USER MOD reduce.3.24.130724 H: found=0, std=0, add=1321, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1343 hydrogens (20 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 NoAdj-H: A 97 HIS HD1 : A 97 HIS ND1 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD NoAdj-H: A 124 HIS HE2 : A 124 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD Set 1.1: A 135 ASN : amide:sc= 0.583 K(o=1.2,f=-0.54) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.571 K(o=1.2,f=-0.54) USER MOD Set 2.1: A 6 ASN : amide:sc= -0.985 X(o=-0.96,f=-1.3) USER MOD Set 2.2: A 7 SER OG : rot 36:sc= 0.0223 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 161:sc= 1.15 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -126:sc= 1.59 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.902 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -159:sc= 0.732 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 103:sc= 0.532 USER MOD Single : A 28 HIS : no HE2:sc= -0.406 K(o=-0.41,f=-4.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 41 MET CE :methyl -178:sc= -2.31 (180deg=-2.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.169 K(o=0.17,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.7!) USER MOD Single : A 72 SER OG : rot 50:sc= 0.893 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00826 X(o=-0.0083,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 84 HIS : no HE2:sc= -0.734 K(o=-0.73,f=-1.6) USER MOD Single : A 90 THR OG1 : rot -50:sc= 0.108 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.0677 K(o=0.068,f=-15!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0.127 USER MOD Single : A 119 THR OG1 : rot 157:sc= 1.15 USER MOD Single : A 125 SER OG : rot 78:sc= -0.222 USER MOD Single : A 128 MET CE :methyl 175:sc= -0.598 (180deg=-0.646) USER MOD Single : A 130 HIS : no HD1:sc= -0.347 K(o=-0.35,f=-1) USER MOD Single : A 131 SER OG : rot 120:sc= -0.0851 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl 149:sc= -1.85 (180deg=-2.77) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= 1.01 K(o=1,f=-0.0037) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -139:sc= 0.0187 USER MOD Single : A 154 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.022) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.1) USER MOD Single : A 162 LYS NZ :NH3+ -142:sc= -0.0984 (180deg=-0.694) USER MOD Single : A 164 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 42:sc= 0.0997 USER MOD Single : A 169 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.22) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot 160:sc= 0.0145 USER MOD Single : A 178 MDW O17 : rot 170:sc= 0.0183 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -7.279 -7.148 16.124 1.00 0.56 C ATOM 2 C TYR A 1 -6.128 -6.380 15.464 1.00 0.57 C ATOM 3 O TYR A 1 -4.989 -6.507 15.901 1.00 -0.57 O ATOM 4 CB TYR A 1 -7.946 -8.141 15.155 1.00 0.14 C ATOM 5 CG TYR A 1 -7.259 -9.496 15.107 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -6.078 -9.680 14.361 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -7.808 -10.579 15.822 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -5.459 -10.943 14.319 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -7.205 -11.851 15.769 1.00 -0.15 C ATOM 10 CZ TYR A 1 -6.027 -12.038 15.007 1.00 0.08 C ATOM 11 OH TYR A 1 -5.430 -13.259 14.911 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -8.986 -8.280 15.449 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -7.953 -7.710 14.154 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -5.647 -8.850 13.820 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -8.698 -10.433 16.415 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -4.546 -11.076 13.758 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -7.640 -12.680 16.308 1.00 -0.15 H new ATOM 0 HH TYR A 1 -5.935 -13.912 15.439 1.00 -0.53 H new ATOM 20 N SER A 2 -6.421 -5.585 14.425 1.00 -0.73 N ATOM 21 CA SER A 2 -5.423 -4.833 13.662 1.00 0.36 C ATOM 22 C SER A 2 -5.970 -3.460 13.254 1.00 0.57 C ATOM 23 O SER A 2 -5.231 -2.479 13.293 1.00 -0.57 O ATOM 24 CB SER A 2 -5.002 -5.671 12.446 1.00 0.28 C ATOM 25 OG SER A 2 -4.143 -4.950 11.598 1.00 -0.68 O ATOM 0 H SER A 2 -7.374 -5.446 14.088 1.00 -0.73 H new ATOM 0 HA SER A 2 -4.544 -4.645 14.279 1.00 0.36 H new ATOM 0 HB2 SER A 2 -4.504 -6.580 12.784 1.00 0.28 H new ATOM 0 HB3 SER A 2 -5.888 -5.980 11.891 1.00 0.28 H new ATOM 0 HG SER A 2 -3.662 -5.573 11.014 1.00 -0.68 H new ATOM 31 N LEU A 3 -7.269 -3.369 12.924 1.00 -0.73 N ATOM 32 CA LEU A 3 -7.953 -2.099 12.727 1.00 0.36 C ATOM 33 C LEU A 3 -7.914 -1.268 14.027 1.00 0.57 C ATOM 34 O LEU A 3 -8.642 -1.512 14.996 1.00 -0.57 O ATOM 35 CB LEU A 3 -9.344 -2.318 12.094 1.00 0.00 C ATOM 36 CG LEU A 3 -10.446 -2.898 13.009 1.00 0.00 C ATOM 37 CD1 LEU A 3 -11.447 -1.807 13.410 1.00 0.00 C ATOM 38 CD2 LEU A 3 -11.201 -4.046 12.323 1.00 0.00 C ATOM 0 H LEU A 3 -7.869 -4.183 12.788 1.00 -0.73 H new ATOM 0 HA LEU A 3 -7.429 -1.485 11.994 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -9.694 -1.362 11.706 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.227 -2.985 11.240 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.952 -3.286 13.900 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.215 -2.236 14.054 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.926 -1.014 13.946 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.913 -1.394 12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.968 -4.430 12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.669 -3.679 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.502 -4.845 12.076 1.00 0.00 H new ATOM 50 N PHE A 4 -6.969 -0.327 14.047 1.00 -0.73 N ATOM 51 CA PHE A 4 -6.797 0.703 15.063 1.00 0.36 C ATOM 52 C PHE A 4 -7.752 1.898 14.853 1.00 0.57 C ATOM 53 O PHE A 4 -8.326 2.356 15.841 1.00 -0.57 O ATOM 54 CB PHE A 4 -5.327 1.174 15.053 1.00 0.14 C ATOM 55 CG PHE A 4 -4.676 1.198 16.419 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -4.966 2.240 17.320 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -3.782 0.176 16.792 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -4.365 2.258 18.590 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -3.183 0.193 18.063 1.00 -0.15 C ATOM 60 CZ PHE A 4 -3.479 1.233 18.964 1.00 -0.15 C ATOM 0 H PHE A 4 -6.265 -0.263 13.311 1.00 -0.73 H new ATOM 0 HA PHE A 4 -7.046 0.273 16.033 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -4.751 0.519 14.400 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -5.280 2.174 14.623 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -5.650 3.025 17.035 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -3.556 -0.622 16.100 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -4.584 3.060 19.279 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -2.497 -0.591 18.348 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -3.025 1.243 19.944 1.00 -0.15 H new ATOM 70 N PRO A 5 -7.920 2.443 13.628 1.00 -0.66 N ATOM 71 CA PRO A 5 -8.842 3.550 13.374 1.00 0.36 C ATOM 72 C PRO A 5 -10.311 3.080 13.333 1.00 0.57 C ATOM 73 O PRO A 5 -10.636 1.952 13.715 1.00 -0.57 O ATOM 74 CB PRO A 5 -8.354 4.200 12.069 1.00 0.00 C ATOM 75 CG PRO A 5 -7.498 3.148 11.377 1.00 0.00 C ATOM 76 CD PRO A 5 -7.223 2.069 12.406 1.00 0.30 C ATOM 0 HA PRO A 5 -8.837 4.284 14.180 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -9.195 4.495 11.441 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.777 5.102 12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.016 2.735 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.567 3.583 11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.570 1.100 12.048 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -6.152 1.977 12.588 1.00 0.30 H new ATOM 84 N ASN A 6 -11.207 3.973 12.883 1.00 -0.73 N ATOM 85 CA ASN A 6 -12.605 3.644 12.588 1.00 0.36 C ATOM 86 C ASN A 6 -12.693 2.480 11.591 1.00 0.57 C ATOM 87 O ASN A 6 -11.693 2.133 10.958 1.00 -0.57 O ATOM 88 CB ASN A 6 -13.344 4.884 12.045 1.00 0.06 C ATOM 89 CG ASN A 6 -14.850 4.634 11.902 1.00 0.57 C ATOM 90 OD1 ASN A 6 -15.511 4.192 12.848 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -15.397 4.846 10.714 1.00 -0.80 N ATOM 0 H ASN A 6 -10.976 4.952 12.713 1.00 -0.73 H new ATOM 0 HA ASN A 6 -13.088 3.331 13.514 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -13.178 5.728 12.715 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -12.928 5.159 11.076 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -16.385 4.644 10.564 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -14.830 5.212 9.949 1.00 -0.80 H new ATOM 98 N SER A 7 -13.893 1.902 11.444 1.00 -0.73 N ATOM 99 CA SER A 7 -14.165 0.813 10.523 1.00 0.36 C ATOM 100 C SER A 7 -13.536 1.099 9.151 1.00 0.57 C ATOM 101 O SER A 7 -13.917 2.072 8.493 1.00 -0.57 O ATOM 102 CB SER A 7 -15.671 0.524 10.457 1.00 0.28 C ATOM 103 OG SER A 7 -16.479 1.642 10.137 1.00 -0.68 O ATOM 0 H SER A 7 -14.713 2.192 11.978 1.00 -0.73 H new ATOM 0 HA SER A 7 -13.696 -0.099 10.891 1.00 0.36 H new ATOM 0 HB2 SER A 7 -15.844 -0.256 9.715 1.00 0.28 H new ATOM 0 HB3 SER A 7 -15.992 0.125 11.419 1.00 0.28 H new ATOM 0 HG SER A 7 -16.011 2.210 9.490 1.00 -0.68 H new ATOM 109 N PRO A 8 -12.531 0.303 8.738 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.944 0.458 7.428 1.00 0.36 C ATOM 111 C PRO A 8 -12.918 -0.026 6.358 1.00 0.57 C ATOM 112 O PRO A 8 -13.971 -0.587 6.675 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.671 -0.379 7.451 1.00 0.00 C ATOM 114 CG PRO A 8 -10.843 -1.400 8.568 1.00 0.00 C ATOM 115 CD PRO A 8 -11.942 -0.821 9.452 1.00 0.30 C ATOM 0 HA PRO A 8 -11.720 1.498 7.192 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.516 -0.875 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.798 0.248 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.125 -2.376 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.917 -1.537 9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.698 -1.576 9.668 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.533 -0.496 10.409 1.00 0.30 H new ATOM 123 N LYS A 9 -12.496 0.146 5.098 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.209 -0.188 3.872 1.00 0.36 C ATOM 125 C LYS A 9 -14.109 0.997 3.504 1.00 0.57 C ATOM 126 O LYS A 9 -14.798 1.566 4.350 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.914 -1.566 3.963 1.00 0.00 C ATOM 128 CG LYS A 9 -15.450 -1.569 4.090 1.00 0.00 C ATOM 129 CD LYS A 9 -15.983 -2.989 4.364 1.00 0.00 C ATOM 130 CE LYS A 9 -16.942 -3.025 5.559 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.338 -2.751 5.155 1.00 -0.85 N ATOM 0 H LYS A 9 -11.581 0.552 4.902 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.515 -0.331 3.043 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.648 -2.140 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.504 -2.098 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.752 -0.902 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.894 -1.181 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.496 -3.360 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.145 -3.660 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.888 -4.003 6.038 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.627 -2.289 6.299 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.955 -2.785 5.992 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.395 -1.808 4.721 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.648 -3.468 4.468 1.00 -0.85 H new ATOM 145 N TRP A 10 -14.061 1.396 2.235 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.885 2.469 1.693 1.00 0.36 C ATOM 147 C TRP A 10 -16.348 2.015 1.577 1.00 0.57 C ATOM 148 O TRP A 10 -16.664 0.845 1.795 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.320 2.889 0.330 1.00 0.18 C ATOM 150 CG TRP A 10 -12.826 3.025 0.268 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.963 2.018 -0.008 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.993 4.209 0.478 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.673 2.500 -0.023 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.638 3.855 0.205 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.236 5.548 0.862 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.595 4.787 0.231 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.182 6.479 0.959 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.868 6.099 0.635 1.00 -0.15 C ATOM 0 H TRP A 10 -13.438 0.975 1.545 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.864 3.328 2.364 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.633 2.158 -0.415 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.767 3.842 0.048 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -12.244 0.991 -0.189 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.847 1.924 -0.183 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.245 5.862 1.084 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.595 4.499 -0.056 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.385 7.489 1.284 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.067 6.821 0.698 1.00 -0.15 H new ATOM 169 N THR A 11 -17.248 2.929 1.189 1.00 -0.73 N ATOM 170 CA THR A 11 -18.683 2.651 1.114 1.00 0.36 C ATOM 171 C THR A 11 -19.143 2.291 -0.307 1.00 0.57 C ATOM 172 O THR A 11 -20.259 1.802 -0.487 1.00 -0.57 O ATOM 173 CB THR A 11 -19.460 3.857 1.671 1.00 0.28 C ATOM 174 OG1 THR A 11 -19.213 5.027 0.905 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.068 4.139 3.128 1.00 0.00 C ATOM 0 H THR A 11 -16.999 3.880 0.919 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.893 1.771 1.723 1.00 0.36 H new ATOM 0 HB THR A 11 -20.519 3.603 1.617 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.720 5.777 1.280 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.632 4.996 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.292 3.266 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.001 4.356 3.182 1.00 0.00 H new ATOM 183 N SER A 12 -18.276 2.507 -1.303 1.00 -0.73 N ATOM 184 CA SER A 12 -18.497 2.198 -2.706 1.00 0.36 C ATOM 185 C SER A 12 -17.698 0.943 -3.063 1.00 0.57 C ATOM 186 O SER A 12 -16.630 0.684 -2.503 1.00 -0.57 O ATOM 187 CB SER A 12 -18.047 3.413 -3.532 1.00 0.28 C ATOM 188 OG SER A 12 -17.929 3.137 -4.910 1.00 -0.68 O ATOM 0 H SER A 12 -17.359 2.922 -1.136 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.548 1.999 -2.917 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.761 4.224 -3.391 1.00 0.28 H new ATOM 0 HB3 SER A 12 -17.086 3.764 -3.155 1.00 0.28 H new ATOM 0 HG SER A 12 -17.035 3.392 -5.219 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.202 0.190 -4.047 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.515 -0.962 -4.637 1.00 0.36 C ATOM 196 C LYS A 13 -16.350 -0.546 -5.552 1.00 0.57 C ATOM 197 O LYS A 13 -15.595 -1.414 -5.998 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.540 -1.828 -5.390 1.00 0.00 C ATOM 199 CG LYS A 13 -18.900 -1.252 -6.774 1.00 0.00 C ATOM 200 CD LYS A 13 -20.382 -1.350 -7.138 1.00 0.00 C ATOM 201 CE LYS A 13 -21.093 -0.136 -6.532 1.00 0.50 C ATOM 202 NZ LYS A 13 -22.462 0.049 -7.040 1.00 -0.85 N ATOM 0 H LYS A 13 -19.116 0.368 -4.463 1.00 -0.73 H new ATOM 0 HA LYS A 13 -17.069 -1.545 -3.832 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.140 -2.834 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.446 -1.916 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.600 -0.205 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.318 -1.774 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.509 -1.367 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.810 -2.275 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.127 -0.247 -5.448 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.510 0.761 -6.743 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.888 0.885 -6.592 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.434 0.184 -8.071 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -23.032 -0.792 -6.816 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.229 0.760 -5.838 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.165 1.358 -6.631 1.00 0.36 C ATOM 218 C VAL A 14 -14.563 2.524 -5.847 1.00 0.57 C ATOM 219 O VAL A 14 -15.303 3.251 -5.172 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.630 1.807 -8.038 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.368 0.703 -8.806 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.529 3.056 -8.054 1.00 0.00 C ATOM 0 H VAL A 14 -16.903 1.450 -5.505 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.407 0.595 -6.808 1.00 0.36 H new ATOM 0 HB VAL A 14 -14.687 2.051 -8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.668 1.079 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.708 -0.155 -8.934 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.253 0.400 -8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -16.804 3.293 -9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -17.431 2.863 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.990 3.898 -7.619 1.00 0.00 H new ATOM 232 N VAL A 15 -13.248 2.719 -5.982 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.474 3.726 -5.258 1.00 0.36 C ATOM 234 C VAL A 15 -11.632 4.499 -6.274 1.00 0.57 C ATOM 235 O VAL A 15 -11.301 3.966 -7.339 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.601 3.016 -4.200 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.708 3.970 -3.401 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.461 2.286 -3.162 1.00 0.00 C ATOM 0 H VAL A 15 -12.677 2.162 -6.618 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.119 4.433 -4.736 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.986 2.329 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.124 3.401 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.035 4.493 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.329 4.696 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.815 1.797 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.105 3.004 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.076 1.537 -3.661 1.00 0.00 H new ATOM 248 N THR A 16 -11.282 5.748 -5.963 1.00 -0.73 N ATOM 249 CA THR A 16 -10.542 6.596 -6.887 1.00 0.36 C ATOM 250 C THR A 16 -9.070 6.673 -6.455 1.00 0.57 C ATOM 251 O THR A 16 -8.774 6.709 -5.264 1.00 -0.57 O ATOM 252 CB THR A 16 -11.249 7.961 -7.004 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.043 8.741 -5.846 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.754 7.807 -7.268 1.00 0.00 C ATOM 0 H THR A 16 -11.503 6.193 -5.072 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.532 6.173 -7.892 1.00 0.36 H new ATOM 0 HB THR A 16 -10.806 8.472 -7.859 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.500 9.602 -5.946 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.213 8.793 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.906 7.264 -8.201 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.213 7.255 -6.448 1.00 0.00 H new ATOM 262 N TYR A 17 -8.115 6.726 -7.388 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.703 6.904 -7.043 1.00 0.36 C ATOM 264 C TYR A 17 -6.058 7.971 -7.923 1.00 0.57 C ATOM 265 O TYR A 17 -6.491 8.204 -9.056 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.949 5.563 -7.084 1.00 0.14 C ATOM 267 CG TYR A 17 -5.833 4.915 -8.448 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.854 4.059 -8.891 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.710 5.155 -9.263 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -6.781 3.472 -10.165 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -4.615 4.552 -10.532 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.663 3.716 -10.991 1.00 0.08 C ATOM 273 OH TYR A 17 -5.613 3.145 -12.228 1.00 -0.53 O ATOM 0 H TYR A 17 -8.295 6.648 -8.389 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.640 7.264 -6.016 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.945 5.720 -6.690 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.449 4.865 -6.412 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.698 3.851 -8.250 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.920 5.803 -8.914 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -7.580 2.834 -10.512 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -3.748 4.726 -11.152 1.00 -0.15 H new ATOM 0 HH TYR A 17 -4.782 3.408 -12.676 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.014 8.630 -7.399 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.237 9.597 -8.166 1.00 0.36 C ATOM 285 C ARG A 18 -2.811 9.624 -7.655 1.00 0.57 C ATOM 286 O ARG A 18 -2.520 10.055 -6.540 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.868 10.997 -8.131 1.00 0.00 C ATOM 288 CG ARG A 18 -4.590 11.797 -9.414 1.00 0.00 C ATOM 289 CD ARG A 18 -3.256 12.557 -9.443 1.00 0.33 C ATOM 290 NE ARG A 18 -3.176 13.429 -10.633 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.802 13.051 -11.868 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.302 11.835 -12.072 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -2.931 13.887 -12.899 1.00 -0.97 N ATOM 0 H ARG A 18 -4.692 8.505 -6.439 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.234 9.283 -9.210 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.945 10.904 -7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.481 11.546 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.616 11.112 -10.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.399 12.513 -9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.154 13.157 -8.539 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -2.428 11.848 -9.450 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.428 14.409 -10.506 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.202 11.187 -11.291 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.019 11.551 -13.010 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -3.316 14.820 -12.754 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -2.645 13.593 -13.833 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.916 9.145 -8.501 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.503 9.130 -8.225 1.00 0.36 C ATOM 309 C ILE A 19 -0.032 10.553 -8.591 1.00 0.57 C ATOM 310 O ILE A 19 -0.032 10.896 -9.777 1.00 -0.57 O ATOM 311 CB ILE A 19 0.125 7.951 -9.007 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.572 6.582 -8.772 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.594 7.799 -8.611 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.430 5.633 -9.968 1.00 0.00 C ATOM 0 H ILE A 19 -2.161 8.752 -9.410 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.204 8.941 -7.194 1.00 0.36 H new ATOM 0 HB ILE A 19 0.002 8.203 -10.060 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.147 6.110 -7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.630 6.748 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.035 6.969 -9.162 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.131 8.718 -8.847 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.664 7.602 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.936 4.693 -9.748 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.880 6.089 -10.850 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.626 5.442 -10.157 1.00 0.00 H new ATOM 326 N VAL A 20 0.181 11.423 -7.586 1.00 -0.73 N ATOM 327 CA VAL A 20 0.486 12.858 -7.766 1.00 0.36 C ATOM 328 C VAL A 20 1.939 13.077 -8.200 1.00 0.57 C ATOM 329 O VAL A 20 2.198 13.842 -9.128 1.00 -0.57 O ATOM 330 CB VAL A 20 0.205 13.697 -6.491 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.292 13.985 -6.325 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.744 13.108 -5.177 1.00 0.00 C ATOM 0 H VAL A 20 0.146 11.144 -6.606 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.184 13.201 -8.554 1.00 0.36 H new ATOM 0 HB VAL A 20 0.761 14.618 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.451 14.574 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.654 14.541 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.837 13.044 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.493 13.773 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.295 12.130 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.827 13.003 -5.242 1.00 0.00 H new ATOM 342 N SER A 21 2.865 12.377 -7.544 1.00 -0.73 N ATOM 343 CA SER A 21 4.284 12.306 -7.867 1.00 0.36 C ATOM 344 C SER A 21 4.586 10.841 -8.161 1.00 0.57 C ATOM 345 O SER A 21 3.727 9.985 -7.967 1.00 -0.57 O ATOM 346 CB SER A 21 5.181 12.858 -6.736 1.00 0.28 C ATOM 347 OG SER A 21 4.517 13.175 -5.524 1.00 -0.68 O ATOM 0 H SER A 21 2.628 11.814 -6.727 1.00 -0.73 H new ATOM 0 HA SER A 21 4.505 12.935 -8.729 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.958 12.124 -6.522 1.00 0.28 H new ATOM 0 HB3 SER A 21 5.682 13.755 -7.100 1.00 0.28 H new ATOM 0 HG SER A 21 5.062 13.804 -5.007 1.00 -0.68 H new ATOM 353 N TYR A 22 5.808 10.530 -8.587 1.00 -0.73 N ATOM 354 CA TYR A 22 6.210 9.185 -8.974 1.00 0.36 C ATOM 355 C TYR A 22 7.677 8.990 -8.596 1.00 0.57 C ATOM 356 O TYR A 22 8.394 9.979 -8.420 1.00 -0.57 O ATOM 357 CB TYR A 22 6.022 9.034 -10.487 1.00 0.14 C ATOM 358 CG TYR A 22 4.580 8.918 -10.969 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.800 10.056 -11.249 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.034 7.643 -11.190 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.494 9.916 -11.759 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.738 7.489 -11.715 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.959 8.630 -12.016 1.00 0.08 C ATOM 364 OH TYR A 22 0.709 8.489 -12.550 1.00 -0.53 O ATOM 0 H TYR A 22 6.556 11.218 -8.673 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.606 8.435 -8.464 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.481 9.892 -10.978 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.567 8.149 -10.815 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.205 11.042 -11.072 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.619 6.766 -10.953 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.897 10.795 -11.955 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.339 6.501 -11.888 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.506 7.537 -12.660 1.00 -0.53 H new ATOM 374 N THR A 23 8.118 7.728 -8.510 1.00 -0.73 N ATOM 375 CA THR A 23 9.527 7.376 -8.342 1.00 0.36 C ATOM 376 C THR A 23 10.357 7.835 -9.556 1.00 0.57 C ATOM 377 O THR A 23 9.828 8.359 -10.540 1.00 -0.57 O ATOM 378 CB THR A 23 9.660 5.865 -8.045 1.00 0.28 C ATOM 379 OG1 THR A 23 10.971 5.562 -7.606 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.359 4.967 -9.250 1.00 0.00 C ATOM 0 H THR A 23 7.499 6.919 -8.556 1.00 -0.73 H new ATOM 0 HA THR A 23 9.937 7.907 -7.483 1.00 0.36 H new ATOM 0 HB THR A 23 8.917 5.660 -7.274 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.972 5.446 -6.633 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.474 3.922 -8.963 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.337 5.141 -9.587 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.052 5.199 -10.059 1.00 0.00 H new ATOM 388 N ARG A 24 11.671 7.600 -9.476 1.00 -0.73 N ATOM 389 CA ARG A 24 12.637 7.952 -10.512 1.00 0.36 C ATOM 390 C ARG A 24 13.341 6.740 -11.098 1.00 0.57 C ATOM 391 O ARG A 24 13.568 6.736 -12.304 1.00 -0.57 O ATOM 392 CB ARG A 24 13.718 8.870 -9.945 1.00 0.00 C ATOM 393 CG ARG A 24 13.227 10.276 -9.588 1.00 0.00 C ATOM 394 CD ARG A 24 14.107 11.313 -10.282 1.00 0.33 C ATOM 395 NE ARG A 24 14.050 12.621 -9.612 1.00 -0.84 N ATOM 396 CZ ARG A 24 14.970 13.581 -9.798 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.062 13.352 -10.536 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.796 14.781 -9.248 1.00 -0.97 N ATOM 0 H ARG A 24 12.099 7.148 -8.668 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.063 8.446 -11.296 1.00 0.36 H new ATOM 0 HB2 ARG A 24 14.140 8.408 -9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.525 8.954 -10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.189 10.400 -9.896 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.258 10.421 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.138 10.960 -10.300 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.789 11.423 -11.319 1.00 0.33 H new ATOM 0 HE ARG A 24 13.275 12.808 -8.976 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.204 12.438 -10.966 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.752 14.091 -10.668 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 13.965 14.969 -8.687 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 15.493 15.512 -9.388 1.00 -0.97 H new ATOM 412 N ASP A 25 13.708 5.735 -10.282 1.00 -0.73 N ATOM 413 CA ASP A 25 14.470 4.597 -10.807 1.00 0.36 C ATOM 414 C ASP A 25 13.660 3.875 -11.885 1.00 0.57 C ATOM 415 O ASP A 25 14.239 3.461 -12.895 1.00 -0.57 O ATOM 416 CB ASP A 25 14.962 3.647 -9.693 1.00 0.06 C ATOM 417 CG ASP A 25 16.052 2.662 -10.184 1.00 0.66 C ATOM 418 OD1 ASP A 25 17.209 3.046 -10.224 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.734 1.428 -10.563 1.00 -0.65 O ATOM 0 H ASP A 25 13.495 5.690 -9.285 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.377 4.983 -11.272 1.00 0.36 H new ATOM 0 HB2 ASP A 25 15.358 4.237 -8.867 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.116 3.081 -9.304 1.00 0.06 H new ATOM 425 N LEU A 26 12.326 3.860 -11.709 1.00 -0.73 N ATOM 426 CA LEU A 26 11.336 3.274 -12.605 1.00 0.36 C ATOM 427 C LEU A 26 10.416 4.377 -13.159 1.00 0.57 C ATOM 428 O LEU A 26 10.167 5.360 -12.460 1.00 -0.57 O ATOM 429 CB LEU A 26 10.465 2.230 -11.869 1.00 0.00 C ATOM 430 CG LEU A 26 11.171 0.998 -11.266 1.00 0.00 C ATOM 431 CD1 LEU A 26 12.332 0.484 -12.130 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.620 1.268 -9.823 1.00 0.00 C ATOM 0 H LEU A 26 11.895 4.283 -10.887 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.872 2.782 -13.417 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.939 2.742 -11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.708 1.873 -12.568 1.00 0.00 H new ATOM 0 HG LEU A 26 10.432 0.197 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.786 -0.383 -11.651 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.956 0.200 -13.113 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.079 1.270 -12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.114 0.382 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.314 2.108 -9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.751 1.506 -9.210 1.00 0.00 H new ATOM 444 N PRO A 27 9.882 4.222 -14.386 1.00 -0.66 N ATOM 445 CA PRO A 27 9.026 5.224 -15.010 1.00 0.36 C ATOM 446 C PRO A 27 7.589 5.239 -14.456 1.00 0.57 C ATOM 447 O PRO A 27 7.117 4.290 -13.829 1.00 -0.57 O ATOM 448 CB PRO A 27 9.068 4.912 -16.511 1.00 0.00 C ATOM 449 CG PRO A 27 9.447 3.437 -16.608 1.00 0.00 C ATOM 450 CD PRO A 27 10.181 3.132 -15.304 1.00 0.30 C ATOM 0 HA PRO A 27 9.389 6.228 -14.792 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.102 5.101 -16.979 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.798 5.540 -17.022 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.563 2.809 -16.720 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.083 3.249 -17.473 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.854 2.178 -14.891 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.255 3.054 -15.474 1.00 0.30 H new ATOM 458 N HIS A 28 6.865 6.324 -14.756 1.00 -0.73 N ATOM 459 CA HIS A 28 5.500 6.577 -14.287 1.00 0.36 C ATOM 460 C HIS A 28 4.513 5.519 -14.791 1.00 0.57 C ATOM 461 O HIS A 28 3.709 4.996 -14.018 1.00 -0.57 O ATOM 462 CB HIS A 28 5.038 7.971 -14.755 1.00 0.17 C ATOM 463 CG HIS A 28 6.071 9.063 -14.622 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.190 9.931 -13.568 1.00 -0.70 N ATOM 465 CD2 HIS A 28 7.068 9.375 -15.510 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.262 10.711 -13.788 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.825 10.423 -14.974 1.00 -0.70 N ATOM 0 H HIS A 28 7.225 7.071 -15.350 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.514 6.530 -13.198 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.734 7.905 -15.800 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.155 8.255 -14.183 1.00 0.17 H new ATOM 0 HD1 HIS A 28 5.572 9.977 -12.758 1.00 -0.70 H new ATOM 0 HD2 HIS A 28 7.240 8.894 -16.461 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.622 11.466 -13.105 1.00 0.65 H new ATOM 476 N ILE A 29 4.601 5.187 -16.087 1.00 -0.73 N ATOM 477 CA ILE A 29 3.802 4.134 -16.709 1.00 0.36 C ATOM 478 C ILE A 29 4.048 2.804 -15.986 1.00 0.57 C ATOM 479 O ILE A 29 3.086 2.099 -15.694 1.00 -0.57 O ATOM 480 CB ILE A 29 4.086 4.070 -18.233 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.176 3.056 -18.967 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.561 3.781 -18.574 1.00 0.00 C ATOM 483 CD1 ILE A 29 1.875 3.702 -19.440 1.00 0.00 C ATOM 0 H ILE A 29 5.237 5.650 -16.736 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.740 4.358 -16.608 1.00 0.36 H new ATOM 0 HB ILE A 29 3.853 5.073 -18.592 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.709 2.642 -19.823 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.948 2.224 -18.301 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.685 3.751 -19.657 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.191 4.567 -18.158 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.851 2.820 -18.149 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.264 2.958 -19.950 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.329 4.092 -18.581 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.102 4.517 -20.127 1.00 0.00 H new ATOM 495 N THR A 30 5.304 2.490 -15.640 1.00 -0.73 N ATOM 496 CA THR A 30 5.641 1.310 -14.859 1.00 0.36 C ATOM 497 C THR A 30 4.986 1.412 -13.486 1.00 0.57 C ATOM 498 O THR A 30 4.322 0.463 -13.101 1.00 -0.57 O ATOM 499 CB THR A 30 7.169 1.124 -14.791 1.00 0.28 C ATOM 500 OG1 THR A 30 7.650 0.639 -16.028 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.662 0.151 -13.722 1.00 0.00 C ATOM 0 H THR A 30 6.113 3.055 -15.899 1.00 -0.73 H new ATOM 0 HA THR A 30 5.250 0.414 -15.341 1.00 0.36 H new ATOM 0 HB THR A 30 7.547 2.114 -14.538 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.622 0.525 -15.979 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.750 0.092 -13.758 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.350 0.502 -12.739 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.239 -0.837 -13.906 1.00 0.00 H new ATOM 509 N VAL A 31 5.088 2.535 -12.760 1.00 -0.73 N ATOM 510 CA VAL A 31 4.418 2.664 -11.464 1.00 0.36 C ATOM 511 C VAL A 31 2.925 2.370 -11.597 1.00 0.57 C ATOM 512 O VAL A 31 2.433 1.541 -10.840 1.00 -0.57 O ATOM 513 CB VAL A 31 4.685 4.046 -10.838 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.683 4.431 -9.735 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.097 4.099 -10.253 1.00 0.00 C ATOM 0 H VAL A 31 5.622 3.356 -13.046 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.835 1.922 -10.783 1.00 0.36 H new ATOM 0 HB VAL A 31 4.569 4.764 -11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.935 5.416 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.675 4.453 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.728 3.697 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.272 5.081 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.201 3.334 -9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.825 3.920 -11.044 1.00 0.00 H new ATOM 525 N ASP A 32 2.223 2.981 -12.559 1.00 -0.73 N ATOM 526 CA ASP A 32 0.786 2.767 -12.748 1.00 0.36 C ATOM 527 C ASP A 32 0.483 1.313 -13.153 1.00 0.57 C ATOM 528 O ASP A 32 -0.424 0.691 -12.600 1.00 -0.57 O ATOM 529 CB ASP A 32 0.265 3.785 -13.774 1.00 0.06 C ATOM 530 CG ASP A 32 -1.263 3.816 -13.875 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.801 2.998 -14.603 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.906 4.792 -13.240 1.00 -0.65 O ATOM 0 H ASP A 32 2.634 3.635 -13.225 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.263 2.927 -11.805 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.625 4.778 -13.505 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.682 3.550 -14.753 1.00 0.06 H new ATOM 538 N ARG A 33 1.294 0.719 -14.041 1.00 -0.73 N ATOM 539 CA ARG A 33 1.150 -0.676 -14.469 1.00 0.36 C ATOM 540 C ARG A 33 1.383 -1.657 -13.329 1.00 0.57 C ATOM 541 O ARG A 33 0.619 -2.615 -13.172 1.00 -0.57 O ATOM 542 CB ARG A 33 2.157 -0.989 -15.594 1.00 0.00 C ATOM 543 CG ARG A 33 1.649 -0.601 -16.987 1.00 0.00 C ATOM 544 CD ARG A 33 0.428 -1.449 -17.379 1.00 0.33 C ATOM 545 NE ARG A 33 0.652 -2.266 -18.581 1.00 -0.84 N ATOM 546 CZ ARG A 33 1.245 -3.468 -18.654 1.00 1.20 C ATOM 547 NH1 ARG A 33 1.902 -3.990 -17.619 1.00 -0.97 N ATOM 548 NH2 ARG A 33 1.173 -4.139 -19.800 1.00 -0.97 N ATOM 0 H ARG A 33 2.076 1.201 -14.485 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.125 -0.794 -14.822 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.090 -0.461 -15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.385 -2.055 -15.582 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.383 0.456 -17.000 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.444 -0.739 -17.720 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.165 -2.103 -16.547 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.424 -0.791 -17.549 1.00 0.33 H new ATOM 0 HE ARG A 33 0.318 -1.874 -19.461 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 1.964 -3.474 -16.742 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 2.343 -4.906 -17.704 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.676 -3.738 -20.595 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 1.615 -5.055 -19.883 1.00 -0.97 H new ATOM 562 N LEU A 34 2.453 -1.443 -12.567 1.00 -0.73 N ATOM 563 CA LEU A 34 2.827 -2.282 -11.448 1.00 0.36 C ATOM 564 C LEU A 34 1.824 -2.087 -10.315 1.00 0.57 C ATOM 565 O LEU A 34 1.477 -3.075 -9.677 1.00 -0.57 O ATOM 566 CB LEU A 34 4.255 -1.971 -10.980 1.00 0.00 C ATOM 567 CG LEU A 34 5.405 -2.300 -11.962 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.753 -2.074 -11.262 1.00 0.00 C ATOM 569 CD2 LEU A 34 5.334 -3.694 -12.592 1.00 0.00 C ATOM 0 H LEU A 34 3.093 -0.663 -12.719 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.810 -3.325 -11.763 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.309 -0.909 -10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.434 -2.517 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 34 5.295 -1.617 -12.804 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.565 -2.305 -11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.830 -1.033 -10.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.823 -2.723 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.181 -3.833 -13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.366 -4.450 -11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.405 -3.793 -13.153 1.00 0.00 H new ATOM 581 N VAL A 35 1.301 -0.871 -10.105 1.00 -0.73 N ATOM 582 CA VAL A 35 0.140 -0.626 -9.252 1.00 0.36 C ATOM 583 C VAL A 35 -1.020 -1.480 -9.746 1.00 0.57 C ATOM 584 O VAL A 35 -1.561 -2.232 -8.948 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.190 0.886 -9.167 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.674 1.236 -8.959 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.622 1.508 -8.022 1.00 0.00 C ATOM 0 H VAL A 35 1.679 -0.024 -10.529 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.357 -0.923 -8.226 1.00 0.36 H new ATOM 0 HB VAL A 35 0.073 1.292 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.790 2.319 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.260 0.842 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.025 0.795 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.397 2.572 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.360 1.020 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.686 1.374 -8.216 1.00 0.00 H new ATOM 597 N SER A 36 -1.375 -1.448 -11.037 1.00 -0.73 N ATOM 598 CA SER A 36 -2.492 -2.249 -11.531 1.00 0.36 C ATOM 599 C SER A 36 -2.258 -3.743 -11.257 1.00 0.57 C ATOM 600 O SER A 36 -3.160 -4.411 -10.758 1.00 -0.57 O ATOM 601 CB SER A 36 -2.771 -1.947 -13.014 1.00 0.28 C ATOM 602 OG SER A 36 -4.149 -1.675 -13.194 1.00 -0.68 O ATOM 0 H SER A 36 -0.909 -0.883 -11.747 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.393 -1.971 -10.984 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.176 -1.093 -13.340 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.474 -2.796 -13.630 1.00 0.28 H new ATOM 0 HG SER A 36 -4.324 -1.481 -14.139 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.049 -4.277 -11.488 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.737 -5.679 -11.166 1.00 0.36 C ATOM 610 C LYS A 37 -0.742 -5.959 -9.652 1.00 0.57 C ATOM 611 O LYS A 37 -1.218 -7.018 -9.237 1.00 -0.57 O ATOM 612 CB LYS A 37 0.603 -6.087 -11.806 1.00 0.00 C ATOM 613 CG LYS A 37 0.426 -6.426 -13.297 1.00 0.00 C ATOM 614 CD LYS A 37 1.750 -6.824 -13.971 1.00 0.00 C ATOM 615 CE LYS A 37 1.967 -8.344 -14.087 1.00 0.50 C ATOM 616 NZ LYS A 37 1.180 -8.950 -15.189 1.00 -0.85 N ATOM 0 H LYS A 37 -0.271 -3.759 -11.897 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.532 -6.293 -11.590 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.323 -5.276 -11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.013 -6.949 -11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.289 -7.242 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.003 -5.565 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.783 -6.386 -14.969 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.576 -6.392 -13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.026 -8.545 -14.249 1.00 0.50 H new ATOM 0 HE3 LYS A 37 1.693 -8.819 -13.145 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 1.362 -9.973 -15.224 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 0.167 -8.784 -15.024 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 1.459 -8.518 -16.093 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.248 -5.038 -8.819 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.242 -5.162 -7.362 1.00 0.36 C ATOM 632 C ALA A 38 -1.657 -5.133 -6.791 1.00 0.57 C ATOM 633 O ALA A 38 -2.028 -5.963 -5.962 1.00 -0.57 O ATOM 634 CB ALA A 38 0.564 -4.007 -6.764 1.00 0.00 C ATOM 0 H ALA A 38 0.168 -4.167 -9.148 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.209 -6.120 -7.104 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.572 -4.093 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.587 -4.045 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.108 -3.059 -7.049 1.00 0.00 H new ATOM 640 N LEU A 39 -2.466 -4.185 -7.259 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.857 -4.059 -6.871 1.00 0.36 C ATOM 642 C LEU A 39 -4.670 -5.212 -7.441 1.00 0.57 C ATOM 643 O LEU A 39 -5.608 -5.641 -6.777 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.435 -2.708 -7.320 1.00 0.00 C ATOM 645 CG LEU A 39 -4.248 -1.544 -6.329 1.00 0.00 C ATOM 646 CD1 LEU A 39 -5.035 -1.742 -5.024 1.00 0.00 C ATOM 647 CD2 LEU A 39 -2.786 -1.280 -5.967 1.00 0.00 C ATOM 0 H LEU A 39 -2.163 -3.476 -7.927 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.914 -4.099 -5.783 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -3.974 -2.432 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.501 -2.834 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.639 -0.680 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.865 -0.891 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.099 -1.820 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.700 -2.655 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.729 -0.447 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.358 -2.171 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.227 -1.033 -6.869 1.00 0.00 H new ATOM 659 N ASN A 40 -4.312 -5.769 -8.607 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.919 -7.001 -9.106 1.00 0.36 C ATOM 661 C ASN A 40 -4.650 -8.175 -8.164 1.00 0.57 C ATOM 662 O ASN A 40 -5.491 -9.062 -8.065 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.409 -7.343 -10.510 1.00 0.06 C ATOM 664 CG ASN A 40 -5.180 -8.509 -11.123 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.350 -8.383 -11.460 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.542 -9.654 -11.319 1.00 -0.80 N ATOM 0 H ASN A 40 -3.599 -5.378 -9.223 1.00 -0.73 H new ATOM 0 HA ASN A 40 -5.994 -6.829 -9.154 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.501 -6.468 -11.153 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.349 -7.593 -10.461 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.026 -10.440 -11.754 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.567 -9.750 -11.035 1.00 -0.80 H new ATOM 673 N MET A 41 -3.504 -8.195 -7.471 1.00 -0.73 N ATOM 674 CA MET A 41 -3.199 -9.207 -6.466 1.00 0.36 C ATOM 675 C MET A 41 -3.994 -8.979 -5.173 1.00 0.57 C ATOM 676 O MET A 41 -4.480 -9.955 -4.608 1.00 -0.57 O ATOM 677 CB MET A 41 -1.680 -9.278 -6.229 1.00 0.00 C ATOM 678 CG MET A 41 -1.018 -10.157 -7.297 1.00 0.23 C ATOM 679 SD MET A 41 0.774 -10.404 -7.142 1.00 -0.46 S ATOM 680 CE MET A 41 1.350 -8.729 -7.505 1.00 0.23 C ATOM 0 H MET A 41 -2.763 -7.505 -7.596 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.517 -10.180 -6.841 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.253 -8.276 -6.257 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.478 -9.683 -5.238 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.500 -11.134 -7.282 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.219 -9.717 -8.274 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.440 -8.707 -7.488 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.996 -8.428 -8.491 1.00 0.23 H new ATOM 0 HE3 MET A 41 0.962 -8.040 -6.755 1.00 0.23 H new ATOM 690 N TRP A 42 -4.214 -7.731 -4.734 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.144 -7.446 -3.633 1.00 0.36 C ATOM 692 C TRP A 42 -6.589 -7.808 -4.033 1.00 0.57 C ATOM 693 O TRP A 42 -7.271 -8.572 -3.347 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.007 -5.976 -3.192 1.00 0.18 C ATOM 695 CG TRP A 42 -4.042 -5.771 -2.063 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.695 -5.831 -2.152 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.332 -5.567 -0.642 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.140 -5.729 -0.891 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.107 -5.631 0.085 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.509 -5.368 0.110 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.062 -5.582 1.486 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.475 -5.297 1.517 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.257 -5.423 2.208 1.00 -0.15 C ATOM 0 H TRP A 42 -3.761 -6.905 -5.124 1.00 -0.73 H new ATOM 0 HA TRP A 42 -4.889 -8.069 -2.776 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.686 -5.379 -4.045 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -5.987 -5.603 -2.893 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.137 -5.942 -3.070 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.137 -5.727 -0.705 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.454 -5.268 -0.403 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.118 -5.666 2.005 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.391 -5.145 2.068 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.240 -5.398 3.288 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.037 -7.330 -5.199 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.366 -7.565 -5.758 1.00 0.36 C ATOM 716 C GLY A 43 -8.593 -9.006 -6.244 1.00 0.57 C ATOM 717 O GLY A 43 -9.706 -9.383 -6.623 1.00 -0.57 O ATOM 0 H GLY A 43 -6.457 -6.745 -5.801 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.114 -7.325 -5.003 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.524 -6.882 -6.592 1.00 0.36 H new ATOM 721 N LYS A 44 -7.548 -9.841 -6.201 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.674 -11.280 -6.390 1.00 0.36 C ATOM 723 C LYS A 44 -8.517 -11.889 -5.267 1.00 0.57 C ATOM 724 O LYS A 44 -9.159 -12.915 -5.487 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.278 -11.921 -6.430 1.00 0.00 C ATOM 726 CG LYS A 44 -6.194 -13.183 -7.313 1.00 0.00 C ATOM 727 CD LYS A 44 -5.411 -12.970 -8.625 1.00 0.00 C ATOM 728 CE LYS A 44 -6.317 -12.664 -9.827 1.00 0.50 C ATOM 729 NZ LYS A 44 -6.638 -13.879 -10.615 1.00 -0.85 N ATOM 0 H LYS A 44 -6.591 -9.531 -6.033 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.176 -11.475 -7.337 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.562 -11.185 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.979 -12.180 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.721 -13.983 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.204 -13.516 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.706 -12.149 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.823 -13.863 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.242 -12.207 -9.475 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.827 -11.935 -10.472 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -7.251 -13.622 -11.415 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.759 -14.302 -10.975 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -7.130 -14.566 -10.009 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.559 -11.248 -4.089 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.293 -11.766 -2.941 1.00 0.36 C ATOM 745 C GLU A 45 -10.528 -10.918 -2.607 1.00 0.57 C ATOM 746 O GLU A 45 -11.442 -11.433 -1.964 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.366 -11.891 -1.728 1.00 0.00 C ATOM 748 CG GLU A 45 -7.103 -12.742 -1.949 1.00 0.06 C ATOM 749 CD GLU A 45 -6.733 -13.517 -0.678 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.475 -12.851 0.311 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.776 -14.846 -0.723 1.00 -0.65 O ATOM 0 H GLU A 45 -8.086 -10.362 -3.913 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.658 -12.758 -3.207 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.061 -10.891 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.933 -12.320 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.270 -13.440 -2.769 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.273 -12.099 -2.241 1.00 0.06 H new ATOM 759 N ILE A 46 -10.601 -9.662 -3.078 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.742 -8.769 -2.855 1.00 0.36 C ATOM 761 C ILE A 46 -12.238 -8.244 -4.208 1.00 0.57 C ATOM 762 O ILE A 46 -11.444 -7.694 -4.966 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.402 -7.628 -1.863 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.170 -6.770 -2.237 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.227 -8.267 -0.481 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.047 -5.488 -1.413 1.00 0.00 C ATOM 0 H ILE A 46 -9.857 -9.236 -3.631 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.549 -9.330 -2.384 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.226 -6.914 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.268 -7.366 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.226 -6.509 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.986 -7.494 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.152 -8.765 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.418 -8.997 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.162 -4.936 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.933 -4.871 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.959 -5.742 -0.357 1.00 0.00 H new ATOM 778 N PRO A 47 -13.532 -8.377 -4.559 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.072 -7.927 -5.846 1.00 0.36 C ATOM 780 C PRO A 47 -14.193 -6.389 -5.962 1.00 0.57 C ATOM 781 O PRO A 47 -15.090 -5.861 -6.621 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.391 -8.694 -6.010 1.00 0.00 C ATOM 783 CG PRO A 47 -15.840 -9.025 -4.589 1.00 0.00 C ATOM 784 CD PRO A 47 -14.550 -9.058 -3.773 1.00 0.30 C ATOM 0 HA PRO A 47 -13.396 -8.149 -6.672 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.136 -8.090 -6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.249 -9.600 -6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.531 -8.274 -4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.358 -9.983 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.689 -8.564 -2.811 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.252 -10.085 -3.564 1.00 0.30 H new ATOM 792 N LEU A 48 -13.281 -5.655 -5.323 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.196 -4.206 -5.364 1.00 0.36 C ATOM 794 C LEU A 48 -12.484 -3.804 -6.659 1.00 0.57 C ATOM 795 O LEU A 48 -11.608 -4.522 -7.150 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.462 -3.736 -4.095 1.00 0.00 C ATOM 797 CG LEU A 48 -12.986 -2.404 -3.535 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.370 -2.143 -2.171 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.643 -1.195 -4.391 1.00 0.00 C ATOM 0 H LEU A 48 -12.556 -6.076 -4.742 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.176 -3.729 -5.372 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.554 -4.504 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.400 -3.634 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.070 -2.516 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.744 -1.198 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.638 -2.951 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.285 -2.093 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.048 -0.295 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.560 -1.104 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.075 -1.318 -5.384 1.00 0.00 H new ATOM 811 N HIS A 49 -12.892 -2.669 -7.226 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.363 -2.118 -8.468 1.00 0.36 C ATOM 813 C HIS A 49 -11.925 -0.672 -8.210 1.00 0.57 C ATOM 814 O HIS A 49 -12.284 -0.066 -7.201 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.442 -2.178 -9.561 1.00 0.17 C ATOM 816 CG HIS A 49 -13.935 -3.553 -9.965 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.446 -4.541 -9.147 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.079 -4.003 -11.252 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.852 -5.556 -9.923 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.681 -5.269 -11.226 1.00 -0.70 N ATOM 0 H HIS A 49 -13.625 -2.090 -6.817 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.505 -2.698 -8.808 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.300 -1.596 -9.223 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.052 -1.683 -10.450 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.504 -4.505 -8.129 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.778 -3.469 -12.141 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.263 -6.483 -9.551 1.00 0.65 H new ATOM 829 N PHE A 50 -11.157 -0.079 -9.123 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.555 1.227 -8.891 1.00 0.36 C ATOM 831 C PHE A 50 -10.681 2.051 -10.166 1.00 0.57 C ATOM 832 O PHE A 50 -10.822 1.494 -11.257 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.094 1.080 -8.413 1.00 0.14 C ATOM 834 CG PHE A 50 -8.793 -0.197 -7.642 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.138 -0.315 -6.280 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.254 -1.307 -8.322 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.959 -1.542 -5.615 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.098 -2.535 -7.661 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.453 -2.657 -6.308 1.00 -0.15 C ATOM 0 H PHE A 50 -10.938 -0.486 -10.032 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.079 1.752 -8.092 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.437 1.125 -9.282 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.847 1.934 -7.782 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.539 0.535 -5.748 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -7.960 -1.212 -9.357 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.211 -1.628 -4.568 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.704 -3.388 -8.194 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.338 -3.604 -5.801 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.626 3.377 -10.030 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.679 4.320 -11.140 1.00 0.36 C ATOM 851 C ARG A 51 -9.688 5.444 -10.878 1.00 0.57 C ATOM 852 O ARG A 51 -9.299 5.691 -9.740 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.106 4.881 -11.303 1.00 0.00 C ATOM 854 CG ARG A 51 -13.019 3.997 -12.172 1.00 0.00 C ATOM 855 CD ARG A 51 -14.142 3.321 -11.375 1.00 0.33 C ATOM 856 NE ARG A 51 -15.028 2.516 -12.243 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.964 2.970 -13.096 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.215 4.275 -13.218 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.658 2.113 -13.846 1.00 -0.97 N ATOM 0 H ARG A 51 -10.541 3.832 -9.121 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.413 3.810 -12.066 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.557 4.997 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.048 5.875 -11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.459 4.606 -12.962 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.416 3.231 -12.659 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.707 2.681 -10.607 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.730 4.081 -10.861 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.917 1.503 -12.189 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.693 4.949 -12.658 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.929 4.598 -13.871 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.480 1.111 -13.773 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -17.367 2.459 -14.492 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.321 6.159 -11.937 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.410 7.286 -11.858 1.00 0.36 C ATOM 875 C LYS A 52 -9.236 8.556 -12.046 1.00 0.57 C ATOM 876 O LYS A 52 -10.242 8.549 -12.765 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.319 7.116 -12.925 1.00 0.00 C ATOM 878 CG LYS A 52 -5.909 7.458 -12.425 1.00 0.00 C ATOM 879 CD LYS A 52 -4.881 7.042 -13.493 1.00 0.00 C ATOM 880 CE LYS A 52 -3.629 7.923 -13.499 1.00 0.50 C ATOM 881 NZ LYS A 52 -2.434 7.299 -12.892 1.00 -0.85 N ATOM 0 H LYS A 52 -9.654 5.967 -12.882 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.904 7.347 -10.895 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.329 6.086 -13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.556 7.751 -13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.830 8.526 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.707 6.941 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.588 6.006 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.351 7.082 -14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.397 8.195 -14.529 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.849 8.848 -12.967 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -1.618 7.935 -12.999 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.608 7.126 -11.881 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -2.234 6.396 -13.368 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.829 9.631 -11.378 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.516 10.919 -11.451 1.00 0.36 C ATOM 897 C VAL A 53 -8.928 11.757 -12.592 1.00 0.57 C ATOM 898 O VAL A 53 -7.871 11.431 -13.138 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.472 11.632 -10.081 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.067 10.727 -8.993 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.051 12.042 -9.684 1.00 0.00 C ATOM 0 H VAL A 53 -8.011 9.635 -10.769 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.571 10.767 -11.681 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.066 12.541 -10.175 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.030 11.241 -8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.103 10.493 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.491 9.803 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.073 12.539 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.420 11.155 -9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.647 12.724 -10.432 1.00 0.00 H new ATOM 911 N VAL A 54 -9.604 12.860 -12.923 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.173 13.800 -13.961 1.00 0.36 C ATOM 913 C VAL A 54 -8.743 15.147 -13.358 1.00 0.57 C ATOM 914 O VAL A 54 -8.127 15.958 -14.047 1.00 -0.57 O ATOM 915 CB VAL A 54 -10.282 13.960 -15.029 1.00 0.00 C ATOM 916 CG1 VAL A 54 -10.752 12.600 -15.572 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.507 14.738 -14.514 1.00 0.00 C ATOM 0 H VAL A 54 -10.478 13.129 -12.471 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.292 13.392 -14.456 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.822 14.537 -15.832 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.530 12.756 -16.319 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.910 12.080 -16.029 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.149 11.999 -14.754 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.249 14.816 -15.309 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.941 14.212 -13.664 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.200 15.737 -14.205 1.00 0.00 H new ATOM 927 N TRP A 55 -9.072 15.392 -12.079 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.740 16.632 -11.390 1.00 0.36 C ATOM 929 C TRP A 55 -7.412 16.449 -10.657 1.00 0.57 C ATOM 930 O TRP A 55 -6.419 17.055 -11.045 1.00 -0.57 O ATOM 931 CB TRP A 55 -9.893 17.049 -10.450 1.00 0.18 C ATOM 932 CG TRP A 55 -10.424 18.444 -10.613 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -9.721 19.538 -10.989 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -11.785 18.919 -10.362 1.00 0.00 C ATOM 935 NE1 TRP A 55 -10.551 20.641 -11.022 1.00 0.03 N ATOM 936 CE2 TRP A 55 -11.838 20.318 -10.645 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.976 18.313 -9.907 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -13.017 21.069 -10.499 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -14.161 19.056 -9.749 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -14.184 20.431 -10.047 1.00 -0.15 C ATOM 0 H TRP A 55 -9.579 14.725 -11.497 1.00 -0.73 H new ATOM 0 HA TRP A 55 -8.618 17.446 -12.105 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.718 16.352 -10.594 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -9.553 16.932 -9.421 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -8.668 19.547 -11.228 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -10.250 21.578 -11.291 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -12.978 17.258 -9.675 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -13.026 22.124 -10.731 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -15.058 18.568 -9.397 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -15.097 20.995 -9.928 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.373 15.576 -9.641 1.00 -0.73 N ATOM 952 CA GLY A 56 -6.173 15.346 -8.843 1.00 0.36 C ATOM 953 C GLY A 56 -6.481 14.905 -7.413 1.00 0.57 C ATOM 954 O GLY A 56 -5.658 14.250 -6.774 1.00 -0.57 O ATOM 0 H GLY A 56 -8.174 15.013 -9.354 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -5.561 14.585 -9.328 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -5.581 16.261 -8.815 1.00 0.36 H new ATOM 958 N THR A 57 -7.637 15.294 -6.877 1.00 -0.73 N ATOM 959 CA THR A 57 -8.149 14.830 -5.599 1.00 0.36 C ATOM 960 C THR A 57 -8.747 13.439 -5.811 1.00 0.57 C ATOM 961 O THR A 57 -9.586 13.260 -6.695 1.00 -0.57 O ATOM 962 CB THR A 57 -9.188 15.856 -5.108 1.00 0.28 C ATOM 963 OG1 THR A 57 -9.986 16.323 -6.185 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.481 17.086 -4.530 1.00 0.00 C ATOM 0 H THR A 57 -8.257 15.960 -7.337 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.373 14.748 -4.838 1.00 0.36 H new ATOM 0 HB THR A 57 -9.802 15.357 -4.358 1.00 0.28 H new ATOM 0 HG1 THR A 57 -10.640 16.972 -5.850 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -9.225 17.805 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.853 16.784 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.862 17.545 -5.300 1.00 0.00 H new ATOM 972 N ALA A 58 -8.303 12.452 -5.028 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.754 11.071 -5.125 1.00 0.36 C ATOM 974 C ALA A 58 -8.787 10.453 -3.734 1.00 0.57 C ATOM 975 O ALA A 58 -8.216 11.006 -2.789 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.813 10.278 -6.031 1.00 0.00 C ATOM 0 H ALA A 58 -7.607 12.599 -4.297 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.756 11.045 -5.554 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.157 9.246 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.804 10.724 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.805 10.298 -5.616 1.00 0.00 H new ATOM 982 N ASP A 59 -9.441 9.298 -3.610 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.513 8.531 -2.379 1.00 0.36 C ATOM 984 C ASP A 59 -8.104 8.060 -2.011 1.00 0.57 C ATOM 985 O ASP A 59 -7.656 8.313 -0.897 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.458 7.338 -2.551 1.00 0.06 C ATOM 987 CG ASP A 59 -11.912 7.687 -2.839 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.484 7.027 -3.691 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.517 8.590 -2.072 1.00 -0.65 O ATOM 0 H ASP A 59 -9.945 8.865 -4.384 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.907 9.154 -1.576 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.084 6.716 -3.364 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.421 6.734 -1.644 1.00 0.06 H new ATOM 995 N ILE A 60 -7.369 7.509 -2.980 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.041 6.932 -2.818 1.00 0.36 C ATOM 997 C ILE A 60 -5.053 7.842 -3.567 1.00 0.57 C ATOM 998 O ILE A 60 -4.687 7.589 -4.721 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.045 5.474 -3.335 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.100 4.557 -2.663 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.626 4.886 -3.252 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.354 3.253 -3.439 1.00 0.00 C ATOM 0 H ILE A 60 -7.703 7.453 -3.942 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.736 6.881 -1.773 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.356 5.513 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.769 4.313 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.038 5.103 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.636 3.859 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.949 5.482 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.287 4.899 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.102 2.658 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.715 3.490 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.426 2.687 -3.512 1.00 0.00 H new ATOM 1014 N MET A 61 -4.656 8.960 -2.954 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.553 9.741 -3.497 1.00 0.36 C ATOM 1016 C MET A 61 -2.249 9.003 -3.170 1.00 0.57 C ATOM 1017 O MET A 61 -2.068 8.571 -2.035 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.580 11.172 -2.947 1.00 0.00 C ATOM 1019 CG MET A 61 -2.479 12.060 -3.540 1.00 0.23 C ATOM 1020 SD MET A 61 -1.381 12.808 -2.305 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.229 14.391 -2.071 1.00 0.23 C ATOM 0 H MET A 61 -5.073 9.334 -2.102 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.639 9.837 -4.579 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.552 11.618 -3.157 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.471 11.141 -1.863 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.880 11.465 -4.229 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.944 12.854 -4.125 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.688 14.988 -1.337 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.266 14.928 -3.019 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.244 14.211 -1.716 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.345 8.869 -4.145 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.034 8.249 -3.950 1.00 0.36 C ATOM 1033 C ILE A 62 0.993 9.308 -4.339 1.00 0.57 C ATOM 1034 O ILE A 62 0.987 9.775 -5.475 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.096 6.943 -4.772 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.958 5.882 -4.379 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.495 6.323 -4.609 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.584 5.234 -5.620 1.00 0.00 C ATOM 0 H ILE A 62 -1.505 9.191 -5.099 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.122 7.940 -2.916 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.071 7.229 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.492 5.115 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.738 6.347 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.558 5.407 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.249 7.030 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.671 6.092 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.321 4.493 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.071 6.000 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.806 4.748 -6.209 1.00 0.00 H new ATOM 1050 N GLY A 63 1.861 9.709 -3.410 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.857 10.740 -3.676 1.00 0.36 C ATOM 1052 C GLY A 63 4.244 10.312 -3.235 1.00 0.57 C ATOM 1053 O GLY A 63 4.409 9.362 -2.479 1.00 -0.57 O ATOM 0 H GLY A 63 1.892 9.332 -2.463 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.869 10.967 -4.742 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.578 11.657 -3.157 1.00 0.36 H new ATOM 1057 N PHE A 64 5.255 11.020 -3.723 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.651 10.726 -3.461 1.00 0.36 C ATOM 1059 C PHE A 64 7.315 12.082 -3.220 1.00 0.57 C ATOM 1060 O PHE A 64 7.027 13.052 -3.933 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.304 9.917 -4.607 1.00 0.14 C ATOM 1062 CG PHE A 64 6.592 8.634 -5.037 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.356 8.714 -5.694 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.158 7.360 -4.821 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.676 7.565 -6.117 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.464 6.197 -5.218 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.223 6.300 -5.869 1.00 -0.15 C ATOM 0 H PHE A 64 5.120 11.832 -4.325 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.772 10.080 -2.591 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.387 10.568 -5.478 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.319 9.658 -4.305 1.00 0.14 H new ATOM 0 HD1 PHE A 64 4.918 9.684 -5.878 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.126 7.274 -4.350 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.732 7.654 -6.633 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.889 5.224 -5.021 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.695 5.410 -6.176 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.131 12.167 -2.168 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.800 13.390 -1.731 1.00 0.36 C ATOM 1079 C ALA A 65 10.105 13.025 -1.018 1.00 0.57 C ATOM 1080 O ALA A 65 10.468 11.858 -0.983 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.856 14.163 -0.804 1.00 0.00 C ATOM 0 H ALA A 65 8.350 11.362 -1.581 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.045 14.022 -2.585 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.343 15.079 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.942 14.414 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.610 13.547 0.061 1.00 0.00 H new ATOM 1087 N ARG A 66 10.814 13.995 -0.432 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.093 13.760 0.259 1.00 0.36 C ATOM 1089 C ARG A 66 12.084 14.254 1.711 1.00 0.57 C ATOM 1090 O ARG A 66 13.121 14.264 2.371 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.245 14.412 -0.535 1.00 0.00 C ATOM 1092 CG ARG A 66 13.126 15.948 -0.652 1.00 0.00 C ATOM 1093 CD ARG A 66 12.485 16.398 -1.972 1.00 0.33 C ATOM 1094 NE ARG A 66 12.117 17.828 -1.942 1.00 -0.84 N ATOM 1095 CZ ARG A 66 11.653 18.528 -2.990 1.00 1.20 C ATOM 1096 NH1 ARG A 66 11.456 17.929 -4.165 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 11.393 19.830 -2.851 1.00 -0.97 N ATOM 0 H ARG A 66 10.518 14.971 -0.422 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.246 12.682 0.303 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.191 14.165 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.274 13.981 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.534 16.326 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.118 16.392 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.179 16.218 -2.793 1.00 0.33 H new ATOM 0 HD3 ARG A 66 11.597 15.798 -2.168 1.00 0.33 H new ATOM 0 HE ARG A 66 12.224 18.323 -1.056 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 11.658 16.935 -4.271 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 11.103 18.465 -4.958 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 11.547 20.288 -1.953 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 11.040 20.367 -3.643 1.00 -0.97 H new ATOM 1111 N GLY A 67 10.941 14.760 2.177 1.00 -0.73 N ATOM 1112 CA GLY A 67 10.852 15.508 3.413 1.00 0.36 C ATOM 1113 C GLY A 67 9.483 16.167 3.501 1.00 0.57 C ATOM 1114 O GLY A 67 8.453 15.513 3.312 1.00 -0.57 O ATOM 0 H GLY A 67 10.048 14.656 1.696 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 11.005 14.846 4.265 1.00 0.36 H new ATOM 0 HA3 GLY A 67 11.636 16.264 3.452 1.00 0.36 H new ATOM 1118 N ALA A 68 9.459 17.463 3.802 1.00 -0.73 N ATOM 1119 CA ALA A 68 8.229 18.233 3.875 1.00 0.36 C ATOM 1120 C ALA A 68 7.564 18.309 2.496 1.00 0.57 C ATOM 1121 O ALA A 68 8.137 18.877 1.567 1.00 -0.57 O ATOM 1122 CB ALA A 68 8.555 19.619 4.424 1.00 0.00 C ATOM 0 H ALA A 68 10.298 18.007 4.002 1.00 -0.73 H new ATOM 0 HA ALA A 68 7.519 17.748 4.544 1.00 0.36 H new ATOM 0 HB1 ALA A 68 7.641 20.210 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.992 19.523 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.265 20.115 3.762 1.00 0.00 H new ATOM 1128 N HIS A 69 6.353 17.749 2.373 1.00 -0.73 N ATOM 1129 CA HIS A 69 5.593 17.733 1.124 1.00 0.36 C ATOM 1130 C HIS A 69 4.342 18.608 1.223 1.00 0.57 C ATOM 1131 O HIS A 69 4.131 19.451 0.354 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.272 16.291 0.678 1.00 0.17 C ATOM 1133 CG HIS A 69 4.976 15.253 1.745 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.846 14.772 2.706 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 3.842 14.489 1.827 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.226 13.782 3.373 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.002 13.570 2.868 1.00 -0.70 N ATOM 0 H HIS A 69 5.872 17.291 3.147 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.219 18.168 0.345 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.412 16.334 0.010 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.115 15.930 0.089 1.00 0.17 H new ATOM 0 HD1 HIS A 69 6.793 15.109 2.879 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 2.972 14.581 1.194 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.654 13.234 4.200 1.00 0.65 H new ATOM 1146 N GLY A 70 3.573 18.477 2.311 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.402 19.315 2.600 1.00 0.36 C ATOM 1148 C GLY A 70 1.182 18.529 3.086 1.00 0.57 C ATOM 1149 O GLY A 70 0.049 18.987 2.934 1.00 -0.57 O ATOM 0 H GLY A 70 3.750 17.773 3.028 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 2.672 20.052 3.357 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.131 19.867 1.700 1.00 0.36 H new ATOM 1153 N ASP A 71 1.421 17.342 3.641 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.430 16.333 3.990 1.00 0.36 C ATOM 1155 C ASP A 71 -0.069 16.500 5.431 1.00 0.57 C ATOM 1156 O ASP A 71 -1.270 16.603 5.692 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.181 15.009 3.811 1.00 0.06 C ATOM 1158 CG ASP A 71 0.601 13.865 4.614 1.00 0.66 C ATOM 1159 OD1 ASP A 71 -0.577 13.617 4.417 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.435 13.189 5.399 1.00 -0.65 O ATOM 0 H ASP A 71 2.369 17.044 3.872 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.466 16.399 3.372 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.176 14.739 2.755 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.223 15.151 4.098 1.00 0.06 H new ATOM 1166 N SER A 72 0.878 16.550 6.366 1.00 -0.73 N ATOM 1167 CA SER A 72 0.682 16.720 7.801 1.00 0.36 C ATOM 1168 C SER A 72 2.058 16.756 8.454 1.00 0.57 C ATOM 1169 O SER A 72 2.337 17.661 9.245 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.137 15.554 8.385 1.00 0.28 C ATOM 1171 OG SER A 72 -1.516 15.861 8.349 1.00 -0.68 O ATOM 0 H SER A 72 1.865 16.467 6.124 1.00 -0.73 H new ATOM 0 HA SER A 72 0.133 17.642 7.992 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.056 14.644 7.817 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.173 15.360 9.412 1.00 0.28 H new ATOM 0 HG SER A 72 -1.760 16.167 7.450 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.939 15.828 8.057 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.226 15.610 8.693 1.00 0.36 C ATOM 1179 C TYR A 73 5.311 15.549 7.616 1.00 0.57 C ATOM 1180 O TYR A 73 5.078 14.945 6.564 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.181 14.299 9.494 1.00 0.14 C ATOM 1182 CG TYR A 73 3.043 14.229 10.500 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.078 15.042 11.649 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.928 13.398 10.265 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.008 15.026 12.561 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.853 13.376 11.176 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.893 14.188 12.337 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.128 14.175 13.246 1.00 -0.53 O ATOM 0 H TYR A 73 2.765 15.202 7.271 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.453 16.428 9.377 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.091 13.464 8.800 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.127 14.174 10.021 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.930 15.680 11.831 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.898 12.776 9.383 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.039 15.657 13.437 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.001 12.741 10.990 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.822 13.549 12.950 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.491 16.150 7.851 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.612 15.992 6.949 1.00 0.36 C ATOM 1200 C PRO A 74 8.144 14.560 7.023 1.00 0.57 C ATOM 1201 O PRO A 74 8.223 13.963 8.098 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.648 17.034 7.382 1.00 0.00 C ATOM 1203 CG PRO A 74 8.318 17.360 8.838 1.00 0.00 C ATOM 1204 CD PRO A 74 6.858 16.942 9.017 1.00 0.30 C ATOM 0 HA PRO A 74 7.339 16.153 5.906 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.661 16.643 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.592 17.926 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.971 16.817 9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.453 18.422 9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.733 16.362 9.931 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.215 17.818 9.105 1.00 0.30 H new ATOM 1212 N PHE A 75 8.529 14.033 5.858 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.369 12.852 5.759 1.00 0.36 C ATOM 1214 C PHE A 75 10.783 13.131 6.296 1.00 0.57 C ATOM 1215 O PHE A 75 11.132 14.232 6.724 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.407 12.358 4.297 1.00 0.14 C ATOM 1217 CG PHE A 75 8.399 11.296 3.935 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.300 10.110 4.690 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.622 11.456 2.774 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.392 9.111 4.313 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 6.733 10.447 2.386 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.610 9.286 3.165 1.00 -0.15 C ATOM 0 H PHE A 75 8.261 14.422 4.954 1.00 -0.73 H new ATOM 0 HA PHE A 75 8.941 12.064 6.378 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.255 13.215 3.640 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.405 11.970 4.090 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.925 9.971 5.560 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 7.711 12.356 2.183 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.296 8.212 4.904 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.143 10.562 1.489 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.905 8.520 2.876 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.590 12.083 6.210 1.00 -0.73 N ATOM 1233 CA ASP A 76 12.930 11.844 6.722 1.00 0.36 C ATOM 1234 C ASP A 76 13.917 11.668 5.550 1.00 0.57 C ATOM 1235 O ASP A 76 15.085 12.050 5.691 1.00 -0.57 O ATOM 1236 CB ASP A 76 12.846 10.500 7.489 1.00 0.06 C ATOM 1237 CG ASP A 76 12.313 9.322 6.644 1.00 0.66 C ATOM 1238 OD1 ASP A 76 11.544 9.540 5.722 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.736 8.093 6.925 1.00 -0.65 O ATOM 0 H ASP A 76 11.268 11.259 5.702 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.270 12.671 7.346 1.00 0.36 H new ATOM 0 HB2 ASP A 76 13.838 10.245 7.863 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.201 10.630 8.358 1.00 0.06 H new ATOM 1245 N GLY A 77 13.481 11.130 4.403 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.330 10.922 3.239 1.00 0.36 C ATOM 1247 C GLY A 77 15.064 9.577 3.337 1.00 0.57 C ATOM 1248 O GLY A 77 14.439 8.575 3.696 1.00 -0.57 O ATOM 0 H GLY A 77 12.517 10.826 4.263 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 13.725 10.947 2.332 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.054 11.733 3.161 1.00 0.36 H new ATOM 1252 N PRO A 78 16.363 9.511 2.982 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.115 8.267 2.887 1.00 0.36 C ATOM 1254 C PRO A 78 17.435 7.676 4.270 1.00 0.57 C ATOM 1255 O PRO A 78 18.326 8.157 4.976 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.365 8.604 2.065 1.00 0.00 C ATOM 1257 CG PRO A 78 18.590 10.097 2.301 1.00 0.00 C ATOM 1258 CD PRO A 78 17.207 10.647 2.648 1.00 0.30 C ATOM 0 HA PRO A 78 16.538 7.482 2.399 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.224 8.017 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.214 8.388 1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.299 10.268 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 78 18.998 10.581 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.268 11.340 3.487 1.00 0.30 H new ATOM 0 HD3 PRO A 78 16.791 11.201 1.806 1.00 0.30 H new ATOM 1266 N GLY A 79 16.700 6.623 4.651 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.804 5.919 5.929 1.00 0.36 C ATOM 1268 C GLY A 79 15.432 5.910 6.602 1.00 0.57 C ATOM 1269 O GLY A 79 14.517 6.487 6.039 1.00 -0.57 O ATOM 0 H GLY A 79 15.984 6.222 4.045 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.153 4.899 5.770 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.536 6.409 6.571 1.00 0.36 H new ATOM 1273 N ASN A 80 15.295 5.316 7.799 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.060 5.251 8.610 1.00 0.36 C ATOM 1275 C ASN A 80 12.802 4.888 7.768 1.00 0.57 C ATOM 1276 O ASN A 80 12.922 4.204 6.751 1.00 -0.57 O ATOM 1277 CB ASN A 80 13.881 6.512 9.502 1.00 0.06 C ATOM 1278 CG ASN A 80 15.153 7.084 10.132 1.00 0.57 C ATOM 1279 OD1 ASN A 80 15.453 6.861 11.299 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 15.904 7.872 9.372 1.00 -0.80 N ATOM 0 H ASN A 80 16.078 4.844 8.252 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.178 4.417 9.302 1.00 0.36 H new ATOM 0 HB2 ASN A 80 13.416 7.293 8.900 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.183 6.268 10.303 1.00 0.06 H new ATOM 0 HD21 ASN A 80 16.745 8.302 9.758 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 15.640 8.047 8.402 1.00 -0.80 H new ATOM 1287 N THR A 81 11.598 5.270 8.231 1.00 -0.73 N ATOM 1288 CA THR A 81 10.286 5.041 7.604 1.00 0.36 C ATOM 1289 C THR A 81 10.320 5.343 6.102 1.00 0.57 C ATOM 1290 O THR A 81 10.593 6.471 5.729 1.00 -0.57 O ATOM 1291 CB THR A 81 9.275 5.978 8.296 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.314 5.791 9.698 1.00 -0.68 O ATOM 1293 CG2 THR A 81 7.820 5.816 7.841 1.00 0.00 C ATOM 0 H THR A 81 11.511 5.780 9.110 1.00 -0.73 H new ATOM 0 HA THR A 81 10.005 3.994 7.719 1.00 0.36 H new ATOM 0 HB THR A 81 9.590 6.980 8.005 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.669 6.392 10.126 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.188 6.518 8.385 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.749 6.017 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.487 4.798 8.042 1.00 0.00 H new ATOM 1301 N LEU A 82 10.020 4.373 5.238 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.197 4.459 3.792 1.00 0.36 C ATOM 1303 C LEU A 82 8.969 5.033 3.067 1.00 0.57 C ATOM 1304 O LEU A 82 9.081 5.553 1.952 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.493 3.051 3.247 1.00 0.00 C ATOM 1306 CG LEU A 82 11.773 2.378 3.793 1.00 0.00 C ATOM 1307 CD1 LEU A 82 11.663 1.683 5.160 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.185 1.296 2.797 1.00 0.00 C ATOM 0 H LEU A 82 9.635 3.477 5.537 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.025 5.142 3.604 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.642 2.408 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.570 3.110 2.161 1.00 0.00 H new ATOM 0 HG LEU A 82 12.483 3.195 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.628 1.252 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.368 2.411 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.915 0.892 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.088 0.799 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.382 0.565 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.379 1.751 1.826 1.00 0.00 H new ATOM 1320 N ALA A 83 7.788 4.893 3.679 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.512 5.351 3.158 1.00 0.36 C ATOM 1322 C ALA A 83 5.504 5.383 4.310 1.00 0.57 C ATOM 1323 O ALA A 83 5.748 4.788 5.360 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.045 4.413 2.037 1.00 0.00 C ATOM 0 H ALA A 83 7.700 4.438 4.588 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.605 6.352 2.737 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.087 4.759 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.783 4.410 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.933 3.403 2.431 1.00 0.00 H new ATOM 1330 N HIS A 84 4.376 6.065 4.129 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.301 6.082 5.116 1.00 0.36 C ATOM 1332 C HIS A 84 1.953 6.237 4.417 1.00 0.57 C ATOM 1333 O HIS A 84 1.892 6.736 3.292 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.553 7.162 6.190 1.00 0.17 C ATOM 1335 CG HIS A 84 3.688 8.607 5.748 1.00 0.18 C ATOM 1336 ND1 HIS A 84 3.959 9.670 6.584 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.600 9.125 4.481 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.033 10.785 5.839 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.818 10.502 4.546 1.00 -0.70 N ATOM 0 H HIS A 84 4.182 6.620 3.296 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.281 5.129 5.645 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.736 7.111 6.909 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.465 6.892 6.723 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.082 9.618 7.595 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 3.396 8.561 3.583 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.237 11.772 6.227 1.00 0.65 H new ATOM 1348 N ALA A 85 0.873 5.839 5.101 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.482 5.824 4.574 1.00 0.36 C ATOM 1350 C ALA A 85 -1.480 6.024 5.709 1.00 0.57 C ATOM 1351 O ALA A 85 -1.197 5.679 6.864 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.747 4.476 3.893 1.00 0.00 C ATOM 0 H ALA A 85 0.928 5.510 6.065 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.596 6.630 3.849 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.762 4.462 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.037 4.334 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.630 3.672 4.620 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.668 6.525 5.363 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.745 6.767 6.319 1.00 0.36 C ATOM 1360 C PHE A 86 -4.857 5.733 6.149 1.00 0.57 C ATOM 1361 O PHE A 86 -4.855 4.943 5.209 1.00 -0.57 O ATOM 1362 CB PHE A 86 -4.258 8.204 6.164 1.00 0.14 C ATOM 1363 CG PHE A 86 -3.156 9.231 6.293 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -2.448 9.371 7.504 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.771 9.980 5.168 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -1.356 10.252 7.583 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.670 10.839 5.245 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.967 10.985 6.451 1.00 -0.15 C ATOM 0 H PHE A 86 -2.909 6.775 4.404 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.365 6.656 7.334 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.738 8.312 5.191 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -5.020 8.397 6.919 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -2.745 8.801 8.372 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.325 9.892 4.245 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 -0.817 10.365 8.512 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.359 11.393 4.372 1.00 -0.15 H new ATOM 0 HZ PHE A 86 -0.127 11.661 6.508 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.815 5.742 7.076 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.970 4.860 7.028 1.00 0.36 C ATOM 1380 C ALA A 87 -8.100 5.547 6.266 1.00 0.57 C ATOM 1381 O ALA A 87 -8.310 6.740 6.486 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.423 4.570 8.449 1.00 0.00 C ATOM 0 H ALA A 87 -5.807 6.366 7.883 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.708 3.930 6.524 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.289 3.909 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.613 4.089 8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.692 5.504 8.943 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.842 4.830 5.407 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.917 5.415 4.625 1.00 0.36 C ATOM 1390 C PRO A 88 -11.093 5.858 5.500 1.00 0.57 C ATOM 1391 O PRO A 88 -11.256 5.388 6.625 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.295 4.340 3.613 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.883 3.023 4.246 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.716 3.402 5.151 1.00 0.30 C ATOM 0 HA PRO A 88 -9.608 6.333 4.125 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.365 4.357 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.782 4.497 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.701 2.579 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.584 2.294 3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.747 2.836 6.082 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.763 3.176 4.672 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.915 6.769 4.960 1.00 -0.73 N ATOM 1403 CA GLY A 89 -13.089 7.308 5.648 1.00 0.36 C ATOM 1404 C GLY A 89 -12.926 8.765 6.099 1.00 0.57 C ATOM 1405 O GLY A 89 -13.722 9.238 6.904 1.00 -0.57 O ATOM 0 H GLY A 89 -11.779 7.154 4.025 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.952 7.237 4.986 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -13.304 6.689 6.519 1.00 0.36 H new ATOM 1409 N THR A 90 -11.899 9.492 5.631 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.613 10.845 6.119 1.00 0.36 C ATOM 1411 C THR A 90 -10.881 11.694 5.064 1.00 0.57 C ATOM 1412 O THR A 90 -9.907 12.376 5.360 1.00 -0.57 O ATOM 1413 CB THR A 90 -10.947 10.770 7.516 1.00 0.28 C ATOM 1414 OG1 THR A 90 -10.878 12.054 8.103 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -9.568 10.097 7.538 1.00 0.00 C ATOM 0 H THR A 90 -11.253 9.162 4.914 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.542 11.394 6.271 1.00 0.36 H new ATOM 0 HB THR A 90 -11.594 10.122 8.106 1.00 0.28 H new ATOM 0 HG1 THR A 90 -10.485 12.685 7.464 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.182 10.091 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.658 9.072 7.178 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.883 10.649 6.894 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.330 11.627 3.800 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.863 12.442 2.669 1.00 0.36 C ATOM 1425 C GLY A 91 -9.393 12.231 2.292 1.00 0.57 C ATOM 1426 O GLY A 91 -9.114 11.620 1.263 1.00 -0.57 O ATOM 0 H GLY A 91 -12.063 10.972 3.527 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -11.482 12.221 1.800 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -11.015 13.494 2.910 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.470 12.711 3.135 1.00 -0.73 N ATOM 1431 CA LEU A 92 -7.050 12.343 3.172 1.00 0.36 C ATOM 1432 C LEU A 92 -6.847 10.937 3.777 1.00 0.57 C ATOM 1433 O LEU A 92 -5.730 10.431 3.862 1.00 -0.57 O ATOM 1434 CB LEU A 92 -6.310 13.363 4.051 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.784 13.401 3.806 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -4.432 14.464 2.757 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.069 13.697 5.128 1.00 0.00 C ATOM 0 H LEU A 92 -8.707 13.403 3.846 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.665 12.339 2.152 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.723 14.355 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.495 13.129 5.099 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.457 12.433 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.354 14.476 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.934 14.229 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.758 15.443 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.992 13.725 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.402 14.661 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.304 12.916 5.851 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.920 10.315 4.262 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.904 8.931 4.676 1.00 0.36 C ATOM 1451 C GLY A 93 -7.654 8.022 3.482 1.00 0.57 C ATOM 1452 O GLY A 93 -8.402 8.104 2.513 1.00 -0.57 O ATOM 0 H GLY A 93 -8.827 10.768 4.376 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.128 8.778 5.426 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.854 8.674 5.144 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.653 7.144 3.585 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.229 6.203 2.557 1.00 0.36 C ATOM 1458 C GLY A 94 -4.914 6.649 1.921 1.00 0.57 C ATOM 1459 O GLY A 94 -4.014 5.829 1.707 1.00 -0.57 O ATOM 0 H GLY A 94 -6.091 7.070 4.433 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.109 5.211 2.993 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.000 6.123 1.791 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.827 7.945 1.616 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.759 8.604 0.876 1.00 0.36 C ATOM 1465 C ASP A 95 -2.416 8.247 1.508 1.00 0.57 C ATOM 1466 O ASP A 95 -2.300 8.103 2.730 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.981 10.138 0.879 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.402 10.533 0.450 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -6.330 10.094 1.109 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.641 11.296 -0.613 1.00 -0.65 O ATOM 0 H ASP A 95 -5.552 8.603 1.901 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.763 8.264 -0.160 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.786 10.527 1.878 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -3.260 10.606 0.209 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.404 8.091 0.659 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.124 7.547 1.041 1.00 0.36 C ATOM 1478 C ALA A 96 0.981 8.302 0.328 1.00 0.57 C ATOM 1479 O ALA A 96 0.814 8.786 -0.796 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.083 6.051 0.702 1.00 0.00 C ATOM 0 H ALA A 96 -1.461 8.346 -0.327 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.024 7.659 2.115 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.884 5.639 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.874 5.533 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.230 5.917 -0.370 1.00 0.00 H new ATOM 1486 N HIS A 97 2.140 8.370 0.977 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.308 9.023 0.412 1.00 0.36 C ATOM 1488 C HIS A 97 4.530 8.141 0.646 1.00 0.57 C ATOM 1489 O HIS A 97 4.496 7.249 1.494 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.468 10.464 0.938 1.00 0.17 C ATOM 1491 CG HIS A 97 2.192 11.277 0.960 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.538 11.739 2.091 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.436 11.613 -0.128 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.375 12.281 1.685 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.304 12.237 0.342 1.00 -0.70 N ATOM 0 H HIS A 97 2.292 7.975 1.905 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.185 9.137 -0.665 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.874 10.424 1.949 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.202 10.982 0.320 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.681 11.424 -1.163 1.00 0.20 H new ATOM 0 HE1 HIS A 97 -0.384 12.688 2.336 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.458 12.603 -0.229 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.605 8.407 -0.099 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.829 7.617 -0.169 1.00 0.36 C ATOM 1506 C PHE A 98 8.039 8.558 -0.215 1.00 0.57 C ATOM 1507 O PHE A 98 7.914 9.709 -0.649 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.802 6.790 -1.466 1.00 0.14 C ATOM 1509 CG PHE A 98 5.777 5.671 -1.531 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.409 5.951 -1.726 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.194 4.334 -1.402 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.464 4.911 -1.708 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.253 3.292 -1.422 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.890 3.585 -1.570 1.00 -0.15 C ATOM 0 H PHE A 98 5.643 9.228 -0.703 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.900 6.965 0.702 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.621 7.468 -2.300 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.791 6.357 -1.616 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.086 6.969 -1.890 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.244 4.108 -1.287 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.411 5.134 -1.800 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.579 2.267 -1.324 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.166 2.784 -1.578 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.221 8.059 0.157 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.474 8.794 -0.006 1.00 0.36 C ATOM 1526 C ASP A 99 11.043 8.605 -1.420 1.00 0.57 C ATOM 1527 O ASP A 99 11.669 7.584 -1.684 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.511 8.321 1.015 1.00 0.06 C ATOM 1529 CG ASP A 99 11.210 8.817 2.415 1.00 0.66 C ATOM 1530 OD1 ASP A 99 10.986 7.955 3.249 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.286 10.128 2.627 1.00 -0.65 O ATOM 0 H ASP A 99 9.334 7.137 0.578 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.258 9.850 0.154 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.544 7.232 1.018 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.499 8.669 0.714 1.00 0.06 H new ATOM 1537 N GLU A 100 10.905 9.577 -2.334 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.589 9.570 -3.641 1.00 0.36 C ATOM 1539 C GLU A 100 13.116 9.504 -3.467 1.00 0.57 C ATOM 1540 O GLU A 100 13.813 8.975 -4.328 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.221 10.820 -4.480 1.00 0.00 C ATOM 1542 CG GLU A 100 11.588 10.688 -5.983 1.00 0.06 C ATOM 1543 CD GLU A 100 12.289 11.913 -6.616 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.375 12.248 -6.173 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.787 12.462 -7.719 1.00 -0.65 O ATOM 0 H GLU A 100 10.313 10.395 -2.189 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.251 8.680 -4.171 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.151 11.005 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.731 11.689 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.236 9.820 -6.104 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.675 10.486 -6.544 1.00 0.06 H new ATOM 1553 N ASP A 101 13.633 10.032 -2.348 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.064 10.034 -2.039 1.00 0.36 C ATOM 1555 C ASP A 101 15.588 8.615 -1.783 1.00 0.57 C ATOM 1556 O ASP A 101 16.767 8.331 -2.012 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.330 10.929 -0.813 1.00 0.06 C ATOM 1558 CG ASP A 101 16.673 11.675 -0.865 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.623 11.171 -1.442 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.704 12.862 -0.265 1.00 -0.65 O ATOM 0 H ASP A 101 13.061 10.473 -1.628 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.597 10.431 -2.903 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.524 11.658 -0.726 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.302 10.314 0.086 1.00 0.06 H new ATOM 1566 N GLU A 102 14.720 7.700 -1.331 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.109 6.311 -1.181 1.00 0.36 C ATOM 1568 C GLU A 102 15.242 5.666 -2.555 1.00 0.57 C ATOM 1569 O GLU A 102 14.440 5.885 -3.463 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.151 5.539 -0.260 1.00 0.00 C ATOM 1571 CG GLU A 102 14.402 6.004 1.184 1.00 0.06 C ATOM 1572 CD GLU A 102 13.911 5.046 2.260 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.447 5.534 3.277 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 14.168 3.753 2.084 1.00 -0.65 O ATOM 0 H GLU A 102 13.756 7.904 -1.068 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.081 6.272 -0.690 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.116 5.725 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.319 4.466 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.472 6.161 1.319 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.917 6.969 1.329 1.00 0.06 H new ATOM 1582 N ARG A 103 16.284 4.847 -2.709 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.462 4.040 -3.903 1.00 0.36 C ATOM 1584 C ARG A 103 15.363 2.979 -3.931 1.00 0.57 C ATOM 1585 O ARG A 103 15.363 2.056 -3.117 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.869 3.428 -3.971 1.00 0.00 C ATOM 1587 CG ARG A 103 18.355 2.708 -2.695 1.00 0.00 C ATOM 1588 CD ARG A 103 19.278 3.554 -1.807 1.00 0.33 C ATOM 1589 NE ARG A 103 20.580 2.892 -1.600 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.561 2.771 -2.508 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.413 3.235 -3.751 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.694 2.172 -2.153 1.00 -0.97 N ATOM 0 H ARG A 103 17.019 4.729 -2.012 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.375 4.667 -4.790 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.895 2.718 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 103 18.578 4.221 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.487 2.403 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.881 1.798 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.433 4.530 -2.267 1.00 0.33 H new ATOM 0 HD3 ARG A 103 18.799 3.728 -0.843 1.00 0.33 H new ATOM 0 HE ARG A 103 20.751 2.488 -0.679 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.543 3.691 -4.025 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.170 3.134 -4.427 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.806 1.814 -1.205 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 23.451 2.071 -2.829 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.446 3.099 -4.884 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.462 2.072 -5.172 1.00 0.36 C ATOM 1608 C TRP A 104 14.003 1.186 -6.298 1.00 0.57 C ATOM 1609 O TRP A 104 14.858 1.625 -7.066 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.150 2.756 -5.564 1.00 0.18 C ATOM 1611 CG TRP A 104 11.562 3.643 -4.505 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.744 4.980 -4.424 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.829 3.281 -3.289 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.212 5.452 -3.248 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.651 4.452 -2.496 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.374 2.072 -2.727 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.075 4.435 -1.219 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.793 2.041 -1.444 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.639 3.215 -0.688 1.00 -0.15 C ATOM 0 H TRP A 104 14.367 3.921 -5.482 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.271 1.441 -4.304 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.320 3.350 -6.462 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.420 1.989 -5.823 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.234 5.586 -5.171 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.232 6.432 -2.967 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.472 1.155 -3.288 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.969 5.349 -0.653 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.460 1.099 -1.035 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.189 3.177 0.293 1.00 -0.15 H new ATOM 1630 N THR A 105 13.489 -0.036 -6.420 1.00 -0.73 N ATOM 1631 CA THR A 105 13.799 -0.940 -7.525 1.00 0.36 C ATOM 1632 C THR A 105 12.512 -1.681 -7.918 1.00 0.57 C ATOM 1633 O THR A 105 11.609 -1.814 -7.087 1.00 -0.57 O ATOM 1634 CB THR A 105 14.974 -1.848 -7.104 1.00 0.28 C ATOM 1635 OG1 THR A 105 15.517 -2.537 -8.203 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.646 -2.868 -6.015 1.00 0.00 C ATOM 0 H THR A 105 12.836 -0.432 -5.744 1.00 -0.73 H new ATOM 0 HA THR A 105 14.133 -0.417 -8.421 1.00 0.36 H new ATOM 0 HB THR A 105 15.698 -1.149 -6.685 1.00 0.28 H new ATOM 0 HG1 THR A 105 16.259 -3.101 -7.901 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.535 -3.457 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.318 -2.347 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.851 -3.528 -6.362 1.00 0.00 H new ATOM 1644 N ASP A 106 12.391 -2.127 -9.174 1.00 -0.73 N ATOM 1645 CA ASP A 106 11.245 -2.918 -9.643 1.00 0.36 C ATOM 1646 C ASP A 106 11.300 -4.325 -9.053 1.00 0.57 C ATOM 1647 O ASP A 106 10.264 -4.880 -8.692 1.00 -0.57 O ATOM 1648 CB ASP A 106 11.203 -3.004 -11.186 1.00 0.06 C ATOM 1649 CG ASP A 106 12.441 -3.654 -11.825 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.269 -4.508 -12.679 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 13.625 -3.230 -11.393 1.00 -0.65 O ATOM 0 H ASP A 106 13.088 -1.949 -9.897 1.00 -0.73 H new ATOM 0 HA ASP A 106 10.339 -2.414 -9.307 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.319 -3.569 -11.481 1.00 0.06 H new ATOM 0 HB3 ASP A 106 11.088 -1.998 -11.590 1.00 0.06 H new ATOM 1657 N GLY A 107 12.510 -4.877 -8.913 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.724 -6.245 -8.473 1.00 0.36 C ATOM 1659 C GLY A 107 13.582 -6.262 -7.214 1.00 0.57 C ATOM 1660 O GLY A 107 13.068 -6.074 -6.115 1.00 -0.57 O ATOM 0 H GLY A 107 13.375 -4.373 -9.107 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.766 -6.726 -8.276 1.00 0.36 H new ATOM 0 HA3 GLY A 107 13.211 -6.817 -9.262 1.00 0.36 H new ATOM 1664 N SER A 108 14.889 -6.482 -7.372 1.00 -0.73 N ATOM 1665 CA SER A 108 15.844 -6.475 -6.273 1.00 0.36 C ATOM 1666 C SER A 108 17.229 -6.214 -6.862 1.00 0.57 C ATOM 1667 O SER A 108 17.564 -6.761 -7.917 1.00 -0.57 O ATOM 1668 CB SER A 108 15.791 -7.818 -5.534 1.00 0.28 C ATOM 1669 OG SER A 108 16.576 -7.783 -4.356 1.00 -0.68 O ATOM 0 H SER A 108 15.314 -6.672 -8.279 1.00 -0.73 H new ATOM 0 HA SER A 108 15.606 -5.695 -5.549 1.00 0.36 H new ATOM 0 HB2 SER A 108 14.758 -8.056 -5.280 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.149 -8.612 -6.190 1.00 0.28 H new ATOM 0 HG SER A 108 16.524 -8.650 -3.902 1.00 -0.68 H new ATOM 1675 N SER A 109 18.027 -5.389 -6.174 1.00 -0.73 N ATOM 1676 CA SER A 109 19.413 -5.130 -6.549 1.00 0.36 C ATOM 1677 C SER A 109 20.172 -4.487 -5.385 1.00 0.57 C ATOM 1678 O SER A 109 21.236 -4.988 -5.021 1.00 -0.57 O ATOM 1679 CB SER A 109 19.456 -4.238 -7.808 1.00 0.28 C ATOM 1680 OG SER A 109 20.717 -4.322 -8.440 1.00 -0.68 O ATOM 0 H SER A 109 17.725 -4.884 -5.341 1.00 -0.73 H new ATOM 0 HA SER A 109 19.904 -6.075 -6.781 1.00 0.36 H new ATOM 0 HB2 SER A 109 18.675 -4.545 -8.503 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.250 -3.203 -7.533 1.00 0.28 H new ATOM 0 HG SER A 109 20.723 -3.751 -9.236 1.00 -0.68 H new ATOM 1686 N LEU A 110 19.621 -3.407 -4.798 1.00 -0.73 N ATOM 1687 CA LEU A 110 20.241 -2.582 -3.748 1.00 0.36 C ATOM 1688 C LEU A 110 19.181 -1.770 -2.993 1.00 0.57 C ATOM 1689 O LEU A 110 19.254 -1.638 -1.768 1.00 -0.57 O ATOM 1690 CB LEU A 110 21.204 -1.549 -4.379 1.00 0.00 C ATOM 1691 CG LEU A 110 22.613 -2.057 -4.739 1.00 0.00 C ATOM 1692 CD1 LEU A 110 23.259 -1.094 -5.739 1.00 0.00 C ATOM 1693 CD2 LEU A 110 23.493 -2.193 -3.488 1.00 0.00 C ATOM 0 H LEU A 110 18.692 -3.073 -5.055 1.00 -0.73 H new ATOM 0 HA LEU A 110 20.764 -3.262 -3.076 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.740 -1.158 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.309 -0.713 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 110 22.522 -3.046 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 110 24.256 -1.451 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.649 -1.043 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 110 23.332 -0.102 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 110 24.481 -2.553 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.588 -1.222 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 110 23.036 -2.901 -2.797 1.00 0.00 H new ATOM 1705 N GLY A 111 18.243 -1.169 -3.730 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.108 -0.463 -3.167 1.00 0.36 C ATOM 1707 C GLY A 111 16.016 -1.442 -2.767 1.00 0.57 C ATOM 1708 O GLY A 111 16.125 -2.641 -3.033 1.00 -0.57 O ATOM 0 H GLY A 111 18.259 -1.164 -4.750 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.425 0.112 -2.297 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.718 0.249 -3.895 1.00 0.36 H new ATOM 1712 N ILE A 112 14.974 -0.931 -2.112 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.840 -1.759 -1.732 1.00 0.36 C ATOM 1714 C ILE A 112 12.870 -1.881 -2.908 1.00 0.57 C ATOM 1715 O ILE A 112 12.732 -0.963 -3.722 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.142 -1.254 -0.457 1.00 0.00 C ATOM 1717 CG1 ILE A 112 12.288 0.021 -0.606 1.00 0.00 C ATOM 1718 CG2 ILE A 112 14.130 -1.170 0.720 1.00 0.00 C ATOM 1719 CD1 ILE A 112 13.055 1.311 -0.910 1.00 0.00 C ATOM 0 H ILE A 112 14.896 0.048 -1.837 1.00 -0.73 H new ATOM 0 HA ILE A 112 14.215 -2.753 -1.487 1.00 0.36 H new ATOM 0 HB ILE A 112 12.395 -2.017 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.562 -0.143 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.723 0.166 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.609 -0.810 1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 112 14.545 -2.158 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 112 14.937 -0.482 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.353 2.141 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.761 1.513 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.597 1.199 -1.849 1.00 0.00 H new ATOM 1731 N ASN A 113 12.190 -3.027 -2.980 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.228 -3.314 -4.030 1.00 0.36 C ATOM 1733 C ASN A 113 10.035 -2.351 -3.910 1.00 0.57 C ATOM 1734 O ASN A 113 9.289 -2.397 -2.926 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.836 -4.798 -3.941 1.00 0.06 C ATOM 1736 CG ASN A 113 9.892 -5.212 -5.059 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.933 -4.514 -5.329 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 10.100 -6.348 -5.696 1.00 -0.80 N ATOM 0 H ASN A 113 12.297 -3.783 -2.304 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.653 -3.151 -5.020 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.735 -5.412 -3.981 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.362 -4.990 -2.978 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.453 -6.650 -6.424 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.908 -6.924 -5.460 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.862 -1.483 -4.915 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.760 -0.526 -5.003 1.00 0.36 C ATOM 1747 C PHE A 114 7.410 -1.229 -5.045 1.00 0.57 C ATOM 1748 O PHE A 114 6.460 -0.768 -4.425 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.903 0.337 -6.270 1.00 0.14 C ATOM 1750 CG PHE A 114 7.603 0.988 -6.704 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 7.048 2.020 -5.925 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 6.875 0.447 -7.782 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.750 2.483 -6.200 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 5.577 0.911 -8.054 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.011 1.916 -7.253 1.00 -0.15 C ATOM 0 H PHE A 114 10.502 -1.428 -5.707 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.805 0.100 -4.112 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.647 1.113 -6.090 1.00 0.14 H new ATOM 0 HB3 PHE A 114 9.279 -0.284 -7.083 1.00 0.14 H new ATOM 0 HD1 PHE A 114 7.618 2.455 -5.118 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 7.314 -0.323 -8.399 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 5.320 3.274 -5.603 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 5.016 0.495 -8.878 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.004 2.255 -7.447 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.320 -2.325 -5.789 1.00 -0.73 N ATOM 1766 CA LEU A 115 6.111 -3.112 -5.953 1.00 0.36 C ATOM 1767 C LEU A 115 5.647 -3.597 -4.575 1.00 0.57 C ATOM 1768 O LEU A 115 4.473 -3.440 -4.227 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.453 -4.273 -6.915 1.00 0.00 C ATOM 1770 CG LEU A 115 5.663 -4.299 -8.217 1.00 0.00 C ATOM 1771 CD1 LEU A 115 6.349 -5.285 -9.168 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.199 -4.696 -8.036 1.00 0.00 C ATOM 0 H LEU A 115 8.113 -2.699 -6.310 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.289 -2.537 -6.380 1.00 0.36 H new ATOM 0 HB2 LEU A 115 7.515 -4.222 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.290 -5.215 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 115 5.654 -3.286 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.802 -5.323 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.372 -4.958 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.362 -6.277 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.699 -4.693 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.144 -5.694 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.708 -3.984 -7.372 1.00 0.00 H new ATOM 1784 N TYR A 116 6.575 -4.141 -3.777 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.314 -4.604 -2.413 1.00 0.36 C ATOM 1786 C TYR A 116 5.830 -3.435 -1.544 1.00 0.57 C ATOM 1787 O TYR A 116 4.909 -3.591 -0.742 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.594 -5.257 -1.849 1.00 0.14 C ATOM 1789 CG TYR A 116 7.381 -6.352 -0.817 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.877 -7.600 -1.231 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.759 -6.170 0.530 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.745 -8.654 -0.311 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.622 -7.216 1.460 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.117 -8.470 1.040 1.00 0.08 C ATOM 1795 OH TYR A 116 6.990 -9.499 1.924 1.00 -0.53 O ATOM 0 H TYR A 116 7.544 -4.273 -4.068 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.522 -5.353 -2.413 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.163 -5.674 -2.680 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.209 -4.477 -1.401 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.590 -7.748 -2.262 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.157 -5.218 0.850 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.358 -9.608 -0.637 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.901 -7.063 2.492 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.290 -9.208 2.810 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.420 -2.250 -1.735 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.095 -1.048 -0.977 1.00 0.36 C ATOM 1807 C ALA A 117 4.735 -0.476 -1.337 1.00 0.57 C ATOM 1808 O ALA A 117 3.936 -0.213 -0.441 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.194 -0.018 -1.209 1.00 0.00 C ATOM 0 H ALA A 117 7.148 -2.102 -2.434 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.039 -1.313 0.079 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.967 0.889 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.149 -0.423 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.254 0.217 -2.272 1.00 0.00 H new ATOM 1815 N ALA A 118 4.448 -0.322 -2.633 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.141 0.089 -3.106 1.00 0.36 C ATOM 1817 C ALA A 118 2.108 -0.869 -2.539 1.00 0.57 C ATOM 1818 O ALA A 118 1.186 -0.424 -1.878 1.00 -0.57 O ATOM 1819 CB ALA A 118 3.105 0.145 -4.633 1.00 0.00 C ATOM 0 H ALA A 118 5.125 -0.482 -3.379 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.913 1.098 -2.762 1.00 0.36 H new ATOM 0 HB1 ALA A 118 2.114 0.456 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.846 0.861 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.329 -0.842 -5.039 1.00 0.00 H new ATOM 1825 N THR A 119 2.313 -2.175 -2.686 1.00 -0.73 N ATOM 1826 CA THR A 119 1.409 -3.193 -2.160 1.00 0.36 C ATOM 1827 C THR A 119 1.197 -3.039 -0.653 1.00 0.57 C ATOM 1828 O THR A 119 0.059 -3.144 -0.195 1.00 -0.57 O ATOM 1829 CB THR A 119 1.970 -4.571 -2.516 1.00 0.28 C ATOM 1830 OG1 THR A 119 2.227 -4.546 -3.897 1.00 -0.68 O ATOM 1831 CG2 THR A 119 1.006 -5.721 -2.228 1.00 0.00 C ATOM 0 H THR A 119 3.119 -2.560 -3.178 1.00 -0.73 H new ATOM 0 HA THR A 119 0.426 -3.074 -2.615 1.00 0.36 H new ATOM 0 HB THR A 119 2.855 -4.751 -1.906 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.901 -5.222 -4.117 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.473 -6.666 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.763 -5.735 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 119 0.093 -5.584 -2.807 1.00 0.00 H new ATOM 1839 N HIS A 120 2.262 -2.742 0.104 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.144 -2.474 1.528 1.00 0.36 C ATOM 1841 C HIS A 120 1.242 -1.249 1.763 1.00 0.57 C ATOM 1842 O HIS A 120 0.231 -1.356 2.459 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.541 -2.355 2.170 1.00 0.17 C ATOM 1844 CG HIS A 120 3.545 -2.216 3.677 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.220 -3.006 4.589 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.884 -1.267 4.397 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.963 -2.538 5.827 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.138 -1.481 5.729 1.00 -0.70 N ATOM 0 H HIS A 120 3.215 -2.683 -0.256 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.656 -3.311 2.027 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.124 -3.236 1.900 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.049 -1.492 1.740 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.811 -3.806 4.364 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.266 -0.481 3.990 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.356 -2.946 6.747 1.00 0.65 H new ATOM 1857 N GLU A 121 1.572 -0.082 1.202 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.829 1.144 1.513 1.00 0.36 C ATOM 1859 C GLU A 121 -0.601 1.094 0.959 1.00 0.57 C ATOM 1860 O GLU A 121 -1.550 1.512 1.624 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.551 2.378 0.959 1.00 0.00 C ATOM 1862 CG GLU A 121 3.000 2.568 1.434 1.00 0.06 C ATOM 1863 CD GLU A 121 3.173 2.430 2.946 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.794 3.348 3.654 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.691 1.300 3.420 1.00 -0.65 O ATOM 0 H GLU A 121 2.338 0.040 0.539 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.776 1.218 2.599 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.549 2.320 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.979 3.265 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.635 1.836 0.936 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.348 3.554 1.126 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.768 0.556 -0.252 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.053 0.418 -0.926 1.00 0.36 C ATOM 1875 C LEU A 122 -2.958 -0.547 -0.173 1.00 0.57 C ATOM 1876 O LEU A 122 -4.168 -0.322 -0.141 1.00 -0.57 O ATOM 1877 CB LEU A 122 -1.865 -0.055 -2.376 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.555 1.063 -3.396 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -2.853 1.825 -3.681 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.487 2.103 -3.029 1.00 0.00 C ATOM 0 H LEU A 122 0.011 0.196 -0.802 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.527 1.399 -0.942 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.055 -0.784 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.770 -0.573 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.135 0.525 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.657 2.621 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.595 1.140 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.232 2.258 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.383 2.820 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.786 2.626 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.467 1.602 -2.862 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.386 -1.570 0.473 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.113 -2.421 1.395 1.00 0.36 C ATOM 1894 C GLY A 123 -3.835 -1.595 2.454 1.00 0.57 C ATOM 1895 O GLY A 123 -5.038 -1.756 2.666 1.00 -0.57 O ATOM 0 H GLY A 123 -1.404 -1.823 0.364 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.836 -3.024 0.845 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.422 -3.113 1.878 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.125 -0.634 3.056 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.725 0.248 4.042 1.00 0.36 C ATOM 1901 C HIS A 124 -4.692 1.246 3.421 1.00 0.57 C ATOM 1902 O HIS A 124 -5.712 1.552 4.037 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.652 1.006 4.814 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.718 0.097 5.557 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -2.056 -0.944 6.391 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.360 0.107 5.453 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.919 -1.533 6.788 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.147 -0.917 6.256 1.00 -0.70 N ATOM 0 H HIS A 124 -2.138 -0.454 2.873 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.289 -0.391 4.721 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.078 1.621 4.121 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.130 1.684 5.521 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -3.001 -1.218 6.659 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.224 0.789 4.853 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.868 -2.387 7.447 1.00 0.65 H new ATOM 1917 N SER A 125 -4.392 1.722 2.212 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.282 2.592 1.461 1.00 0.36 C ATOM 1919 C SER A 125 -6.637 1.916 1.219 1.00 0.57 C ATOM 1920 O SER A 125 -7.679 2.566 1.282 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.590 2.974 0.150 1.00 0.28 C ATOM 1922 OG SER A 125 -4.840 4.314 -0.181 1.00 -0.68 O ATOM 0 H SER A 125 -3.519 1.511 1.728 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.489 3.497 2.031 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.516 2.813 0.242 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.942 2.326 -0.653 1.00 0.28 H new ATOM 0 HG SER A 125 -4.276 4.897 0.368 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.636 0.595 1.001 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.848 -0.201 0.878 1.00 0.36 C ATOM 1930 C LEU A 126 -8.674 -0.138 2.174 1.00 0.57 C ATOM 1931 O LEU A 126 -9.889 0.069 2.123 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.459 -1.654 0.541 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.455 -2.401 -0.358 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.899 -2.266 0.124 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.344 -1.942 -1.819 1.00 0.00 C ATOM 0 H LEU A 126 -5.780 0.049 0.905 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.468 0.200 0.076 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.485 -1.649 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.346 -2.209 1.472 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.185 -3.455 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.560 -2.813 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.986 -2.675 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.182 -1.214 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.062 -2.490 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.555 -0.874 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.336 -2.135 -2.185 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.022 -0.310 3.328 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.714 -0.388 4.605 1.00 0.36 C ATOM 1949 C GLY A 127 -7.828 -0.835 5.763 1.00 0.57 C ATOM 1950 O GLY A 127 -8.221 -1.713 6.519 1.00 -0.57 O ATOM 0 H GLY A 127 -7.008 -0.398 3.397 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.135 0.590 4.839 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.550 -1.081 4.512 1.00 0.36 H new ATOM 1954 N MET A 128 -6.650 -0.238 5.944 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.681 -0.696 6.946 1.00 0.36 C ATOM 1956 C MET A 128 -5.356 -2.197 6.748 1.00 0.57 C ATOM 1957 O MET A 128 -5.517 -2.718 5.648 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.185 -0.327 8.359 1.00 0.00 C ATOM 1959 CG MET A 128 -5.041 0.055 9.310 1.00 0.23 C ATOM 1960 SD MET A 128 -4.778 1.840 9.537 1.00 -0.46 S ATOM 1961 CE MET A 128 -4.288 2.380 7.878 1.00 0.23 C ATOM 0 H MET A 128 -6.340 0.571 5.406 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.728 -0.183 6.819 1.00 0.36 H new ATOM 0 HB2 MET A 128 -6.885 0.505 8.286 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.734 -1.170 8.777 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.236 -0.393 10.284 1.00 0.23 H new ATOM 0 HG3 MET A 128 -4.117 -0.386 8.936 1.00 0.23 H new ATOM 0 HE1 MET A 128 -4.185 3.465 7.864 1.00 0.23 H new ATOM 0 HE2 MET A 128 -3.335 1.922 7.613 1.00 0.23 H new ATOM 0 HE3 MET A 128 -5.048 2.078 7.158 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.828 -2.880 7.775 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.635 -4.334 7.749 1.00 0.36 C ATOM 1973 C GLY A 129 -3.250 -4.777 8.217 1.00 0.57 C ATOM 1974 O GLY A 129 -2.701 -5.719 7.659 1.00 -0.57 O ATOM 0 H GLY A 129 -4.524 -2.440 8.643 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -5.390 -4.803 8.380 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.799 -4.695 6.734 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.661 -4.082 9.198 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.320 -4.368 9.706 1.00 0.36 C ATOM 1980 C HIS A 130 -1.221 -5.744 10.393 1.00 0.57 C ATOM 1981 O HIS A 130 -2.242 -6.354 10.735 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.892 -3.241 10.672 1.00 0.17 C ATOM 1983 CG HIS A 130 0.165 -2.302 10.143 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.383 -1.009 10.564 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.151 -2.597 9.240 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.475 -0.549 9.930 1.00 0.65 C ATOM 1987 NE2 HIS A 130 1.975 -1.483 9.108 1.00 -0.70 N ATOM 0 H HIS A 130 -3.111 -3.295 9.665 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.642 -4.406 8.854 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.774 -2.657 10.935 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.523 -3.695 11.592 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.269 -3.535 8.718 1.00 0.20 H new ATOM 0 HE1 HIS A 130 1.893 0.438 10.064 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.794 -1.395 8.507 1.00 -0.70 H new ATOM 1996 N SER A 131 0.012 -6.197 10.662 1.00 -0.73 N ATOM 1997 CA SER A 131 0.302 -7.449 11.354 1.00 0.36 C ATOM 1998 C SER A 131 1.661 -7.356 12.076 1.00 0.57 C ATOM 1999 O SER A 131 2.277 -6.290 12.091 1.00 -0.57 O ATOM 2000 CB SER A 131 0.264 -8.596 10.335 1.00 0.28 C ATOM 2001 OG SER A 131 1.509 -8.749 9.683 1.00 -0.68 O ATOM 0 H SER A 131 0.853 -5.685 10.395 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.450 -7.644 12.119 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.000 -9.525 10.840 1.00 0.28 H new ATOM 0 HB3 SER A 131 -0.514 -8.403 9.596 1.00 0.28 H new ATOM 0 HG SER A 131 1.860 -9.647 9.856 1.00 -0.68 H new ATOM 2007 N SER A 132 2.138 -8.474 12.647 1.00 -0.73 N ATOM 2008 CA SER A 132 3.419 -8.571 13.344 1.00 0.36 C ATOM 2009 C SER A 132 4.085 -9.940 13.087 1.00 0.57 C ATOM 2010 O SER A 132 4.479 -10.627 14.030 1.00 -0.57 O ATOM 2011 CB SER A 132 3.237 -8.205 14.834 1.00 0.28 C ATOM 2012 OG SER A 132 2.184 -8.903 15.487 1.00 -0.68 O ATOM 0 H SER A 132 1.625 -9.356 12.633 1.00 -0.73 H new ATOM 0 HA SER A 132 4.123 -7.842 12.943 1.00 0.36 H new ATOM 0 HB2 SER A 132 4.170 -8.405 15.361 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.050 -7.134 14.912 1.00 0.28 H new ATOM 0 HG SER A 132 2.134 -8.618 16.423 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.179 -10.354 11.811 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.688 -11.671 11.382 1.00 0.36 C ATOM 2020 C ASP A 133 6.089 -11.523 10.755 1.00 0.57 C ATOM 2021 O ASP A 133 6.306 -10.558 10.027 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.722 -12.276 10.335 1.00 0.06 C ATOM 2023 CG ASP A 133 3.160 -13.657 10.690 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.808 -14.371 11.437 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 1.996 -13.992 10.141 1.00 -0.65 O ATOM 0 H ASP A 133 3.895 -9.766 11.027 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.754 -12.326 12.251 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.889 -11.588 10.192 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.244 -12.348 9.381 1.00 0.06 H new ATOM 2031 N PRO A 134 7.045 -12.460 10.928 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.398 -12.313 10.384 1.00 0.36 C ATOM 2033 C PRO A 134 8.469 -12.453 8.850 1.00 0.57 C ATOM 2034 O PRO A 134 9.489 -12.114 8.248 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.243 -13.376 11.094 1.00 0.00 C ATOM 2036 CG PRO A 134 8.243 -14.441 11.553 1.00 0.00 C ATOM 2037 CD PRO A 134 6.887 -13.739 11.598 1.00 0.30 C ATOM 0 HA PRO A 134 8.769 -11.305 10.567 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.989 -13.800 10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.782 -12.950 11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.225 -15.285 10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.513 -14.836 12.533 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.125 -14.341 11.103 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.561 -13.596 12.628 1.00 0.30 H new ATOM 2045 N ASN A 135 7.389 -12.931 8.217 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.279 -13.169 6.777 1.00 0.36 C ATOM 2047 C ASN A 135 5.902 -12.666 6.319 1.00 0.57 C ATOM 2048 O ASN A 135 5.116 -13.395 5.705 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.510 -14.652 6.439 1.00 0.06 C ATOM 2050 CG ASN A 135 8.855 -15.193 6.930 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.929 -14.862 6.430 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.826 -16.043 7.948 1.00 -0.80 N ATOM 0 H ASN A 135 6.534 -13.171 8.718 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.054 -12.622 6.239 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.708 -15.245 6.878 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.448 -14.783 5.359 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.696 -16.424 8.319 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.933 -16.315 8.360 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.606 -11.418 6.696 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.426 -10.670 6.296 1.00 0.36 C ATOM 2061 C ALA A 136 4.881 -9.490 5.441 1.00 0.57 C ATOM 2062 O ALA A 136 5.923 -8.887 5.710 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.684 -10.203 7.555 1.00 0.00 C ATOM 0 H ALA A 136 6.215 -10.884 7.316 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.742 -11.285 5.711 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.796 -9.640 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.388 -11.070 8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.340 -9.566 8.149 1.00 0.00 H new ATOM 2069 N VAL A 137 4.090 -9.134 4.427 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.313 -7.916 3.651 1.00 0.36 C ATOM 2071 C VAL A 137 3.926 -6.695 4.497 1.00 0.57 C ATOM 2072 O VAL A 137 4.523 -5.631 4.332 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.590 -8.016 2.287 1.00 0.00 C ATOM 2074 CG1 VAL A 137 2.072 -8.125 2.399 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.907 -6.848 1.341 1.00 0.00 C ATOM 0 H VAL A 137 3.283 -9.679 4.123 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.368 -7.792 3.408 1.00 0.36 H new ATOM 0 HB VAL A 137 3.985 -8.942 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.637 -8.191 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.812 -9.018 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.681 -7.244 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.367 -6.982 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.601 -5.910 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.978 -6.822 1.142 1.00 0.00 H new ATOM 2085 N MET A 138 2.989 -6.859 5.441 1.00 -0.73 N ATOM 2086 CA MET A 138 2.525 -5.853 6.393 1.00 0.36 C ATOM 2087 C MET A 138 3.470 -5.626 7.574 1.00 0.57 C ATOM 2088 O MET A 138 3.305 -4.627 8.268 1.00 -0.57 O ATOM 2089 CB MET A 138 1.164 -6.294 6.949 1.00 0.00 C ATOM 2090 CG MET A 138 0.036 -6.312 5.912 1.00 0.23 C ATOM 2091 SD MET A 138 -0.511 -4.663 5.411 1.00 -0.46 S ATOM 2092 CE MET A 138 0.443 -4.465 3.894 1.00 0.23 C ATOM 0 H MET A 138 2.510 -7.751 5.564 1.00 -0.73 H new ATOM 0 HA MET A 138 2.470 -4.913 5.845 1.00 0.36 H new ATOM 0 HB2 MET A 138 1.265 -7.292 7.376 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.883 -5.626 7.763 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.373 -6.858 5.030 1.00 0.23 H new ATOM 0 HG3 MET A 138 -0.814 -6.859 6.321 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.113 -3.842 3.193 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.397 -3.990 4.123 1.00 0.23 H new ATOM 0 HE3 MET A 138 0.622 -5.443 3.447 1.00 0.23 H new ATOM 2102 N TYR A 139 4.438 -6.507 7.833 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.321 -6.364 8.988 1.00 0.36 C ATOM 2104 C TYR A 139 6.077 -5.022 8.930 1.00 0.57 C ATOM 2105 O TYR A 139 6.667 -4.710 7.890 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.261 -7.564 9.022 1.00 0.14 C ATOM 2107 CG TYR A 139 7.407 -7.490 10.013 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.176 -7.612 11.398 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.716 -7.305 9.536 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.246 -7.500 12.306 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.792 -7.212 10.435 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.557 -7.277 11.826 1.00 0.08 C ATOM 2113 OH TYR A 139 10.596 -7.133 12.698 1.00 -0.53 O ATOM 0 H TYR A 139 4.629 -7.327 7.257 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.744 -6.348 9.913 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.672 -8.454 9.245 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.679 -7.700 8.025 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.176 -7.792 11.764 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 8.896 -7.234 8.473 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.066 -7.584 13.367 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.798 -7.091 10.062 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.426 -6.988 12.197 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.053 -4.206 10.002 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.797 -2.955 10.043 1.00 0.36 C ATOM 2125 C PRO A 140 8.295 -3.223 10.224 1.00 0.57 C ATOM 2126 O PRO A 140 8.667 -4.247 10.789 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.213 -2.174 11.223 1.00 0.00 C ATOM 2128 CG PRO A 140 5.688 -3.249 12.171 1.00 0.00 C ATOM 2129 CD PRO A 140 5.339 -4.423 11.255 1.00 0.30 C ATOM 0 HA PRO A 140 6.705 -2.390 9.115 1.00 0.36 H new ATOM 0 HB2 PRO A 140 6.971 -1.556 11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.415 -1.505 10.900 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.439 -3.530 12.909 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.814 -2.901 12.722 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.634 -5.369 11.709 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.264 -4.473 11.084 1.00 0.30 H new ATOM 2137 N THR A 141 9.141 -2.266 9.813 1.00 -0.73 N ATOM 2138 CA THR A 141 10.603 -2.373 9.814 1.00 0.36 C ATOM 2139 C THR A 141 11.084 -3.522 8.912 1.00 0.57 C ATOM 2140 O THR A 141 11.083 -4.686 9.303 1.00 -0.57 O ATOM 2141 CB THR A 141 11.131 -2.413 11.264 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.879 -1.144 11.841 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.631 -2.706 11.382 1.00 0.00 C ATOM 0 H THR A 141 8.812 -1.367 9.460 1.00 -0.73 H new ATOM 0 HA THR A 141 11.040 -1.481 9.365 1.00 0.36 H new ATOM 0 HB THR A 141 10.618 -3.230 11.773 1.00 0.28 H new ATOM 0 HG1 THR A 141 11.202 -1.135 12.766 1.00 -0.68 H new ATOM 0 HG21 THR A 141 12.918 -2.716 12.433 1.00 0.00 H new ATOM 0 HG22 THR A 141 12.848 -3.677 10.937 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.195 -1.933 10.859 1.00 0.00 H new ATOM 2151 N TYR A 142 11.510 -3.171 7.687 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.018 -4.099 6.670 1.00 0.36 C ATOM 2153 C TYR A 142 12.925 -5.175 7.280 1.00 0.57 C ATOM 2154 O TYR A 142 13.928 -4.859 7.925 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.767 -3.336 5.559 1.00 0.14 C ATOM 2156 CG TYR A 142 12.216 -3.536 4.157 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 12.070 -4.827 3.606 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 11.862 -2.410 3.394 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.544 -4.988 2.308 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 11.319 -2.566 2.109 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.165 -3.857 1.552 1.00 0.08 C ATOM 2162 OH TYR A 142 10.651 -4.011 0.297 1.00 -0.53 O ATOM 0 H TYR A 142 11.509 -2.202 7.370 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.155 -4.602 6.233 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.746 -2.272 5.793 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.813 -3.644 5.569 1.00 0.14 H new ATOM 0 HD1 TYR A 142 12.362 -5.694 4.180 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 12.009 -1.419 3.799 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 11.431 -5.978 1.891 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 11.018 -1.697 1.543 1.00 -0.15 H new ATOM 0 HH TYR A 142 10.442 -3.131 -0.081 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.566 -6.439 7.042 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.201 -7.611 7.620 1.00 0.36 C ATOM 2174 C GLY A 143 13.314 -8.694 6.556 1.00 0.57 C ATOM 2175 O GLY A 143 13.798 -8.414 5.461 1.00 -0.57 O ATOM 0 H GLY A 143 11.795 -6.676 6.417 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.189 -7.354 8.001 1.00 0.36 H new ATOM 0 HA3 GLY A 143 12.618 -7.975 8.466 1.00 0.36 H new ATOM 2179 N ASN A 144 12.894 -9.925 6.878 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.022 -11.065 5.970 1.00 0.36 C ATOM 2181 C ASN A 144 12.155 -10.856 4.722 1.00 0.57 C ATOM 2182 O ASN A 144 12.695 -10.741 3.620 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.668 -12.374 6.704 1.00 0.06 C ATOM 2184 CG ASN A 144 13.463 -13.589 6.215 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.631 -13.510 5.823 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.846 -14.761 6.258 1.00 -0.80 N ATOM 0 H ASN A 144 12.459 -10.154 7.771 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.057 -11.143 5.638 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.845 -12.241 7.771 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.604 -12.573 6.580 1.00 0.06 H new ATOM 0 HD21 ASN A 144 13.336 -15.606 5.966 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.881 -14.818 6.583 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.829 -10.745 4.925 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.821 -10.604 3.873 1.00 0.36 C ATOM 2195 C GLY A 145 10.097 -11.479 2.643 1.00 0.57 C ATOM 2196 O GLY A 145 10.709 -12.548 2.738 1.00 -0.57 O ATOM 0 H GLY A 145 10.422 -10.752 5.860 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 8.843 -10.861 4.280 1.00 0.36 H new ATOM 0 HA3 GLY A 145 9.773 -9.560 3.564 1.00 0.36 H new ATOM 2200 N ASP A 146 9.651 -11.005 1.476 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.039 -11.537 0.173 1.00 0.36 C ATOM 2202 C ASP A 146 9.838 -10.430 -0.880 1.00 0.57 C ATOM 2203 O ASP A 146 8.846 -10.454 -1.609 1.00 -0.57 O ATOM 2204 CB ASP A 146 9.258 -12.834 -0.140 1.00 0.06 C ATOM 2205 CG ASP A 146 9.913 -13.670 -1.249 1.00 0.66 C ATOM 2206 OD1 ASP A 146 10.235 -13.138 -2.299 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 10.153 -14.955 -1.005 1.00 -0.65 O ATOM 0 H ASP A 146 8.997 -10.225 1.413 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.091 -11.822 0.165 1.00 0.36 H new ATOM 0 HB2 ASP A 146 9.183 -13.435 0.766 1.00 0.06 H new ATOM 0 HB3 ASP A 146 8.241 -12.578 -0.437 1.00 0.06 H new ATOM 2213 N PRO A 147 10.723 -9.406 -0.953 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.623 -8.303 -1.916 1.00 0.36 C ATOM 2215 C PRO A 147 10.911 -8.747 -3.368 1.00 0.57 C ATOM 2216 O PRO A 147 11.582 -8.046 -4.127 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.559 -7.207 -1.384 1.00 0.00 C ATOM 2218 CG PRO A 147 12.598 -7.946 -0.550 1.00 0.00 C ATOM 2219 CD PRO A 147 11.893 -9.226 -0.098 1.00 0.30 C ATOM 0 HA PRO A 147 9.605 -7.920 -1.990 1.00 0.36 H new ATOM 0 HB2 PRO A 147 12.027 -6.657 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.014 -6.480 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.489 -8.170 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.919 -7.348 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.563 -10.082 -0.179 1.00 0.30 H new ATOM 0 HD3 PRO A 147 11.596 -9.152 0.948 1.00 0.30 H new ATOM 2227 N GLN A 148 10.429 -9.930 -3.760 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.605 -10.536 -5.070 1.00 0.36 C ATOM 2229 C GLN A 148 9.325 -11.305 -5.425 1.00 0.57 C ATOM 2230 O GLN A 148 8.697 -10.999 -6.446 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.847 -11.458 -5.064 1.00 0.00 C ATOM 2232 CG GLN A 148 13.157 -10.707 -4.755 1.00 0.06 C ATOM 2233 CD GLN A 148 14.417 -11.564 -4.897 1.00 0.57 C ATOM 2234 OE1 GLN A 148 15.143 -11.795 -3.936 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.737 -12.009 -6.106 1.00 -0.80 N ATOM 0 H GLN A 148 9.877 -10.517 -3.134 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.776 -9.771 -5.827 1.00 0.36 H new ATOM 0 HB2 GLN A 148 11.704 -12.246 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.935 -11.945 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.237 -9.849 -5.422 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.109 -10.317 -3.738 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.127 -11.812 -6.900 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 15.593 -12.548 -6.241 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.883 -12.225 -4.555 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.805 -13.175 -4.816 1.00 0.36 C ATOM 2246 C ASN A 149 6.651 -12.876 -3.851 1.00 0.57 C ATOM 2247 O ASN A 149 6.591 -13.430 -2.758 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.276 -14.643 -4.669 1.00 0.06 C ATOM 2249 CG ASN A 149 9.640 -14.963 -5.277 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.736 -15.393 -6.427 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.697 -14.781 -4.495 1.00 -0.80 N ATOM 0 H ASN A 149 9.282 -12.327 -3.622 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.474 -13.058 -5.848 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.304 -14.892 -3.608 1.00 0.06 H new ATOM 0 HB3 ASN A 149 7.532 -15.292 -5.130 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.631 -14.999 -4.841 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.575 -14.423 -3.548 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.738 -11.991 -4.264 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.666 -11.424 -3.437 1.00 0.36 C ATOM 2260 C PHE A 150 3.926 -12.434 -2.562 1.00 0.57 C ATOM 2261 O PHE A 150 3.939 -12.313 -1.342 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.645 -10.768 -4.371 1.00 0.14 C ATOM 2263 CG PHE A 150 3.865 -9.308 -4.627 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.151 -8.773 -4.828 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 2.730 -8.489 -4.693 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.296 -7.406 -5.095 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 2.871 -7.147 -5.043 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.150 -6.605 -5.222 1.00 -0.15 C ATOM 0 H PHE A 150 5.724 -11.636 -5.220 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.144 -10.721 -2.755 1.00 0.36 H new ATOM 0 HB2 PHE A 150 3.658 -11.294 -5.325 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.650 -10.901 -3.947 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.020 -9.412 -4.777 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 1.753 -8.894 -4.474 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.279 -6.972 -5.202 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 1.997 -6.527 -5.176 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.256 -5.557 -5.461 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.259 -13.383 -3.232 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.563 -14.545 -2.687 1.00 0.36 C ATOM 2280 C LYS A 151 1.965 -14.302 -1.292 1.00 0.57 C ATOM 2281 O LYS A 151 2.359 -14.968 -0.337 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.510 -15.761 -2.768 1.00 0.00 C ATOM 2283 CG LYS A 151 4.026 -16.055 -4.193 1.00 0.00 C ATOM 2284 CD LYS A 151 2.927 -16.445 -5.200 1.00 0.00 C ATOM 2285 CE LYS A 151 2.900 -17.952 -5.457 1.00 0.50 C ATOM 2286 NZ LYS A 151 1.724 -18.360 -6.264 1.00 -0.85 N ATOM 0 H LYS A 151 3.190 -13.351 -4.249 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.681 -14.754 -3.293 1.00 0.36 H new ATOM 0 HB2 LYS A 151 4.363 -15.590 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.989 -16.641 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 151 4.548 -15.174 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 151 4.758 -16.861 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.957 -16.124 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 151 3.092 -15.919 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.813 -18.248 -5.973 1.00 0.50 H new ATOM 0 HE3 LYS A 151 2.887 -18.482 -4.504 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 1.746 -19.389 -6.414 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 0.851 -18.102 -5.761 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 1.749 -17.875 -7.184 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.009 -13.350 -1.245 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.282 -12.833 -0.078 1.00 0.36 C ATOM 2302 C LEU A 152 0.232 -13.880 1.043 1.00 0.57 C ATOM 2303 O LEU A 152 -0.321 -14.961 0.841 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.150 -12.381 -0.461 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.280 -11.246 -1.509 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.347 -11.816 -2.935 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.561 -10.409 -1.324 1.00 0.00 C ATOM 0 H LEU A 152 0.703 -12.886 -2.101 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.824 -11.961 0.287 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.689 -13.251 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.657 -12.060 0.449 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.398 -10.622 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.438 -10.998 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.439 -12.381 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.212 -12.473 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.599 -9.629 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.434 -11.054 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.557 -9.951 -0.335 1.00 0.00 H new ATOM 2319 N SER A 153 0.873 -13.589 2.184 1.00 -0.73 N ATOM 2320 CA SER A 153 1.218 -14.622 3.157 1.00 0.36 C ATOM 2321 C SER A 153 0.028 -14.941 4.064 1.00 0.57 C ATOM 2322 O SER A 153 -0.676 -15.916 3.805 1.00 -0.57 O ATOM 2323 CB SER A 153 2.491 -14.205 3.913 1.00 0.28 C ATOM 2324 OG SER A 153 2.918 -15.176 4.849 1.00 -0.68 O ATOM 0 H SER A 153 1.160 -12.647 2.451 1.00 -0.73 H new ATOM 0 HA SER A 153 1.445 -15.559 2.648 1.00 0.36 H new ATOM 0 HB2 SER A 153 3.291 -14.023 3.195 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.308 -13.264 4.431 1.00 0.28 H new ATOM 0 HG SER A 153 3.216 -14.731 5.670 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.207 -14.144 5.116 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.258 -14.417 6.102 1.00 0.36 C ATOM 2332 C GLN A 154 -1.820 -13.119 6.647 1.00 0.57 C ATOM 2333 O GLN A 154 -3.028 -12.981 6.726 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.715 -15.237 7.288 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.567 -16.736 6.999 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.931 -17.426 6.923 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.499 -17.641 5.858 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -2.500 -17.776 8.069 1.00 -0.80 N ATOM 0 H GLN A 154 0.325 -13.295 5.306 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.036 -14.986 5.593 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.256 -14.836 7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.381 -15.107 8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.034 -16.876 6.059 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.035 -17.201 7.780 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -2.022 -17.595 8.952 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -3.415 -18.227 8.067 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.953 -12.167 6.970 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.246 -10.766 7.208 1.00 0.36 C ATOM 2349 C ASP A 155 -2.197 -10.173 6.172 1.00 0.57 C ATOM 2350 O ASP A 155 -3.204 -9.568 6.537 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.101 -10.031 7.174 1.00 0.06 C ATOM 2352 CG ASP A 155 0.910 -10.198 5.870 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.506 -9.221 5.448 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.984 -11.404 5.315 1.00 -0.65 O ATOM 0 H ASP A 155 0.040 -12.372 7.079 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.752 -10.657 8.167 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.079 -8.968 7.337 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.709 -10.383 8.007 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.897 -10.396 4.890 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.688 -9.898 3.775 1.00 0.36 C ATOM 2362 C ASP A 156 -4.066 -10.557 3.782 1.00 0.57 C ATOM 2363 O ASP A 156 -5.079 -9.862 3.840 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.968 -10.235 2.464 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.086 -9.127 1.882 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.351 -9.472 0.971 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.185 -7.888 2.356 1.00 -0.65 O ATOM 0 H ASP A 156 -1.083 -10.937 4.599 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.809 -8.819 3.866 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.349 -11.117 2.628 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.717 -10.505 1.720 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.098 -11.899 3.784 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.326 -12.696 3.801 1.00 0.36 C ATOM 2375 C ILE A 157 -6.162 -12.305 5.028 1.00 0.57 C ATOM 2376 O ILE A 157 -7.381 -12.164 4.928 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.983 -14.214 3.769 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.744 -14.764 2.344 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.099 -15.089 4.380 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.577 -14.148 1.570 1.00 0.00 C ATOM 0 H ILE A 157 -3.252 -12.468 3.774 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.923 -12.492 2.912 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.067 -14.275 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.579 -15.839 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.655 -14.619 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.807 -16.138 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.256 -14.804 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.023 -14.944 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.508 -14.612 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.742 -13.077 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.649 -14.316 2.117 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.512 -12.113 6.184 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.145 -11.713 7.428 1.00 0.36 C ATOM 2394 C LYS A 158 -6.789 -10.359 7.209 1.00 0.57 C ATOM 2395 O LYS A 158 -7.998 -10.266 7.385 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.122 -11.669 8.582 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.779 -11.505 9.964 1.00 0.00 C ATOM 2398 CD LYS A 158 -6.120 -12.866 10.584 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.859 -13.492 11.206 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.827 -14.960 11.056 1.00 -0.85 N ATOM 0 H LYS A 158 -4.503 -12.238 6.272 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.904 -12.441 7.713 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.533 -12.586 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.430 -10.844 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.107 -10.960 10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.686 -10.909 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -6.890 -12.745 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -6.528 -13.530 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.974 -13.062 10.737 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.814 -13.237 12.265 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -3.959 -15.335 11.490 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.657 -15.375 11.526 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.842 -15.206 10.046 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.023 -9.342 6.795 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.536 -8.009 6.511 1.00 0.36 C ATOM 2416 C GLY A 159 -7.731 -8.086 5.567 1.00 0.57 C ATOM 2417 O GLY A 159 -8.820 -7.651 5.925 1.00 -0.57 O ATOM 0 H GLY A 159 -5.017 -9.430 6.648 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.830 -7.521 7.440 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.751 -7.398 6.064 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.570 -8.744 4.419 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.646 -8.967 3.463 1.00 0.36 C ATOM 2423 C ILE A 160 -9.887 -9.562 4.148 1.00 0.57 C ATOM 2424 O ILE A 160 -10.986 -9.028 3.983 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.116 -9.861 2.320 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.137 -9.121 1.375 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.285 -10.504 1.568 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -7.729 -7.986 0.537 1.00 0.00 C ATOM 0 H ILE A 160 -6.677 -9.140 4.127 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.967 -8.016 3.039 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.523 -10.657 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.324 -8.714 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.697 -9.853 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.900 -11.132 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.869 -11.114 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.919 -9.724 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -6.948 -7.546 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.520 -8.379 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.141 -7.223 1.197 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.730 -10.638 4.927 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.846 -11.278 5.610 1.00 0.36 C ATOM 2442 C GLN A 161 -11.445 -10.386 6.706 1.00 0.57 C ATOM 2443 O GLN A 161 -12.651 -10.439 6.955 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.415 -12.641 6.178 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.362 -13.738 5.089 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.375 -14.875 5.284 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.411 -14.722 5.930 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -11.121 -16.034 4.687 1.00 -0.80 N ATOM 0 H GLN A 161 -8.828 -11.083 5.097 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.633 -11.439 4.873 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.434 -12.545 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.110 -12.942 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.535 -13.276 4.117 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.358 -14.162 5.066 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.260 -16.155 4.153 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -11.787 -16.803 4.763 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.632 -9.539 7.344 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.094 -8.559 8.321 1.00 0.36 C ATOM 2459 C LYS A 162 -11.918 -7.460 7.642 1.00 0.57 C ATOM 2460 O LYS A 162 -12.731 -6.849 8.331 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.900 -7.940 9.078 1.00 0.00 C ATOM 2462 CG LYS A 162 -9.014 -8.959 9.822 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.011 -8.867 11.350 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.324 -9.361 11.957 1.00 0.50 C ATOM 2465 NZ LYS A 162 -11.429 -8.387 11.880 1.00 -0.85 N ATOM 0 H LYS A 162 -9.624 -9.517 7.192 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.732 -9.074 9.039 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.282 -7.391 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -10.280 -7.215 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.335 -9.962 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -7.989 -8.842 9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -8.184 -9.456 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.839 -7.833 11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -10.625 -10.276 11.448 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -10.154 -9.619 13.002 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -11.994 -8.434 12.752 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -11.040 -7.429 11.771 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -12.033 -8.611 11.063 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.717 -7.215 6.341 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.409 -6.175 5.584 1.00 0.36 C ATOM 2481 C LEU A 163 -13.664 -6.743 4.905 1.00 0.57 C ATOM 2482 O LEU A 163 -14.735 -6.155 5.052 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.462 -5.563 4.531 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.563 -4.397 4.992 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.724 -4.675 6.241 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.629 -4.020 3.833 1.00 0.00 C ATOM 0 H LEU A 163 -11.054 -7.748 5.778 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.718 -5.392 6.277 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.819 -6.357 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.066 -5.214 3.694 1.00 0.00 H new ATOM 0 HG LEU A 163 -11.236 -3.586 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.128 -3.795 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -10.383 -4.908 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.063 -5.521 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -8.984 -3.196 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -9.016 -4.881 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -10.223 -3.715 2.971 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.555 -7.874 4.185 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.650 -8.444 3.383 1.00 0.36 C ATOM 2500 C TYR A 164 -14.639 -9.987 3.400 1.00 0.57 C ATOM 2501 O TYR A 164 -15.018 -10.622 2.413 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.622 -7.934 1.925 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.306 -6.471 1.672 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.966 -6.088 1.504 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.329 -5.514 1.532 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.634 -4.766 1.174 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -15.008 -4.179 1.211 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.657 -3.804 1.028 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.331 -2.513 0.744 1.00 -0.53 O ATOM 0 H TYR A 164 -12.696 -8.422 4.144 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.575 -8.104 3.849 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.890 -8.530 1.380 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.596 -8.143 1.482 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.182 -6.820 1.630 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.360 -5.803 1.671 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.601 -4.485 1.032 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.793 -3.444 1.105 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.148 -1.977 0.674 1.00 -0.53 H new ATOM 2519 N GLY A 165 -14.161 -10.597 4.491 1.00 -0.73 N ATOM 2520 CA GLY A 165 -14.162 -12.046 4.674 1.00 0.36 C ATOM 2521 C GLY A 165 -15.484 -12.500 5.269 1.00 0.57 C ATOM 2522 O GLY A 165 -16.539 -12.223 4.709 1.00 -0.57 O ATOM 0 H GLY A 165 -13.759 -10.089 5.279 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -13.997 -12.541 3.717 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -13.341 -12.337 5.329 1.00 0.36 H new ATOM 2526 N LYS A 166 -15.422 -13.199 6.409 1.00 -0.73 N ATOM 2527 CA LYS A 166 -16.608 -13.700 7.108 1.00 0.36 C ATOM 2528 C LYS A 166 -16.422 -13.632 8.623 1.00 0.57 C ATOM 2529 O LYS A 166 -17.188 -12.949 9.304 1.00 -0.57 O ATOM 2530 CB LYS A 166 -16.899 -15.145 6.645 1.00 0.00 C ATOM 2531 CG LYS A 166 -17.731 -15.229 5.346 1.00 0.00 C ATOM 2532 CD LYS A 166 -19.089 -15.922 5.533 1.00 0.00 C ATOM 2533 CE LYS A 166 -19.971 -15.089 6.472 1.00 0.50 C ATOM 2534 NZ LYS A 166 -21.337 -15.630 6.638 1.00 -0.85 N ATOM 0 H LYS A 166 -14.544 -13.433 6.873 1.00 -0.73 H new ATOM 0 HA LYS A 166 -17.462 -13.069 6.861 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -15.953 -15.665 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -17.429 -15.671 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -17.896 -14.222 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -17.158 -15.767 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -19.582 -16.043 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -18.945 -16.921 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -19.492 -15.030 7.449 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -20.037 -14.071 6.087 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -21.876 -15.019 7.284 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -21.812 -15.662 5.714 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -21.284 -16.590 7.034 1.00 -0.85 H new ATOM 2548 N ARG A 167 -15.393 -14.302 9.153 1.00 -0.73 N ATOM 2549 CA ARG A 167 -15.076 -14.362 10.577 1.00 0.36 C ATOM 2550 C ARG A 167 -13.562 -14.500 10.698 1.00 0.57 C ATOM 2551 O ARG A 167 -12.986 -15.359 10.042 1.00 -0.57 O ATOM 2552 CB ARG A 167 -15.758 -15.583 11.236 1.00 0.00 C ATOM 2553 CG ARG A 167 -17.134 -15.288 11.868 1.00 0.00 C ATOM 2554 CD ARG A 167 -17.159 -15.688 13.354 1.00 0.33 C ATOM 2555 NE ARG A 167 -18.524 -15.651 13.918 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -19.116 -14.610 14.529 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -18.468 -13.458 14.673 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -20.359 -14.737 15.001 1.00 -0.97 N ATOM 0 H ARG A 167 -14.738 -14.834 8.580 1.00 -0.73 H new ATOM 0 HA ARG A 167 -15.434 -13.464 11.080 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -15.878 -16.364 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -15.097 -15.980 12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -17.362 -14.227 11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -17.909 -15.832 11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -16.749 -16.692 13.465 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -16.515 -15.015 13.921 1.00 0.33 H new ATOM 0 HE ARG A 167 -19.075 -16.505 13.835 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -17.516 -13.360 14.319 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -18.923 -12.672 15.137 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -20.856 -15.622 14.897 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -20.811 -13.949 15.465 1.00 -0.97 H new ATOM 2572 N SER A 168 -12.960 -13.670 11.553 1.00 -0.73 N ATOM 2573 CA SER A 168 -11.548 -13.679 11.911 1.00 0.36 C ATOM 2574 C SER A 168 -11.442 -12.901 13.227 1.00 0.57 C ATOM 2575 O SER A 168 -11.195 -11.698 13.209 1.00 -0.57 O ATOM 2576 CB SER A 168 -10.695 -13.034 10.799 1.00 0.28 C ATOM 2577 OG SER A 168 -10.197 -14.002 9.898 1.00 -0.68 O ATOM 0 H SER A 168 -13.476 -12.936 12.038 1.00 -0.73 H new ATOM 0 HA SER A 168 -11.170 -14.694 12.028 1.00 0.36 H new ATOM 0 HB2 SER A 168 -11.296 -12.305 10.255 1.00 0.28 H new ATOM 0 HB3 SER A 168 -9.863 -12.491 11.247 1.00 0.28 H new ATOM 0 HG SER A 168 -10.897 -14.661 9.706 1.00 -0.68 H new ATOM 2583 N ASN A 169 -11.730 -13.536 14.368 1.00 -0.73 N ATOM 2584 CA ASN A 169 -11.524 -12.956 15.695 1.00 0.36 C ATOM 2585 C ASN A 169 -11.511 -14.106 16.702 1.00 0.57 C ATOM 2586 O ASN A 169 -12.287 -15.048 16.539 1.00 -0.57 O ATOM 2587 CB ASN A 169 -12.644 -11.953 16.041 1.00 0.06 C ATOM 2588 CG ASN A 169 -12.141 -10.848 16.965 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -11.188 -10.159 16.625 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -12.780 -10.608 18.103 1.00 -0.80 N ATOM 0 H ASN A 169 -12.118 -14.479 14.394 1.00 -0.73 H new ATOM 0 HA ASN A 169 -10.582 -12.409 15.721 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -13.035 -11.512 15.124 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -13.470 -12.480 16.518 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -12.478 -9.842 18.706 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -13.573 -11.189 18.375 1.00 -0.80 H new ATOM 2597 N SER A 170 -10.638 -14.047 17.717 1.00 -0.73 N ATOM 2598 CA SER A 170 -10.551 -15.049 18.784 1.00 0.36 C ATOM 2599 C SER A 170 -9.620 -14.519 19.889 1.00 0.57 C ATOM 2600 O SER A 170 -10.050 -14.319 21.027 1.00 -0.57 O ATOM 2601 CB SER A 170 -10.025 -16.383 18.197 1.00 0.28 C ATOM 2602 OG SER A 170 -10.314 -17.508 19.000 1.00 -0.68 O ATOM 0 H SER A 170 -9.963 -13.289 17.820 1.00 -0.73 H new ATOM 0 HA SER A 170 -11.535 -15.234 19.216 1.00 0.36 H new ATOM 0 HB2 SER A 170 -10.460 -16.532 17.209 1.00 0.28 H new ATOM 0 HB3 SER A 170 -8.946 -16.311 18.063 1.00 0.28 H new ATOM 0 HG SER A 170 -9.957 -18.315 18.573 1.00 -0.68 H new ATOM 2608 N ARG A 171 -8.368 -14.194 19.506 1.00 -0.73 N ATOM 2609 CA ARG A 171 -7.236 -13.858 20.385 1.00 0.36 C ATOM 2610 C ARG A 171 -6.934 -14.994 21.394 1.00 0.57 C ATOM 2611 O ARG A 171 -7.671 -15.978 21.469 1.00 -0.57 O ATOM 2612 CB ARG A 171 -7.483 -12.474 21.036 1.00 0.00 C ATOM 2613 CG ARG A 171 -6.194 -11.724 21.435 1.00 0.00 C ATOM 2614 CD ARG A 171 -6.276 -11.101 22.839 1.00 0.33 C ATOM 2615 NE ARG A 171 -7.081 -9.865 22.862 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -7.802 -9.382 23.889 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -8.026 -10.098 24.993 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -8.309 -8.150 23.811 1.00 -0.97 N ATOM 0 H ARG A 171 -8.109 -14.158 18.520 1.00 -0.73 H new ATOM 0 HA ARG A 171 -6.324 -13.773 19.795 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -8.051 -11.854 20.342 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -8.102 -12.607 21.923 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -5.351 -12.414 21.398 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -5.995 -10.939 20.705 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -6.708 -11.825 23.530 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -5.269 -10.882 23.195 1.00 0.33 H new ATOM 0 HE ARG A 171 -7.092 -9.315 22.003 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -7.646 -11.041 25.075 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -8.577 -9.702 25.754 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -8.148 -7.584 22.978 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -8.857 -7.774 24.585 1.00 -0.97 H new ATOM 2632 N LYS A 172 -5.825 -14.904 22.148 1.00 -0.73 N ATOM 2633 CA LYS A 172 -5.508 -15.821 23.249 1.00 0.36 C ATOM 2634 C LYS A 172 -4.448 -15.201 24.183 1.00 0.57 C ATOM 2635 O LYS A 172 -3.396 -15.796 24.411 1.00 -0.57 O ATOM 2636 CB LYS A 172 -5.086 -17.219 22.729 1.00 0.00 C ATOM 2637 CG LYS A 172 -5.278 -18.299 23.819 1.00 0.00 C ATOM 2638 CD LYS A 172 -6.546 -19.155 23.617 1.00 0.00 C ATOM 2639 CE LYS A 172 -6.194 -20.544 23.052 1.00 0.50 C ATOM 2640 NZ LYS A 172 -7.297 -21.147 22.268 1.00 -0.85 N ATOM 0 H LYS A 172 -5.117 -14.183 22.006 1.00 -0.73 H new ATOM 0 HA LYS A 172 -6.414 -15.973 23.835 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -5.676 -17.477 21.849 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -4.042 -17.194 22.417 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -4.406 -18.952 23.830 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -5.327 -17.815 24.795 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -7.068 -19.267 24.567 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -7.228 -18.645 22.937 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -5.310 -20.460 22.420 1.00 0.50 H new ATOM 0 HE3 LYS A 172 -5.935 -21.210 23.875 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 -7.002 -22.079 21.914 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 -8.135 -21.256 22.875 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 -7.530 -20.529 21.464 1.00 -0.85 H new ATOM 2654 N LYS A 173 -4.749 -14.010 24.724 1.00 -0.73 N ATOM 2655 CA LYS A 173 -3.849 -13.203 25.561 1.00 0.19 C ATOM 2656 CB LYS A 173 -3.681 -13.893 26.937 1.00 0.00 C ATOM 2657 CG LYS A 173 -3.324 -12.921 28.074 1.00 0.00 C ATOM 2658 CD LYS A 173 -2.947 -13.645 29.380 1.00 0.00 C ATOM 2659 CE LYS A 173 -1.438 -13.944 29.461 1.00 0.50 C ATOM 2660 NZ LYS A 173 -0.885 -13.683 30.812 1.00 -0.85 N ATOM 0 H LYS A 173 -5.658 -13.568 24.585 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 -4.606 -14.410 27.190 1.00 0.00 H new ATOM 0 HB3 LYS A 173 -2.902 -14.652 26.861 1.00 0.00 H new ATOM 0 HG2 LYS A 173 -2.492 -12.291 27.760 1.00 0.00 H new ATOM 0 HG3 LYS A 173 -4.171 -12.261 28.261 1.00 0.00 H new ATOM 0 HD2 LYS A 173 -3.241 -13.032 30.232 1.00 0.00 H new ATOM 0 HD3 LYS A 173 -3.506 -14.578 29.451 1.00 0.00 H new ATOM 0 HE2 LYS A 173 -1.261 -14.986 29.193 1.00 0.50 H new ATOM 0 HE3 LYS A 173 -0.909 -13.333 28.730 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 0.132 -13.898 30.818 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 -1.029 -12.683 31.059 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 -1.370 -14.285 31.508 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 12.619 7.273 4.796 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.778 10.726 -0.471 1.00 2.00 CA HETATM 2677 ZN ZN A 176 2.412 12.022 4.129 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.004 -0.394 7.272 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 6.287 2.798 11.349 1.00 0.00 C HETATM 2680 C2 MDW A 178 5.432 3.867 11.611 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.361 4.376 12.873 1.00 0.00 O HETATM 2682 C7 MDW A 178 4.621 4.396 10.603 1.00 0.00 C HETATM 2683 O12 MDW A 178 3.747 5.433 10.899 1.00 0.00 O HETATM 2684 C13 MDW A 178 2.438 5.504 10.278 1.00 0.00 C HETATM 2685 C6 MDW A 178 4.706 3.867 9.312 1.00 0.00 C HETATM 2686 C5 MDW A 178 5.544 2.783 9.040 1.00 0.00 C HETATM 2687 C8 MDW A 178 5.520 2.178 7.643 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.157 1.591 7.359 1.00 0.00 C HETATM 2689 O15 MDW A 178 3.673 0.649 8.039 1.00 0.00 O HETATM 2690 N16 MDW A 178 3.466 2.170 6.347 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.220 1.650 6.023 1.00 0.00 O HETATM 2692 C4 MDW A 178 6.326 2.238 10.070 1.00 0.00 C HETATM 2693 C10 MDW A 178 7.202 1.036 9.808 1.00 0.00 C HETATM 2694 C11 MDW A 178 6.783 0.254 8.554 1.00 0.00 C HETATM 2695 N9 MDW A 178 6.595 1.174 7.411 1.00 0.00 N HETATM 2696 S18 MDW A 178 7.989 1.698 6.661 1.00 0.00 S HETATM 2697 O40 MDW A 178 7.845 3.130 6.321 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.199 1.265 7.420 1.00 0.00 O HETATM 2699 C19 MDW A 178 7.857 0.787 5.170 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.020 1.220 4.137 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.058 0.560 2.907 1.00 0.00 C HETATM 2702 C22 MDW A 178 7.921 -0.527 2.731 1.00 0.00 C HETATM 2703 O25 MDW A 178 8.015 -1.156 1.508 1.00 0.00 O HETATM 2704 C26 MDW A 178 7.876 -2.587 1.427 1.00 0.00 C HETATM 2705 C23 MDW A 178 8.702 -0.980 3.794 1.00 0.00 C HETATM 2706 C24 MDW A 178 8.668 -0.333 5.017 1.00 0.00 C HETATM 0 H48 MDW A 178 6.346 2.063 4.290 1.00 0.00 H new HETATM 0 H47 MDW A 178 8.650 -3.062 2.030 1.00 0.00 H new HETATM 0 H46 MDW A 178 6.894 -2.879 1.801 1.00 0.00 H new HETATM 0 H45 MDW A 178 7.978 -2.904 0.389 1.00 0.00 H new HETATM 0 H44 MDW A 178 9.269 -0.697 5.850 1.00 0.00 H new HETATM 0 H43 MDW A 178 9.344 -1.851 3.661 1.00 0.00 H new HETATM 0 H42 MDW A 178 6.419 0.890 2.088 1.00 0.00 H new HETATM 0 H39 MDW A 178 1.768 2.251 5.395 1.00 0.00 H new HETATM 0 H38 MDW A 178 3.851 2.966 5.838 1.00 0.00 H new HETATM 0 H37 MDW A 178 2.552 5.569 9.196 1.00 0.00 H new HETATM 0 H36 MDW A 178 1.867 4.611 10.530 1.00 0.00 H new HETATM 0 H35 MDW A 178 1.911 6.386 10.641 1.00 0.00 H new HETATM 0 H34 MDW A 178 7.543 -0.489 8.310 1.00 0.00 H new HETATM 0 H33 MDW A 178 5.858 -0.289 8.748 1.00 0.00 H new HETATM 0 H32 MDW A 178 8.236 1.363 9.698 1.00 0.00 H new HETATM 0 H31 MDW A 178 7.168 0.373 10.672 1.00 0.00 H new HETATM 0 H30 MDW A 178 5.720 2.989 6.943 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.112 4.305 8.509 1.00 0.00 H new HETATM 0 H28 MDW A 178 6.923 2.400 12.140 1.00 0.00 H new HETATM 0 H27 MDW A 178 4.992 5.283 12.840 1.00 0.00 H new