 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.241 -7.673 5.329 1.00 1.37 H new ATOM 735 N ASN A 49 0.076 -6.130 9.346 1.00 0.28 N ATOM 736 CA ASN A 49 -0.131 -6.919 10.557 1.00 0.35 C ATOM 737 C ASN A 49 0.678 -6.379 11.735 1.00 0.39 C ATOM 738 O ASN A 49 1.144 -7.143 12.579 1.00 0.50 O ATOM 739 CB ASN A 49 0.236 -8.383 10.306 1.00 0.38 C ATOM 740 CG ASN A 49 -0.673 -9.343 11.048 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.889 -9.338 10.858 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.086 -10.174 11.903 1.00 1.32 N ATOM 0 H ASN A 49 -0.782 -5.898 8.846 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.188 -6.846 10.815 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.183 -8.590 9.237 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.268 -8.554 10.613 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -0.647 -10.841 12.432 1.00 1.32 H new ATOM 0 HD22 ASN A 49 0.926 -10.144 12.030 1.00 1.32 H new ATOM 749 N GLY A 50 0.837 -5.061 11.792 1.00 0.38 N ATOM 750 CA GLY A 50 1.584 -4.453 12.879 1.00 0.45 C ATOM 751 C GLY A 50 3.031 -4.165 12.520 1.00 0.48 C ATOM 752 O GLY A 50 3.775 -3.608 13.328 1.00 0.68 O ATOM 0 H GLY A 50 0.463 -4.404 11.107 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.096 -3.523 13.171 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.556 -5.114 13.745 1.00 0.45 H new ATOM 756 N LYS A 51 3.433 -4.537 11.309 1.00 0.36 N ATOM 757 CA LYS A 51 4.798 -4.308 10.854 1.00 0.39 C ATOM 758 C LYS A 51 4.858 -3.095 9.930 1.00 0.38 C ATOM 759 O LYS A 51 3.979 -2.889 9.100 1.00 0.39 O ATOM 760 CB LYS A 51 5.337 -5.558 10.139 1.00 0.42 C ATOM 761 CG LYS A 51 6.587 -5.302 9.310 1.00 0.53 C ATOM 762 CD LYS A 51 7.721 -6.247 9.668 1.00 0.75 C ATOM 763 CE LYS A 51 8.658 -6.461 8.488 1.00 0.82 C ATOM 764 NZ LYS A 51 9.696 -7.488 8.783 1.00 1.36 N ATOM 0 H LYS A 51 2.832 -4.998 10.626 1.00 0.36 H new ATOM 0 HA LYS A 51 5.425 -4.107 11.723 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.557 -6.324 10.883 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.558 -5.958 9.490 1.00 0.42 H new ATOM 0 HG2 LYS A 51 6.347 -5.411 8.252 1.00 0.53 H new ATOM 0 HG3 LYS A 51 6.914 -4.273 9.459 1.00 0.53 H new ATOM 0 HD2 LYS A 51 8.281 -5.843 10.511 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.311 -7.205 9.988 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.080 -6.769 7.617 1.00 0.82 H new ATOM 0 HE3 LYS A 51 9.142 -5.518 8.233 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.314 -7.605 7.955 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 10.264 -7.183 9.599 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.235 -8.394 9.002 1.00 1.36 H new ATOM 778 N GLU A 52 5.926 -2.322 10.061 1.00 0.38 N ATOM 779 CA GLU A 52 6.132 -1.152 9.221 1.00 0.39 C ATOM 780 C GLU A 52 7.267 -1.434 8.248 1.00 0.43 C ATOM 781 O GLU A 52 8.218 -2.134 8.592 1.00 0.49 O ATOM 782 CB GLU A 52 6.452 0.077 10.072 1.00 0.44 C ATOM 783 CG GLU A 52 7.814 0.014 10.743 1.00 1.03 C ATOM 784 CD GLU A 52 7.716 -0.151 12.246 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.700 -0.706 12.718 1.00 1.90 O ATOM 786 OE2 GLU A 52 8.652 0.275 12.954 1.00 1.71 O ATOM 0 H GLU A 52 6.666 -2.485 10.744 1.00 0.38 H new ATOM 0 HA GLU A 52 5.218 -0.943 8.665 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.407 0.966 9.443 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.684 0.189 10.837 1.00 0.44 H new ATOM 0 HG2 GLU A 52 8.382 -0.818 10.326 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.369 0.924 10.517 1.00 1.03 H new ATOM 793 N PHE A 53 7.173 -0.900 7.037 1.00 0.43 N ATOM 794 CA PHE A 53 8.211 -1.127 6.036 1.00 0.50 C ATOM 795 C PHE A 53 8.544 0.155 5.281 1.00 0.56 C ATOM 796 O PHE A 53 7.655 0.834 4.768 1.00 0.70 O ATOM 797 CB PHE A 53 7.767 -2.214 5.053 1.00 0.57 C ATOM 798 CG PHE A 53 8.674 -3.416 5.012 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.337 -3.850 6.150 1.00 2.42 C ATOM 800 CD2 PHE A 53 8.858 -4.113 3.830 1.00 1.99 C ATOM 801 CE1 PHE A 53 10.164 -4.956 6.107 1.00 3.55 C ATOM 802 CE2 PHE A 53 9.685 -5.219 3.782 1.00 3.14 C ATOM 803 CZ PHE A 53 10.339 -5.641 4.922 1.00 3.85 C ATOM 0 H PHE A 53 6.399 -0.313 6.725 1.00 0.43 H new ATOM 0 HA PHE A 53 9.111 -1.457 6.555 1.00 0.50 H new ATOM 0 HB2 PHE A 53 6.762 -2.540 5.319 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.708 -1.783 4.054 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.205 -3.318 7.080 1.00 2.42 H new ATOM 0 HD2 PHE A 53 8.349 -3.788 2.935 1.00 1.99 H new ATOM 0 HE1 PHE A 53 10.673 -5.284 7.001 1.00 3.55 H new ATOM 0 HE2 PHE A 53 9.820 -5.753 2.853 1.00 3.14 H new ATOM 0 HZ PHE A 53 10.986 -6.505 4.887 1.00 3.85 H new ATOM 813 N LYS A 54 9.834 0.471 5.208 1.00 0.64 N ATOM 814 CA LYS A 54 10.290 1.662 4.506 1.00 0.77 C ATOM 815 C LYS A 54 10.463 1.372 3.018 1.00 1.29 C ATOM 816 O LYS A 54 10.897 0.286 2.633 1.00 1.12 O ATOM 817 CB LYS A 54 11.615 2.154 5.097 1.00 0.86 C ATOM 818 CG LYS A 54 11.457 3.323 6.057 1.00 1.43 C ATOM 819 CD LYS A 54 10.662 2.928 7.291 1.00 1.82 C ATOM 820 CE LYS A 54 11.415 3.262 8.570 1.00 2.44 C ATOM 821 NZ LYS A 54 10.876 2.516 9.742 1.00 3.19 N ATOM 0 H LYS A 54 10.581 -0.083 5.627 1.00 0.64 H new ATOM 0 HA LYS A 54 9.537 2.440 4.627 1.00 0.77 H new ATOM 0 HB2 LYS A 54 12.099 1.329 5.619 1.00 0.86 H new ATOM 0 HB3 LYS A 54 12.278 2.449 4.284 1.00 0.86 H new ATOM 0 HG2 LYS A 54 12.441 3.684 6.357 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.956 4.147 5.549 1.00 1.43 H new ATOM 0 HD2 LYS A 54 9.702 3.444 7.287 1.00 1.82 H new ATOM 0 HD3 LYS A 54 10.449 1.859 7.261 1.00 1.82 H new ATOM 0 HE2 LYS A 54 12.471 3.024 8.442 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.350 4.333 8.760 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 11.415 2.771 10.594 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 9.875 2.762 9.880 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 10.961 1.494 9.572 1.00 3.19 H new ATOM 885 N ARG A 58 13.122 -3.260 1.433 1.00 1.00 N ATOM 886 CA ARG A 58 12.127 -4.300 1.192 1.00 0.92 C ATOM 887 C ARG A 58 12.811 -5.606 0.808 1.00 0.69 C ATOM 888 O ARG A 58 13.882 -5.602 0.200 1.00 0.78 O ATOM 889 CB ARG A 58 11.150 -3.870 0.096 1.00 1.23 C ATOM 890 CG ARG A 58 9.693 -4.105 0.462 1.00 1.36 C ATOM 891 CD ARG A 58 8.819 -2.932 0.049 1.00 1.75 C ATOM 892 NE ARG A 58 8.677 -1.948 1.120 1.00 2.44 N ATOM 893 CZ ARG A 58 8.100 -0.762 0.957 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.622 -0.413 -0.229 1.00 3.53 N ATOM 895 NH2 ARG A 58 8.004 0.076 1.980 1.00 3.98 N ATOM 0 HA ARG A 58 11.563 -4.456 2.112 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.297 -2.811 -0.117 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.380 -4.415 -0.820 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.337 -5.014 -0.023 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.608 -4.263 1.537 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.250 -2.451 -0.829 1.00 1.75 H new ATOM 0 HD3 ARG A 58 7.834 -3.298 -0.239 1.00 1.75 H new ATOM 0 HE ARG A 58 9.041 -2.184 2.043 1.00 2.44 H new ATOM 0 HH11 ARG A 58 7.697 -1.055 -1.018 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.179 0.498 -0.353 1.00 3.53 H new ATOM 0 HH21 ARG A 58 8.373 -0.189 2.893 1.00 3.98 H new ATOM 0 HH22 ARG A 58 7.561 0.986 1.854 1.00 3.98 H new ATOM 909 N ILE A 59 12.189 -6.726 1.162 1.00 0.67 N ATOM 910 CA ILE A 59 12.752 -8.034 0.853 1.00 0.66 C ATOM 911 C ILE A 59 12.647 -8.350 -0.632 1.00 0.59 C ATOM 912 O ILE A 59 11.627 -8.852 -1.101 1.00 0.57 O ATOM 913 CB ILE A 59 12.060 -9.152 1.653 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.907 -8.746 3.118 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.848 -10.448 1.534 1.00 1.16 C ATOM 916 CD1 ILE A 59 13.221 -8.437 3.801 1.00 1.64 C ATOM 0 H ILE A 59 11.300 -6.754 1.660 1.00 0.67 H new ATOM 0 HA ILE A 59 13.804 -7.992 1.136 1.00 0.66 H new ATOM 0 HB ILE A 59 11.065 -9.313 1.239 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.261 -7.870 3.178 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.406 -9.549 3.659 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.348 -11.231 2.104 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.907 -10.743 0.486 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.854 -10.299 1.926 1.00 1.16 H new ATOM 0 HD11 ILE A 59 13.035 -8.156 4.838 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.862 -9.318 3.773 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.714 -7.613 3.285 1.00 1.64 H new ATOM 928 N GLY A 60 13.716 -8.065 -1.365 1.00 0.70 N ATOM 929 CA GLY A 60 13.727 -8.337 -2.786 1.00 0.77 C ATOM 930 C GLY A 60 13.675 -7.079 -3.628 1.00 0.74 C ATOM 931 O GLY A 60 13.910 -7.130 -4.835 1.00 0.79 O ATOM 0 H GLY A 60 14.574 -7.651 -1.000 1.00 0.70 H new ATOM 0 HA2 GLY A 60 14.627 -8.899 -3.036 1.00 0.77 H new ATOM 0 HA3 GLY A 60 12.876 -8.971 -3.036 1.00 0.77 H new ATOM 935 N GLY A 61 13.366 -5.944 -3.004 1.00 0.70 N ATOM 936 CA GLY A 61 13.293 -4.696 -3.744 1.00 0.72 C ATOM 937 C GLY A 61 11.932 -4.035 -3.625 1.00 0.74 C ATOM 938 O GLY A 61 11.008 -4.609 -3.050 1.00 1.20 O ATOM 0 H GLY A 61 13.166 -5.867 -2.007 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.059 -4.013 -3.377 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.512 -4.886 -4.795 1.00 0.72 H new ATOM 942 N TYR A 62 11.806 -2.828 -4.168 1.00 0.69 N ATOM 943 CA TYR A 62 10.543 -2.097 -4.112 1.00 0.84 C ATOM 944 C TYR A 62 10.294 -1.326 -5.408 1.00 0.73 C ATOM 945 O TYR A 62 11.234 -0.950 -6.110 1.00 0.97 O ATOM 946 CB TYR A 62 10.533 -1.138 -2.915 1.00 1.36 C ATOM 947 CG TYR A 62 11.328 0.134 -3.135 1.00 1.92 C ATOM 948 CD1 TYR A 62 12.710 0.146 -2.993 1.00 2.32 C ATOM 949 CD2 TYR A 62 10.695 1.319 -3.489 1.00 2.43 C ATOM 950 CE1 TYR A 62 13.439 1.302 -3.195 1.00 3.05 C ATOM 951 CE2 TYR A 62 11.415 2.480 -3.694 1.00 3.07 C ATOM 952 CZ TYR A 62 12.787 2.467 -3.547 1.00 3.35 C ATOM 953 OH TYR A 62 13.509 3.620 -3.751 1.00 4.10 O ATOM 0 H TYR A 62 12.559 -2.337 -4.650 1.00 0.69 H new ATOM 0 HA TYR A 62 9.740 -2.824 -3.990 1.00 0.84 H new ATOM 0 HB2 TYR A 62 9.501 -0.874 -2.684 1.00 1.36 H new ATOM 0 HB3 TYR A 62 10.932 -1.657 -2.044 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.223 -0.764 -2.720 1.00 2.32 H new ATOM 0 HD2 TYR A 62 9.621 1.333 -3.606 1.00 2.43 H new ATOM 0 HE1 TYR A 62 14.513 1.294 -3.078 1.00 3.05 H new ATOM 0 HE2 TYR A 62 10.907 3.393 -3.968 1.00 3.07 H new ATOM 0 HH TYR A 62 12.900 4.349 -3.994 1.00 4.10 H new ATOM 963 N LYS A 63 9.023 -1.087 -5.711 1.00 0.66 N ATOM 964 CA LYS A 63 8.647 -0.353 -6.915 1.00 0.78 C ATOM 965 C LYS A 63 7.324 0.379 -6.707 1.00 0.67 C ATOM 966 O LYS A 63 6.384 -0.170 -6.131 1.00 0.54 O ATOM 967 CB LYS A 63 8.544 -1.301 -8.110 1.00 1.11 C ATOM 968 CG LYS A 63 9.542 -0.998 -9.215 1.00 1.28 C ATOM 969 CD LYS A 63 9.463 0.454 -9.655 1.00 1.83 C ATOM 970 CE LYS A 63 10.706 1.227 -9.245 1.00 2.36 C ATOM 971 NZ LYS A 63 10.998 2.347 -10.183 1.00 3.18 N ATOM 0 H LYS A 63 8.235 -1.391 -5.139 1.00 0.66 H new ATOM 0 HA LYS A 63 9.423 0.385 -7.121 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.696 -2.324 -7.766 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.535 -1.248 -8.519 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.551 -1.219 -8.866 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.350 -1.649 -10.068 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.344 0.502 -10.737 1.00 1.83 H new ATOM 0 HD3 LYS A 63 8.581 0.921 -9.216 1.00 1.83 H new ATOM 0 HE2 LYS A 63 10.572 1.622 -8.238 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.560 0.550 -9.211 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 11.853 2.849 -9.869 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 11.151 1.968 -11.139 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 10.194 3.007 -10.197 1.00 3.18 H new ATOM 985 N VAL A 64 7.258 1.618 -7.180 1.00 0.81 N ATOM 986 CA VAL A 64 6.050 2.422 -7.049 1.00 0.77 C ATOM 987 C VAL A 64 5.759 3.192 -8.335 1.00 0.82 C ATOM 988 O VAL A 64 6.667 3.745 -8.955 1.00 0.89 O ATOM 989 CB VAL A 64 6.164 3.418 -5.877 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.371 4.328 -6.060 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.887 4.233 -5.743 1.00 1.71 C ATOM 0 H VAL A 64 8.027 2.087 -7.658 1.00 0.81 H new ATOM 0 HA VAL A 64 5.229 1.733 -6.851 1.00 0.77 H new ATOM 0 HB VAL A 64 6.304 2.851 -4.957 1.00 0.85 H new ATOM 0 HG11 VAL A 64 7.433 5.023 -5.223 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.278 3.725 -6.099 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.267 4.888 -6.989 1.00 1.49 H new ATOM 0 HG21 VAL A 64 4.986 4.930 -4.911 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.712 4.789 -6.664 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.046 3.564 -5.558 1.00 1.71 H new ATOM 1001 N ARG A 65 4.491 3.220 -8.738 1.00 0.82 N ATOM 1002 CA ARG A 65 4.098 3.918 -9.957 1.00 0.92 C ATOM 1003 C ARG A 65 3.961 5.416 -9.710 1.00 1.03 C ATOM 1004 O ARG A 65 3.103 5.854 -8.945 1.00 1.18 O ATOM 1005 CB ARG A 65 2.780 3.355 -10.493 1.00 0.96 C ATOM 1006 CG ARG A 65 2.297 4.045 -11.760 1.00 1.51 C ATOM 1007 CD ARG A 65 2.119 3.056 -12.901 1.00 2.02 C ATOM 1008 NE ARG A 65 1.242 3.578 -13.946 1.00 2.60 N ATOM 1009 CZ ARG A 65 1.587 4.560 -14.774 1.00 3.22 C ATOM 1010 NH1 ARG A 65 2.781 5.127 -14.674 1.00 3.52 N ATOM 1011 NH2 ARG A 65 0.736 4.976 -15.703 1.00 3.99 N ATOM 0 H ARG A 65 3.723 2.770 -8.241 1.00 0.82 H new ATOM 0 HA ARG A 65 4.880 3.762 -10.700 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.903 2.291 -10.693 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.014 3.448 -9.723 1.00 0.96 H new ATOM 0 HG2 ARG A 65 1.351 4.549 -11.563 1.00 1.51 H new ATOM 0 HG3 ARG A 65 3.012 4.814 -12.052 1.00 1.51 H new ATOM 0 HD2 ARG A 65 3.092 2.818 -13.330 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.706 2.125 -12.513 1.00 2.02 H new ATOM 0 HE ARG A 65 0.314 3.167 -14.046 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.438 4.810 -13.961 1.00 3.52 H new ATOM 0 HH12 ARG A 65 3.043 5.880 -15.310 1.00 3.52 H new ATOM 0 HH21 ARG A 65 -0.184 4.543 -15.783 1.00 3.99 H new ATOM 0 HH22 ARG A 65 1.002 5.729 -16.337 1.00 3.99 H new ATOM 1025 N ASN A 66 4.814 6.195 -10.369 1.00 1.03 N ATOM 1026 CA ASN A 66 4.791 7.646 -10.231 1.00 1.16 C ATOM 1027 C ASN A 66 5.013 8.071 -8.783 1.00 1.03 C ATOM 1028 O ASN A 66 6.125 8.430 -8.394 1.00 1.79 O ATOM 1029 CB ASN A 66 3.459 8.207 -10.733 1.00 1.96 C ATOM 1030 CG ASN A 66 3.417 8.337 -12.242 1.00 2.83 C ATOM 1031 OD1 ASN A 66 4.193 9.086 -12.834 1.00 3.41 O ATOM 1032 ND2 ASN A 66 2.505 7.608 -12.875 1.00 3.48 N ATOM 0 H ASN A 66 5.530 5.844 -11.005 1.00 1.03 H new ATOM 0 HA ASN A 66 5.605 8.048 -10.835 1.00 1.16 H new ATOM 0 HB2 ASN A 66 2.648 7.557 -10.405 1.00 1.96 H new ATOM 0 HB3 ASN A 66 3.287 9.184 -10.282 1.00 1.96 H new ATOM 0 HD21 ASN A 66 2.429 7.657 -13.891 1.00 3.48 H new ATOM 0 HD22 ASN A 66 1.881 7.000 -12.345 1.00 3.48 H new ATOM 1039 N GLN A 67 3.946 8.036 -7.990 1.00 1.15 N ATOM 1040 CA GLN A 67 4.024 8.430 -6.586 1.00 1.99 C ATOM 1041 C GLN A 67 2.812 7.937 -5.795 1.00 1.73 C ATOM 1042 O GLN A 67 2.942 7.525 -4.643 1.00 2.55 O ATOM 1043 CB GLN A 67 4.128 9.952 -6.473 1.00 2.86 C ATOM 1044 CG GLN A 67 5.287 10.423 -5.609 1.00 3.88 C ATOM 1045 CD GLN A 67 5.905 11.711 -6.116 1.00 4.69 C ATOM 1046 OE1 GLN A 67 7.028 11.718 -6.618 1.00 5.12 O ATOM 1047 NE2 GLN A 67 5.171 12.811 -5.987 1.00 5.31 N ATOM 0 H GLN A 67 3.019 7.740 -8.294 1.00 1.15 H new ATOM 0 HA GLN A 67 4.916 7.969 -6.162 1.00 1.99 H new ATOM 0 HB2 GLN A 67 4.236 10.375 -7.472 1.00 2.86 H new ATOM 0 HB3 GLN A 67 3.197 10.341 -6.060 1.00 2.86 H new ATOM 0 HG2 GLN A 67 4.938 10.569 -4.587 1.00 3.88 H new ATOM 0 HG3 GLN A 67 6.051 9.646 -5.577 1.00 3.88 H new ATOM 0 HE21 GLN A 67 4.244 12.759 -5.564 1.00 5.31 H new ATOM 0 HE22 GLN A 67 5.534 13.707 -6.311 1.00 5.31 H new ATOM 1056 N HIS A 68 1.634 7.986 -6.412 1.00 0.89 N ATOM 1057 CA HIS A 68 0.409 7.548 -5.751 1.00 0.62 C ATOM 1058 C HIS A 68 -0.524 6.842 -6.731 1.00 0.68 C ATOM 1059 O HIS A 68 -1.024 7.449 -7.678 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.306 8.741 -5.108 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.977 9.648 -6.092 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -0.292 10.331 -7.076 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -2.281 9.982 -6.242 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -1.145 11.047 -7.787 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.358 10.853 -7.301 1.00 2.83 N ATOM 0 H HIS A 68 1.503 8.324 -7.366 1.00 0.89 H new ATOM 0 HA HIS A 68 0.684 6.837 -4.972 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.051 8.369 -4.404 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.417 9.318 -4.531 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -3.106 9.629 -5.641 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -0.893 11.683 -8.623 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -3.214 11.281 -7.655 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.753 5.554 -6.490 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.626 4.745 -7.338 1.00 0.45 C ATOM 1076 C TRP A 69 -1.439 3.265 -7.025 1.00 0.37 C ATOM 1077 O TRP A 69 -2.272 2.649 -6.362 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.336 5.002 -8.823 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.393 5.816 -9.512 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.695 5.969 -9.128 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.233 6.585 -10.709 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.353 6.788 -10.014 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.477 7.179 -10.994 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -1.159 6.831 -11.570 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.676 8.002 -12.099 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -1.358 7.648 -12.668 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.607 8.225 -12.924 1.00 3.14 C ATOM 0 H TRP A 69 -0.343 5.044 -5.708 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.658 5.029 -7.131 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.378 5.515 -8.914 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.235 4.045 -9.335 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.142 5.513 -8.257 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.334 7.061 -9.953 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.191 6.391 -11.381 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.639 8.448 -12.298 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.535 7.844 -13.340 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.730 8.859 -13.790 1.00 3.14 H new ATOM 1098 N SER A 70 -0.330 2.707 -7.498 1.00 0.35 N ATOM 1099 CA SER A 70 -0.019 1.303 -7.261 1.00 0.33 C ATOM 1100 C SER A 70 1.456 1.141 -6.906 1.00 0.36 C ATOM 1101 O SER A 70 2.306 1.888 -7.389 1.00 0.39 O ATOM 1102 CB SER A 70 -0.354 0.462 -8.495 1.00 0.40 C ATOM 1103 OG SER A 70 0.676 0.544 -9.464 1.00 1.02 O ATOM 0 H SER A 70 0.369 3.206 -8.048 1.00 0.35 H new ATOM 0 HA SER A 70 -0.626 0.954 -6.425 1.00 0.33 H new ATOM 0 HB2 SER A 70 -0.499 -0.578 -8.202 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.293 0.805 -8.929 1.00 0.40 H new ATOM 0 HG SER A 70 0.438 -0.003 -10.241 1.00 1.02 H new ATOM 1109 N LEU A 71 1.756 0.152 -6.072 1.00 0.38 N ATOM 1110 CA LEU A 71 3.131 -0.121 -5.672 1.00 0.44 C ATOM 1111 C LEU A 71 3.352 -1.624 -5.545 1.00 0.44 C ATOM 1112 O LEU A 71 2.490 -2.341 -5.035 1.00 0.52 O ATOM 1113 CB LEU A 71 3.458 0.579 -4.350 1.00 0.51 C ATOM 1114 CG LEU A 71 2.374 0.479 -3.277 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.994 0.156 -1.924 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.575 1.769 -3.203 1.00 0.80 C ATOM 0 H LEU A 71 1.065 -0.474 -5.659 1.00 0.38 H new ATOM 0 HA LEU A 71 3.799 0.269 -6.440 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.381 0.157 -3.952 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.650 1.633 -4.553 1.00 0.51 H new ATOM 0 HG LEU A 71 1.695 -0.329 -3.548 1.00 0.63 H new ATOM 0 HD11 LEU A 71 2.209 0.088 -1.171 1.00 0.98 H new ATOM 0 HD12 LEU A 71 3.523 -0.795 -1.984 1.00 0.98 H new ATOM 0 HD13 LEU A 71 3.695 0.944 -1.648 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.808 1.678 -2.434 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.241 2.596 -2.956 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.102 1.960 -4.166 1.00 0.80 H new ATOM 1128 N ILE A 72 4.500 -2.102 -6.008 1.00 0.39 N ATOM 1129 CA ILE A 72 4.802 -3.525 -5.935 1.00 0.39 C ATOM 1130 C ILE A 72 5.880 -3.814 -4.896 1.00 0.36 C ATOM 1131 O ILE A 72 6.993 -3.292 -4.975 1.00 0.38 O ATOM 1132 CB ILE A 72 5.248 -4.080 -7.302 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.327 -5.607 -7.257 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.588 -3.486 -7.706 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.589 -6.238 -8.606 1.00 1.12 C ATOM 0 H ILE A 72 5.231 -1.532 -6.434 1.00 0.39 H new ATOM 0 HA ILE A 72 3.880 -4.024 -5.636 1.00 0.39 H new ATOM 0 HB ILE A 72 4.508 -3.795 -8.050 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.118 -5.902 -6.567 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.392 -6.000 -6.857 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.888 -3.889 -8.673 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.499 -2.402 -7.776 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.339 -3.741 -6.958 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.632 -7.322 -8.498 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.786 -5.973 -9.294 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.538 -5.874 -9.000 1.00 1.12 H new ATOM 1147 N MET A 73 5.540 -4.654 -3.921 1.00 0.36 N ATOM 1148 CA MET A 73 6.473 -5.021 -2.861 1.00 0.36 C ATOM 1149 C MET A 73 6.710 -6.527 -2.847 1.00 0.33 C ATOM 1150 O MET A 73 5.785 -7.312 -3.049 1.00 0.43 O ATOM 1151 CB MET A 73 5.938 -4.565 -1.502 1.00 0.43 C ATOM 1152 CG MET A 73 4.494 -4.973 -1.251 1.00 0.83 C ATOM 1153 SD MET A 73 4.065 -4.964 0.500 1.00 1.86 S ATOM 1154 CE MET A 73 4.792 -3.412 1.020 1.00 2.56 C ATOM 0 H MET A 73 4.623 -5.094 -3.844 1.00 0.36 H new ATOM 0 HA MET A 73 7.422 -4.522 -3.056 1.00 0.36 H new ATOM 0 HB2 MET A 73 6.567 -4.981 -0.715 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.018 -3.480 -1.434 1.00 0.43 H new ATOM 0 HG2 MET A 73 3.830 -4.295 -1.787 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.326 -5.971 -1.657 1.00 0.83 H new ATOM 0 HE1 MET A 73 4.354 -3.106 1.970 1.00 2.56 H new ATOM 0 HE2 MET A 73 5.868 -3.536 1.139 1.00 2.56 H new ATOM 0 HE3 MET A 73 4.596 -2.648 0.267 1.00 2.56 H new ATOM 1164 N GLU A 74 7.956 -6.925 -2.612 1.00 0.33 N ATOM 1165 CA GLU A 74 8.313 -8.337 -2.575 1.00 0.31 C ATOM 1166 C GLU A 74 8.512 -8.817 -1.139 1.00 0.31 C ATOM 1167 O GLU A 74 9.369 -8.302 -0.421 1.00 0.37 O ATOM 1168 CB GLU A 74 9.588 -8.578 -3.387 1.00 0.37 C ATOM 1169 CG GLU A 74 10.016 -10.035 -3.434 1.00 0.41 C ATOM 1170 CD GLU A 74 10.897 -10.344 -4.627 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.470 -9.396 -5.204 1.00 1.12 O ATOM 1172 OE2 GLU A 74 11.015 -11.534 -4.987 1.00 1.52 O ATOM 0 H GLU A 74 8.735 -6.289 -2.444 1.00 0.33 H new ATOM 0 HA GLU A 74 7.493 -8.905 -3.014 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.433 -8.221 -4.405 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.397 -7.984 -2.961 1.00 0.37 H new ATOM 0 HG2 GLU A 74 10.552 -10.282 -2.517 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.130 -10.669 -3.467 1.00 0.41 H new ATOM 1179 N SER A 75 7.721 -9.805 -0.725 1.00 0.29 N ATOM 1180 CA SER A 75 7.824 -10.345 0.626 1.00 0.33 C ATOM 1181 C SER A 75 7.869 -11.871 0.606 1.00 0.33 C ATOM 1182 O SER A 75 6.832 -12.530 0.534 1.00 0.38 O ATOM 1183 CB SER A 75 6.643 -9.874 1.477 1.00 0.41 C ATOM 1184 OG SER A 75 5.413 -10.310 0.926 1.00 1.32 O ATOM 0 H SER A 75 7.006 -10.245 -1.304 1.00 0.29 H new ATOM 0 HA SER A 75 8.752 -9.978 1.064 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.747 -10.257 2.492 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.650 -8.786 1.544 1.00 0.41 H new ATOM 0 HG SER A 75 5.502 -11.237 0.620 1.00 1.32 H new ATOM 1190 N VAL A 76 9.077 -12.427 0.678 1.00 0.37 N ATOM 1191 CA VAL A 76 9.252 -13.876 0.674 1.00 0.41 C ATOM 1192 C VAL A 76 9.089 -14.446 2.079 1.00 0.43 C ATOM 1193 O VAL A 76 8.379 -15.429 2.283 1.00 0.46 O ATOM 1194 CB VAL A 76 10.632 -14.280 0.117 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.747 -13.820 1.043 1.00 1.54 C ATOM 1196 CG2 VAL A 76 10.699 -15.784 -0.103 1.00 1.33 C ATOM 0 H VAL A 76 9.946 -11.897 0.740 1.00 0.37 H new ATOM 0 HA VAL A 76 8.480 -14.288 0.024 1.00 0.41 H new ATOM 0 HB VAL A 76 10.769 -13.786 -0.845 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.710 -14.117 0.628 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.713 -12.735 1.142 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.618 -14.278 2.024 1.00 1.54 H new ATOM 0 HG21 VAL A 76 11.680 -16.051 -0.496 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.536 -16.298 0.844 1.00 1.33 H new ATOM 0 HG23 VAL A 76 9.929 -16.082 -0.815 1.00 1.33 H new ATOM 1206 N VAL A 77 9.748 -13.816 3.046 1.00 0.45 N ATOM 1207 CA VAL A 77 9.675 -14.255 4.436 1.00 0.49 C ATOM 1208 C VAL A 77 8.545 -13.549 5.189 1.00 0.45 C ATOM 1209 O VAL A 77 7.792 -14.189 5.922 1.00 0.47 O ATOM 1210 CB VAL A 77 11.004 -14.025 5.180 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.957 -14.656 6.561 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.169 -14.577 4.373 1.00 0.77 C ATOM 0 H VAL A 77 10.339 -12.999 2.893 1.00 0.45 H new ATOM 0 HA VAL A 77 9.470 -15.325 4.409 1.00 0.49 H new ATOM 0 HB VAL A 77 11.152 -12.952 5.301 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.904 -14.484 7.072 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.147 -14.210 7.138 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.786 -15.728 6.465 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.100 -14.406 4.914 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.030 -15.647 4.219 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.213 -14.074 3.407 1.00 0.77 H new ATOM 1222 N PRO A 78 8.397 -12.218 5.017 1.00 0.43 N ATOM 1223 CA PRO A 78 7.337 -11.455 5.688 1.00 0.41 C ATOM 1224 C PRO A 78 5.940 -11.924 5.288 1.00 0.35 C ATOM 1225 O PRO A 78 4.950 -11.554 5.921 1.00 0.34 O ATOM 1226 CB PRO A 78 7.566 -10.012 5.221 1.00 0.42 C ATOM 1227 CG PRO A 78 8.965 -9.984 4.713 1.00 0.48 C ATOM 1228 CD PRO A 78 9.227 -11.356 4.162 1.00 0.46 C ATOM 0 HA PRO A 78 7.383 -11.576 6.770 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.858 -9.734 4.440 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.430 -9.307 6.041 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.086 -9.223 3.942 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.666 -9.743 5.512 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.940 -11.431 3.113 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.282 -11.621 4.224 1.00 0.46 H new ATOM 1236 N SER A 79 5.861 -12.742 4.238 1.00 0.34 N ATOM 1237 CA SER A 79 4.583 -13.255 3.767 1.00 0.34 C ATOM 1238 C SER A 79 3.801 -13.896 4.910 1.00 0.38 C ATOM 1239 O SER A 79 2.576 -14.001 4.851 1.00 0.39 O ATOM 1240 CB SER A 79 4.803 -14.273 2.647 1.00 0.39 C ATOM 1241 OG SER A 79 3.884 -14.073 1.587 1.00 1.13 O ATOM 0 H SER A 79 6.668 -13.061 3.701 1.00 0.34 H new ATOM 0 HA SER A 79 4.002 -12.419 3.379 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.822 -14.188 2.270 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.692 -15.283 3.042 1.00 0.39 H new ATOM 0 HG SER A 79 4.047 -14.735 0.883 1.00 1.13 H new ATOM 1247 N ASP A 80 4.513 -14.319 5.959 1.00 0.43 N ATOM 1248 CA ASP A 80 3.878 -14.941 7.120 1.00 0.50 C ATOM 1249 C ASP A 80 2.629 -14.167 7.535 1.00 0.42 C ATOM 1250 O ASP A 80 1.558 -14.745 7.714 1.00 0.47 O ATOM 1251 CB ASP A 80 4.862 -15.016 8.287 1.00 0.62 C ATOM 1252 CG ASP A 80 5.908 -16.096 8.089 1.00 1.27 C ATOM 1253 OD1 ASP A 80 6.636 -16.039 7.075 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.999 -16.999 8.946 1.00 1.69 O ATOM 0 H ASP A 80 5.528 -14.241 6.026 1.00 0.43 H new ATOM 0 HA ASP A 80 3.580 -15.952 6.844 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.356 -14.052 8.405 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.314 -15.208 9.209 1.00 0.62 H new ATOM 1259 N LYS A 81 2.771 -12.849 7.662 1.00 0.38 N ATOM 1260 CA LYS A 81 1.644 -11.998 8.026 1.00 0.33 C ATOM 1261 C LYS A 81 0.988 -11.454 6.764 1.00 0.26 C ATOM 1262 O LYS A 81 1.588 -10.665 6.035 1.00 0.27 O ATOM 1263 CB LYS A 81 2.097 -10.844 8.926 1.00 0.40 C ATOM 1264 CG LYS A 81 3.470 -10.292 8.582 1.00 0.91 C ATOM 1265 CD LYS A 81 3.816 -9.095 9.452 1.00 1.02 C ATOM 1266 CE LYS A 81 5.203 -8.558 9.139 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.159 -9.645 8.795 1.00 1.23 N ATOM 0 H LYS A 81 3.650 -12.351 7.519 1.00 0.38 H new ATOM 0 HA LYS A 81 0.921 -12.595 8.582 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.366 -10.038 8.861 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.103 -11.185 9.961 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.221 -11.070 8.715 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.495 -10.001 7.532 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.078 -8.308 9.299 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.764 -9.381 10.503 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.140 -7.855 8.309 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.579 -8.003 9.999 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.132 -9.283 8.854 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.042 -10.434 9.462 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 5.972 -9.978 7.828 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.224 -11.918 6.484 1.00 0.24 N ATOM 1282 CA GLY A 82 -0.904 -11.499 5.277 1.00 0.24 C ATOM 1283 C GLY A 82 -1.892 -10.364 5.466 1.00 0.28 C ATOM 1284 O GLY A 82 -2.696 -10.093 4.574 1.00 0.53 O ATOM 0 H GLY A 82 -0.744 -12.573 7.068 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.158 -11.194 4.543 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.432 -12.356 4.858 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.842 -9.667 6.593 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.749 -8.548 6.802 1.00 0.28 C ATOM 1290 C ASN A 83 -2.076 -7.267 6.330 1.00 0.30 C ATOM 1291 O ASN A 83 -1.103 -6.811 6.931 1.00 0.36 O ATOM 1292 CB ASN A 83 -3.134 -8.432 8.278 1.00 0.40 C ATOM 1293 CG ASN A 83 -4.387 -7.602 8.481 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -5.448 -8.134 8.810 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -4.270 -6.295 8.286 1.00 0.96 N ATOM 0 H ASN A 83 -1.197 -9.851 7.362 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.661 -8.715 6.229 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -3.290 -9.429 8.690 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -2.310 -7.983 8.832 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -5.080 -5.687 8.408 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.370 -5.898 8.014 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.581 -6.698 5.242 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.000 -5.482 4.689 1.00 0.40 C ATOM 1304 C TYR A 84 -2.806 -4.255 5.085 1.00 0.35 C ATOM 1305 O TYR A 84 -4.033 -4.241 4.984 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.904 -5.586 3.166 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.854 -6.569 2.701 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.959 -7.922 2.998 1.00 1.96 C ATOM 1309 CD2 TYR A 84 0.239 -6.144 1.954 1.00 1.74 C ATOM 1310 CE1 TYR A 84 -0.005 -8.824 2.567 1.00 2.76 C ATOM 1311 CE2 TYR A 84 1.196 -7.039 1.520 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.084 -8.377 1.859 1.00 2.86 C ATOM 1313 OH TYR A 84 2.021 -9.272 1.395 1.00 3.72 O ATOM 0 H TYR A 84 -3.386 -7.056 4.728 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.997 -5.371 5.101 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.874 -5.884 2.767 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -1.679 -4.602 2.755 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -1.801 -8.275 3.576 1.00 1.96 H new ATOM 0 HD2 TYR A 84 0.341 -5.097 1.709 1.00 1.74 H new ATOM 0 HE1 TYR A 84 -0.115 -9.876 2.786 1.00 2.76 H new ATOM 0 HE2 TYR A 84 2.027 -6.698 0.920 1.00 2.46 H new ATOM 0 HH TYR A 84 1.572 -10.089 1.092 1.00 3.72 H new ATOM 1323 N THR A 85 -2.103 -3.222 5.536 1.00 0.32 N ATOM 1324 CA THR A 85 -2.747 -1.985 5.946 1.00 0.33 C ATOM 1325 C THR A 85 -2.194 -0.797 5.167 1.00 0.29 C ATOM 1326 O THR A 85 -0.995 -0.515 5.208 1.00 0.31 O ATOM 1327 CB THR A 85 -2.566 -1.727 7.453 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.722 -2.948 8.184 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.574 -0.702 7.951 1.00 1.00 C ATOM 0 H THR A 85 -1.087 -3.219 5.626 1.00 0.32 H new ATOM 0 HA THR A 85 -3.810 -2.095 5.732 1.00 0.33 H new ATOM 0 HB THR A 85 -1.561 -1.335 7.612 1.00 0.45 H new ATOM 0 HG1 THR A 85 -2.603 -2.774 9.141 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.427 -0.536 9.018 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.434 0.237 7.415 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.585 -1.071 7.777 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.082 -0.103 4.464 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.696 1.060 3.677 1.00 0.30 C ATOM 1339 C CYS A 86 -3.028 2.337 4.436 1.00 0.30 C ATOM 1340 O CYS A 86 -4.196 2.699 4.578 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.414 1.052 2.324 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.817 2.307 1.142 1.00 0.65 S ATOM 0 H CYS A 86 -4.076 -0.327 4.424 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.621 1.020 3.501 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.303 0.066 1.874 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.480 1.207 2.492 1.00 0.36 H new ATOM 1347 N VAL A 87 -1.997 3.020 4.919 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.193 4.256 5.658 1.00 0.30 C ATOM 1349 C VAL A 87 -1.754 5.449 4.825 1.00 0.31 C ATOM 1350 O VAL A 87 -0.561 5.702 4.670 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.407 4.251 6.982 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -1.692 5.515 7.778 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -1.743 3.010 7.798 1.00 0.97 C ATOM 0 H VAL A 87 -1.022 2.739 4.812 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.257 4.334 5.882 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.342 4.228 6.751 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.128 5.493 8.710 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.396 6.387 7.195 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -2.758 5.572 8.000 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.178 3.024 8.730 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -2.810 2.999 8.020 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.482 2.118 7.228 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.720 6.182 4.286 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.409 7.342 3.470 1.00 0.33 C ATOM 1365 C VAL A 88 -2.628 8.631 4.249 1.00 0.30 C ATOM 1366 O VAL A 88 -3.757 8.973 4.601 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.269 7.375 2.192 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.737 8.408 1.211 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -3.325 5.997 1.551 1.00 1.50 C ATOM 0 H VAL A 88 -3.716 5.994 4.399 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.359 7.262 3.190 1.00 0.33 H new ATOM 0 HB VAL A 88 -4.283 7.664 2.468 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.359 8.414 0.316 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.758 9.394 1.674 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -1.712 8.157 0.938 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.937 6.040 0.650 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.317 5.676 1.290 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -3.762 5.287 2.253 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.537 9.336 4.517 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.603 10.587 5.258 1.00 0.32 C ATOM 1381 C GLU A 89 -1.485 11.780 4.324 1.00 0.31 C ATOM 1382 O GLU A 89 -0.894 11.688 3.243 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.503 10.643 6.320 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.843 11.553 7.488 1.00 0.43 C ATOM 1385 CD GLU A 89 0.068 12.762 7.570 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.238 12.653 7.142 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.385 13.816 8.060 1.00 1.46 O ATOM 0 H GLU A 89 -0.597 9.063 4.232 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.573 10.631 5.753 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.317 9.636 6.694 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.422 10.987 5.857 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -1.876 11.887 7.395 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -0.774 10.987 8.417 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.032 12.908 4.759 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.978 14.139 3.990 1.00 0.36 C ATOM 1396 C ASN A 90 -1.815 15.329 4.931 1.00 0.43 C ATOM 1397 O ASN A 90 -1.913 15.180 6.149 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.241 14.297 3.138 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.481 13.747 3.819 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.652 12.532 3.931 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.355 14.633 4.278 1.00 0.86 N ATOM 0 H ASN A 90 -2.522 12.993 5.650 1.00 0.33 H new ATOM 0 HA ASN A 90 -1.120 14.099 3.319 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.393 15.353 2.914 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.098 13.786 2.186 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.206 14.316 4.744 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -5.177 15.631 4.165 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.585 16.507 4.371 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.431 17.711 5.177 1.00 0.66 C ATOM 1410 C GLU A 91 -2.722 18.032 5.937 1.00 0.68 C ATOM 1411 O GLU A 91 -2.715 18.843 6.863 1.00 0.75 O ATOM 1412 CB GLU A 91 -1.049 18.896 4.286 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.540 20.101 5.063 1.00 1.15 C ATOM 1414 CD GLU A 91 0.872 19.909 5.576 1.00 1.72 C ATOM 1415 OE1 GLU A 91 1.823 20.132 4.798 1.00 2.34 O ATOM 1416 OE2 GLU A 91 1.027 19.536 6.758 1.00 2.24 O ATOM 0 H GLU A 91 -1.501 16.656 3.365 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.637 17.533 5.903 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -0.281 18.577 3.581 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.918 19.193 3.698 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -0.573 20.982 4.422 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -1.205 20.294 5.905 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.831 17.417 5.523 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.125 17.669 6.157 1.00 0.68 C ATOM 1425 C TYR A 92 -5.607 16.496 7.015 1.00 0.60 C ATOM 1426 O TYR A 92 -6.664 16.584 7.639 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.174 17.988 5.092 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.113 19.411 4.586 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.068 20.481 5.473 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -6.101 19.685 3.226 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -6.012 21.784 5.015 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -6.044 20.986 2.760 1.00 2.05 C ATOM 1433 CZ TYR A 92 -5.999 22.029 3.657 1.00 2.19 C ATOM 1434 OH TYR A 92 -5.944 23.326 3.199 1.00 2.77 O ATOM 0 H TYR A 92 -3.859 16.745 4.756 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.989 18.521 6.823 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -6.044 17.307 4.251 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -7.166 17.800 5.504 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -6.077 20.291 6.536 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -6.137 18.869 2.520 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -5.979 22.605 5.716 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -6.035 21.182 1.698 1.00 2.05 H new ATOM 0 HH TYR A 92 -5.941 23.327 2.219 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.849 15.402 7.053 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.267 14.264 7.857 1.00 0.47 C ATOM 1446 C GLY A 93 -4.693 12.940 7.390 1.00 0.40 C ATOM 1447 O GLY A 93 -4.087 12.853 6.323 1.00 0.40 O ATOM 0 H GLY A 93 -3.969 15.283 6.552 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -4.969 14.433 8.892 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.355 14.202 7.844 1.00 0.47 H new ATOM 1451 N SER A 94 -4.894 11.904 8.205 1.00 0.38 N ATOM 1452 CA SER A 94 -4.404 10.564 7.893 1.00 0.34 C ATOM 1453 C SER A 94 -5.514 9.529 8.035 1.00 0.34 C ATOM 1454 O SER A 94 -6.322 9.593 8.961 1.00 0.38 O ATOM 1455 CB SER A 94 -3.231 10.202 8.802 1.00 0.35 C ATOM 1456 OG SER A 94 -3.679 9.562 9.985 1.00 1.04 O ATOM 0 H SER A 94 -5.396 11.970 9.091 1.00 0.38 H new ATOM 0 HA SER A 94 -4.064 10.562 6.857 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.543 9.546 8.269 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.676 11.104 9.061 1.00 0.35 H new ATOM 0 HG SER A 94 -2.909 9.339 10.548 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.555 8.581 7.103 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.574 7.536 7.114 1.00 0.34 C ATOM 1464 C ILE A 95 -5.934 6.147 7.139 1.00 0.31 C ATOM 1465 O ILE A 95 -4.794 5.972 6.710 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.517 7.642 5.894 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.637 9.104 5.425 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.881 7.065 6.243 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.794 9.361 4.481 1.00 0.47 C ATOM 0 H ILE A 95 -4.893 8.515 6.330 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.162 7.680 8.020 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.097 7.064 5.071 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.746 9.746 6.299 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.709 9.393 4.931 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.541 7.143 5.379 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.772 6.017 6.523 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.309 7.621 7.077 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.807 10.414 4.199 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.678 8.748 3.588 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.731 9.107 4.976 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.676 5.167 7.649 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.178 3.793 7.736 1.00 0.34 C ATOM 1483 C ASN A 96 -7.100 2.814 7.008 1.00 0.34 C ATOM 1484 O ASN A 96 -8.322 2.881 7.138 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.029 3.375 9.201 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.470 4.487 10.065 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -4.293 4.481 10.420 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -6.317 5.451 10.409 1.00 1.12 N ATOM 0 H ASN A 96 -7.622 5.296 8.008 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.203 3.764 7.250 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.001 3.070 9.590 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.374 2.506 9.263 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -5.998 6.226 10.990 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.286 5.416 10.092 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.498 1.899 6.250 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.253 0.891 5.507 1.00 0.34 C ATOM 1497 C HIS A 97 -6.612 -0.489 5.643 1.00 0.33 C ATOM 1498 O HIS A 97 -5.395 -0.625 5.532 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.343 1.282 4.030 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.843 2.675 3.809 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.975 3.174 4.418 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -7.357 3.678 3.040 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.165 4.424 4.032 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.199 4.753 3.196 1.00 0.85 N ATOM 0 H HIS A 97 -5.487 1.835 6.134 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.257 0.844 5.928 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.357 1.182 3.576 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -8.003 0.582 3.517 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -6.473 3.640 2.420 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -9.974 5.067 4.347 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -8.094 5.659 2.739 1.00 0.85 H new ATOM 1513 N THR A 98 -7.433 -1.513 5.878 1.00 0.35 N ATOM 1514 CA THR A 98 -6.937 -2.881 6.019 1.00 0.35 C ATOM 1515 C THR A 98 -7.471 -3.784 4.909 1.00 0.35 C ATOM 1516 O THR A 98 -8.597 -3.605 4.444 1.00 0.36 O ATOM 1517 CB THR A 98 -7.326 -3.486 7.381 1.00 0.38 C ATOM 1518 OG1 THR A 98 -6.854 -4.835 7.471 1.00 1.33 O ATOM 1519 CG2 THR A 98 -8.836 -3.462 7.572 1.00 1.36 C ATOM 0 H THR A 98 -8.444 -1.420 5.975 1.00 0.35 H new ATOM 0 HA THR A 98 -5.851 -2.825 5.949 1.00 0.35 H new ATOM 0 HB THR A 98 -6.865 -2.885 8.165 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.104 -5.212 8.341 1.00 1.33 H new ATOM 0 HG21 THR A 98 -9.087 -3.894 8.541 1.00 1.36 H new ATOM 0 HG22 THR A 98 -9.192 -2.432 7.531 1.00 1.36 H new ATOM 0 HG23 THR A 98 -9.312 -4.042 6.781 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.662 -4.756 4.484 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.072 -5.677 3.426 1.00 0.42 C ATOM 1529 C TYR A 99 -6.687 -7.128 3.745 1.00 0.42 C ATOM 1530 O TYR A 99 -5.620 -7.397 4.301 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.483 -5.243 2.085 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.449 -3.742 1.904 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -5.437 -2.974 2.466 1.00 0.85 C ATOM 1534 CD2 TYR A 99 -7.436 -3.093 1.170 1.00 0.73 C ATOM 1535 CE1 TYR A 99 -5.409 -1.603 2.304 1.00 0.96 C ATOM 1536 CE2 TYR A 99 -7.412 -1.722 1.003 1.00 0.81 C ATOM 1537 CZ TYR A 99 -6.398 -0.981 1.571 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.374 0.385 1.407 1.00 0.96 O ATOM 0 H TYR A 99 -5.726 -4.924 4.854 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.159 -5.640 3.362 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.470 -5.636 1.997 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.068 -5.686 1.279 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -4.659 -3.457 3.039 1.00 0.85 H new ATOM 0 HD2 TYR A 99 -8.233 -3.669 0.724 1.00 0.73 H new ATOM 0 HE1 TYR A 99 -4.616 -1.020 2.749 1.00 0.96 H new ATOM 0 HE2 TYR A 99 -8.185 -1.232 0.429 1.00 0.81 H new ATOM 0 HH TYR A 99 -7.167 0.668 0.905 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.596 -8.041 3.409 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.405 -9.471 3.677 1.00 0.44 C ATOM 1550 C HIS A 100 -6.520 -10.158 2.630 1.00 0.42 C ATOM 1551 O HIS A 100 -6.968 -10.488 1.520 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.763 -10.175 3.741 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.690 -9.599 4.768 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.312 -9.358 6.074 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -10.985 -9.213 4.677 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.336 -8.852 6.740 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.360 -8.753 5.914 1.00 1.70 N ATOM 0 H HIS A 100 -8.478 -7.817 2.948 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.893 -9.549 4.636 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.239 -10.118 2.762 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.605 -11.231 3.958 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -11.607 -9.259 3.795 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -10.334 -8.568 7.782 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -12.283 -8.392 6.156 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.262 -10.402 3.018 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.296 -11.073 2.154 1.00 0.45 C ATOM 1568 C LEU A 101 -3.726 -12.317 2.842 1.00 0.48 C ATOM 1569 O LEU A 101 -3.432 -12.302 4.035 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.158 -10.121 1.780 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.341 -9.379 0.457 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -4.084 -8.072 0.681 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -1.994 -9.123 -0.201 1.00 1.63 C ATOM 0 H LEU A 101 -4.892 -10.141 3.932 1.00 0.44 H new ATOM 0 HA LEU A 101 -4.814 -11.381 1.245 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -3.043 -9.387 2.577 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.230 -10.690 1.734 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.935 -10.003 -0.211 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -4.206 -7.555 -0.271 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -5.064 -8.280 1.110 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -3.515 -7.442 1.365 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -2.144 -8.594 -1.142 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -1.375 -8.518 0.461 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -1.497 -10.074 -0.394 1.00 1.63 H new ATOM 1585 N ASP A 102 -3.595 -13.396 2.087 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.075 -14.648 2.632 1.00 0.57 C ATOM 1587 C ASP A 102 -2.086 -15.309 1.680 1.00 0.54 C ATOM 1588 O ASP A 102 -2.190 -15.169 0.461 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.222 -15.611 2.950 1.00 0.65 C ATOM 1590 CG ASP A 102 -4.078 -16.252 4.318 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -3.015 -16.073 4.947 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -5.028 -16.933 4.758 1.00 1.38 O ATOM 0 H ASP A 102 -3.840 -13.434 1.098 1.00 0.50 H new ATOM 0 HA ASP A 102 -2.544 -14.408 3.553 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.168 -15.073 2.902 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.260 -16.390 2.189 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.127 -16.034 2.249 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.114 -16.724 1.463 1.00 0.68 C ATOM 1599 C VAL A 103 -0.625 -18.078 0.981 1.00 0.66 C ATOM 1600 O VAL A 103 -1.181 -18.853 1.758 1.00 0.75 O ATOM 1601 CB VAL A 103 1.177 -16.937 2.275 1.00 0.89 C ATOM 1602 CG1 VAL A 103 2.261 -17.555 1.406 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.650 -15.624 2.878 1.00 1.60 C ATOM 0 H VAL A 103 -1.032 -16.158 3.257 1.00 0.63 H new ATOM 0 HA VAL A 103 0.106 -16.092 0.603 1.00 0.68 H new ATOM 0 HB VAL A 103 0.962 -17.628 3.090 1.00 0.89 H new ATOM 0 HG11 VAL A 103 3.165 -17.697 1.998 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.919 -18.519 1.028 1.00 1.56 H new ATOM 0 HG13 VAL A 103 2.477 -16.893 0.568 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.563 -15.794 3.448 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.848 -14.908 2.081 1.00 1.60 H new ATOM 0 HG23 VAL A 103 0.878 -15.228 3.538 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.434 -18.355 -0.305 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.879 -19.615 -0.887 1.00 0.73 C ATOM 1615 C VAL A 104 0.243 -20.286 -1.674 1.00 0.83 C ATOM 1616 O VAL A 104 1.060 -19.616 -2.307 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.090 -19.409 -1.816 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -3.261 -18.825 -1.043 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -1.718 -18.517 -2.992 1.00 1.27 C ATOM 0 H VAL A 104 0.025 -17.725 -0.962 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.172 -20.259 -0.058 1.00 0.73 H new ATOM 0 HB VAL A 104 -2.392 -20.380 -2.210 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -4.108 -18.686 -1.715 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -3.543 -19.506 -0.240 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.973 -17.863 -0.618 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.587 -18.384 -3.637 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -1.388 -17.546 -2.622 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -0.912 -18.982 -3.561 1.00 1.27 H new