USER MOD reduce.3.24.130724 H: found=0, std=0, add=1318, rem=0, adj=38 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 69 HIS HE2 : A 69 HIS NE2 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 176 ZNZN :(H bumps) 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 161 GLN : amide:sc= 0.263 X(o=0.63,f=0.49) USER MOD Set 1.2: A 164 TYR OH : rot 53:sc= 0.372 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -50:sc= 0.341 USER MOD Single : A 6 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.14) USER MOD Single : A 7 SER OG : rot 180:sc= 0 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 -131:sc= 1.34 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.672 USER MOD Single : A 17 TYR OH : rot 166:sc= 1.28 USER MOD Single : A 21 SER OG : rot -173:sc= 2.03 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 132:sc= 0.362 USER MOD Single : A 28 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.16) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.127 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 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.628 K(o=0.63,f=-2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 105 THR OG1 : rot 162:sc= 1.33 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= -0.91 K(o=-0.91,f=-9.5!) USER MOD Single : A 116 TYR OH : rot -43:sc= 0.0903 USER MOD Single : A 119 THR OG1 : rot 85:sc= 0.2 USER MOD Single : A 125 SER OG : rot -104:sc= 0.61 USER MOD Single : A 128 MET CE :methyl -170:sc= -3.75 (180deg=-3.86!) USER MOD Single : A 130 HIS : no HD1:sc= 0.0241 K(o=0.024,f=-3.2!) USER MOD Single : A 131 SER OG : rot 32:sc= -0.0805 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.1) USER MOD Single : A 138 MET CE :methyl -169:sc= -1.22 (180deg=-1.51) 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= -0.0981 USER MOD Single : A 144 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.48) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.26) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ -161:sc= -0.109 (180deg=-0.732) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.034) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ -132:sc=-7.64e-05 (180deg=-0.0801) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot -149:sc= 0.00611 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -10.304 -4.295 13.258 1.00 0.56 C ATOM 2 C TYR A 1 -8.840 -4.214 13.673 1.00 0.57 C ATOM 3 O TYR A 1 -8.517 -4.647 14.769 1.00 -0.57 O ATOM 4 CB TYR A 1 -10.450 -5.134 11.987 1.00 0.14 C ATOM 5 CG TYR A 1 -11.879 -5.321 11.525 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -12.835 -5.871 12.399 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -12.242 -4.986 10.205 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -14.159 -6.066 11.966 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -13.563 -5.181 9.768 1.00 -0.15 C ATOM 10 CZ TYR A 1 -14.528 -5.722 10.644 1.00 0.08 C ATOM 11 OH TYR A 1 -15.807 -5.904 10.217 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -9.881 -4.662 11.187 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -10.005 -6.114 12.159 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -12.551 -6.144 13.405 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -11.504 -4.579 9.529 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -14.893 -6.478 12.642 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -13.841 -4.916 8.759 1.00 -0.15 H new ATOM 0 HH TYR A 1 -15.885 -5.614 9.284 1.00 -0.53 H new ATOM 20 N SER A 2 -7.975 -3.677 12.799 1.00 -0.73 N ATOM 21 CA SER A 2 -6.529 -3.598 13.000 1.00 0.36 C ATOM 22 C SER A 2 -6.123 -2.918 14.311 1.00 0.57 C ATOM 23 O SER A 2 -5.072 -3.239 14.852 1.00 -0.57 O ATOM 24 CB SER A 2 -5.929 -2.803 11.839 1.00 0.28 C ATOM 25 OG SER A 2 -4.872 -3.500 11.232 1.00 -0.68 O ATOM 0 H SER A 2 -8.275 -3.276 11.910 1.00 -0.73 H new ATOM 0 HA SER A 2 -6.156 -4.621 13.046 1.00 0.36 H new ATOM 0 HB2 SER A 2 -6.703 -2.596 11.099 1.00 0.28 H new ATOM 0 HB3 SER A 2 -5.570 -1.840 12.203 1.00 0.28 H new ATOM 0 HG SER A 2 -4.241 -3.801 11.919 1.00 -0.68 H new ATOM 31 N LEU A 3 -6.935 -1.966 14.786 1.00 -0.73 N ATOM 32 CA LEU A 3 -6.790 -1.359 16.097 1.00 0.36 C ATOM 33 C LEU A 3 -8.201 -1.081 16.621 1.00 0.57 C ATOM 34 O LEU A 3 -8.711 -1.890 17.386 1.00 -0.57 O ATOM 35 CB LEU A 3 -5.860 -0.129 16.005 1.00 0.00 C ATOM 36 CG LEU A 3 -5.163 0.241 17.332 1.00 0.00 C ATOM 37 CD1 LEU A 3 -4.182 1.393 17.081 1.00 0.00 C ATOM 38 CD2 LEU A 3 -6.109 0.636 18.475 1.00 0.00 C ATOM 0 H LEU A 3 -7.722 -1.595 14.254 1.00 -0.73 H new ATOM 0 HA LEU A 3 -6.301 -2.012 16.820 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -5.098 -0.320 15.249 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.442 0.727 15.663 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.658 -0.667 17.661 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.687 1.659 18.015 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.436 1.083 16.350 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.726 2.257 16.700 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.525 0.878 19.363 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.695 1.506 18.178 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.779 -0.195 18.696 1.00 0.00 H new ATOM 50 N PHE A 4 -8.866 -0.011 16.154 1.00 -0.73 N ATOM 51 CA PHE A 4 -10.222 0.417 16.542 1.00 0.36 C ATOM 52 C PHE A 4 -10.579 1.785 15.919 1.00 0.57 C ATOM 53 O PHE A 4 -11.619 1.853 15.264 1.00 -0.57 O ATOM 54 CB PHE A 4 -10.415 0.476 18.083 1.00 0.14 C ATOM 55 CG PHE A 4 -11.363 -0.517 18.754 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -11.640 -1.795 18.217 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -11.938 -0.163 19.991 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -12.479 -2.692 18.906 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -12.769 -1.060 20.683 1.00 -0.15 C ATOM 60 CZ PHE A 4 -13.042 -2.328 20.140 1.00 -0.15 C ATOM 0 H PHE A 4 -8.452 0.611 15.460 1.00 -0.73 H new ATOM 0 HA PHE A 4 -10.900 -0.343 16.152 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -9.434 0.354 18.541 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -10.761 1.479 18.332 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -11.205 -2.085 17.272 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -11.737 0.811 20.413 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -12.690 -3.663 18.484 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -13.198 -0.776 21.632 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -13.682 -3.019 20.669 1.00 -0.15 H new ATOM 70 N PRO A 5 -9.770 2.862 16.078 1.00 -0.66 N ATOM 71 CA PRO A 5 -10.090 4.210 15.603 1.00 0.36 C ATOM 72 C PRO A 5 -9.868 4.354 14.084 1.00 0.57 C ATOM 73 O PRO A 5 -9.175 5.258 13.616 1.00 -0.57 O ATOM 74 CB PRO A 5 -9.247 5.161 16.464 1.00 0.00 C ATOM 75 CG PRO A 5 -8.026 4.338 16.861 1.00 0.00 C ATOM 76 CD PRO A 5 -8.524 2.897 16.836 1.00 0.30 C ATOM 0 HA PRO A 5 -11.147 4.450 15.719 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -8.960 6.052 15.906 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.800 5.498 17.341 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.201 4.487 16.164 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.662 4.617 17.850 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.781 2.245 16.377 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -8.685 2.532 17.850 1.00 0.30 H new ATOM 84 N ASN A 6 -10.415 3.417 13.306 1.00 -0.73 N ATOM 85 CA ASN A 6 -10.286 3.335 11.860 1.00 0.36 C ATOM 86 C ASN A 6 -11.585 2.724 11.334 1.00 0.57 C ATOM 87 O ASN A 6 -12.164 1.853 11.991 1.00 -0.57 O ATOM 88 CB ASN A 6 -9.101 2.426 11.472 1.00 0.06 C ATOM 89 CG ASN A 6 -7.773 2.816 12.117 1.00 0.57 C ATOM 90 OD1 ASN A 6 -7.399 2.271 13.150 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -7.040 3.744 11.516 1.00 -0.80 N ATOM 0 H ASN A 6 -10.985 2.663 13.690 1.00 -0.73 H new ATOM 0 HA ASN A 6 -10.105 4.323 11.437 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -9.339 1.399 11.750 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -8.984 2.443 10.388 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -6.142 4.020 11.912 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -7.375 4.181 10.658 1.00 -0.80 H new ATOM 98 N SER A 7 -11.981 3.099 10.114 1.00 -0.73 N ATOM 99 CA SER A 7 -13.158 2.561 9.437 1.00 0.36 C ATOM 100 C SER A 7 -12.689 1.857 8.161 1.00 0.57 C ATOM 101 O SER A 7 -12.729 2.455 7.086 1.00 -0.57 O ATOM 102 CB SER A 7 -14.180 3.675 9.180 1.00 0.28 C ATOM 103 OG SER A 7 -15.078 3.778 10.266 1.00 -0.68 O ATOM 0 H SER A 7 -11.482 3.797 9.562 1.00 -0.73 H new ATOM 0 HA SER A 7 -13.673 1.828 10.058 1.00 0.36 H new ATOM 0 HB2 SER A 7 -13.664 4.624 9.035 1.00 0.28 H new ATOM 0 HB3 SER A 7 -14.731 3.468 8.263 1.00 0.28 H new ATOM 0 HG SER A 7 -15.724 4.494 10.090 1.00 -0.68 H new ATOM 109 N PRO A 8 -12.186 0.612 8.270 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.759 -0.157 7.116 1.00 0.36 C ATOM 111 C PRO A 8 -12.933 -0.432 6.175 1.00 0.57 C ATOM 112 O PRO A 8 -14.066 -0.590 6.643 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.197 -1.471 7.659 1.00 0.00 C ATOM 114 CG PRO A 8 -11.608 -1.564 9.120 1.00 0.00 C ATOM 115 CD PRO A 8 -12.101 -0.174 9.492 1.00 0.30 C ATOM 0 HA PRO A 8 -11.013 0.391 6.541 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.586 -2.319 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.112 -1.495 7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.391 -2.309 9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.767 -1.863 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.075 -0.232 9.977 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.419 0.296 10.201 1.00 0.30 H new ATOM 123 N LYS A 9 -12.621 -0.591 4.878 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.577 -0.869 3.809 1.00 0.36 C ATOM 125 C LYS A 9 -14.412 0.386 3.522 1.00 0.57 C ATOM 126 O LYS A 9 -15.345 0.715 4.260 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.439 -2.104 4.140 1.00 0.00 C ATOM 128 CG LYS A 9 -14.882 -2.885 2.895 1.00 0.00 C ATOM 129 CD LYS A 9 -16.124 -3.746 3.183 1.00 0.00 C ATOM 130 CE LYS A 9 -17.396 -3.027 2.721 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.628 -3.742 3.121 1.00 -0.85 N ATOM 0 H LYS A 9 -11.661 -0.526 4.540 1.00 -0.73 H new ATOM 0 HA LYS A 9 -13.037 -1.118 2.895 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.875 -2.768 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.322 -1.785 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.100 -2.188 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.066 -3.523 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.035 -4.705 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.187 -3.958 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.412 -2.020 3.138 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.377 -2.922 1.636 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.460 -3.215 2.785 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.628 -4.694 2.702 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.663 -3.820 4.157 1.00 -0.85 H new ATOM 145 N TRP A 10 -14.050 1.102 2.451 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.749 2.299 1.994 1.00 0.36 C ATOM 147 C TRP A 10 -16.253 2.043 1.804 1.00 0.57 C ATOM 148 O TRP A 10 -16.689 0.913 1.579 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.123 2.812 0.685 1.00 0.18 C ATOM 150 CG TRP A 10 -12.631 3.003 0.668 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.720 2.045 0.378 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.854 4.224 0.899 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.450 2.577 0.438 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.474 3.929 0.685 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.169 5.555 1.253 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.470 4.904 0.778 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.165 6.535 1.386 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.819 6.214 1.140 1.00 -0.15 C ATOM 0 H TRP A 10 -13.248 0.858 1.870 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.641 3.061 2.765 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.384 2.114 -0.111 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.589 3.766 0.438 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.953 1.019 0.136 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.596 2.033 0.314 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.200 5.827 1.425 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.441 4.650 0.573 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.432 7.540 1.679 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.056 6.973 1.229 1.00 -0.15 H new ATOM 169 N THR A 11 -17.042 3.120 1.856 1.00 -0.73 N ATOM 170 CA THR A 11 -18.501 3.094 1.751 1.00 0.36 C ATOM 171 C THR A 11 -18.975 2.671 0.341 1.00 0.57 C ATOM 172 O THR A 11 -20.113 2.233 0.162 1.00 -0.57 O ATOM 173 CB THR A 11 -19.044 4.491 2.128 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.705 5.400 1.094 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.487 5.009 3.462 1.00 0.00 C ATOM 0 H THR A 11 -16.670 4.062 1.976 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.893 2.345 2.439 1.00 0.36 H new ATOM 0 HB THR A 11 -20.124 4.407 2.246 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.045 6.292 1.318 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -18.904 5.994 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.759 4.320 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.401 5.081 3.399 1.00 0.00 H new ATOM 183 N SER A 12 -18.086 2.786 -0.651 1.00 -0.73 N ATOM 184 CA SER A 12 -18.291 2.434 -2.044 1.00 0.36 C ATOM 185 C SER A 12 -17.458 1.191 -2.365 1.00 0.57 C ATOM 186 O SER A 12 -16.327 1.036 -1.910 1.00 -0.57 O ATOM 187 CB SER A 12 -17.850 3.628 -2.902 1.00 0.28 C ATOM 188 OG SER A 12 -17.876 3.358 -4.292 1.00 -0.68 O ATOM 0 H SER A 12 -17.148 3.151 -0.483 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.338 2.210 -2.250 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.500 4.478 -2.692 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.840 3.920 -2.614 1.00 0.28 H new ATOM 0 HG SER A 12 -17.025 3.632 -4.694 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.016 0.339 -3.229 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.360 -0.843 -3.797 1.00 0.36 C ATOM 196 C LYS A 13 -16.256 -0.494 -4.812 1.00 0.57 C ATOM 197 O LYS A 13 -15.492 -1.374 -5.211 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.450 -1.723 -4.441 1.00 0.00 C ATOM 199 CG LYS A 13 -19.010 -1.127 -5.754 1.00 0.00 C ATOM 200 CD LYS A 13 -20.539 -1.208 -5.923 1.00 0.00 C ATOM 201 CE LYS A 13 -21.116 0.214 -5.748 1.00 0.50 C ATOM 202 NZ LYS A 13 -22.588 0.269 -5.704 1.00 -0.85 N ATOM 0 H LYS A 13 -18.972 0.457 -3.565 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.852 -1.380 -2.996 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.038 -2.712 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.267 -1.857 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.711 -0.081 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.542 -1.641 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.793 -1.604 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.968 -1.887 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.720 0.644 -4.828 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.765 0.840 -6.569 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.895 1.255 -5.585 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.976 -0.110 -6.591 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.933 -0.300 -4.905 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.201 0.772 -5.240 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.203 1.314 -6.148 1.00 0.36 C ATOM 218 C VAL A 14 -14.571 2.487 -5.416 1.00 0.57 C ATOM 219 O VAL A 14 -15.298 3.331 -4.874 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.802 1.781 -7.496 1.00 0.00 C ATOM 221 CG1 VAL A 14 -14.689 2.236 -8.458 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.628 0.699 -8.202 1.00 0.00 C ATOM 0 H VAL A 14 -16.883 1.471 -4.946 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.478 0.542 -6.407 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.466 2.609 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.132 2.560 -9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.138 3.064 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.007 1.406 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.018 1.093 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -15.996 -0.165 -8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.458 0.399 -7.562 1.00 0.00 H new ATOM 232 N VAL A 15 -13.241 2.544 -5.459 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.425 3.582 -4.847 1.00 0.36 C ATOM 234 C VAL A 15 -11.661 4.320 -5.953 1.00 0.57 C ATOM 235 O VAL A 15 -11.406 3.744 -7.017 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.508 2.912 -3.798 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.331 2.138 -4.413 1.00 0.00 C ATOM 238 CG2 VAL A 15 -10.965 3.932 -2.803 1.00 0.00 C ATOM 0 H VAL A 15 -12.684 1.839 -5.941 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.022 4.330 -4.326 1.00 0.36 H new ATOM 0 HB VAL A 15 -12.145 2.191 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.731 1.695 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.713 1.349 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.713 2.820 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.324 3.429 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.387 4.688 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.795 4.410 -2.282 1.00 0.00 H new ATOM 248 N THR A 16 -11.269 5.574 -5.718 1.00 -0.73 N ATOM 249 CA THR A 16 -10.539 6.351 -6.717 1.00 0.36 C ATOM 250 C THR A 16 -9.066 6.476 -6.303 1.00 0.57 C ATOM 251 O THR A 16 -8.766 6.668 -5.124 1.00 -0.57 O ATOM 252 CB THR A 16 -11.249 7.694 -6.973 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.207 8.543 -5.848 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.721 7.492 -7.366 1.00 0.00 C ATOM 0 H THR A 16 -11.446 6.071 -4.845 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.538 5.837 -7.678 1.00 0.36 H new ATOM 0 HB THR A 16 -10.706 8.160 -7.796 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.667 9.383 -6.055 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.188 8.462 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.776 6.896 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.245 6.975 -6.562 1.00 0.00 H new ATOM 262 N TYR A 17 -8.132 6.399 -7.262 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.710 6.628 -6.999 1.00 0.36 C ATOM 264 C TYR A 17 -6.105 7.571 -8.040 1.00 0.57 C ATOM 265 O TYR A 17 -6.642 7.727 -9.142 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.933 5.298 -6.880 1.00 0.14 C ATOM 267 CG TYR A 17 -5.446 4.688 -8.186 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.342 4.008 -9.026 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.093 4.806 -8.567 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.899 3.474 -10.250 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.643 4.271 -9.791 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.544 3.602 -10.653 1.00 0.08 C ATOM 273 OH TYR A 17 -4.131 3.090 -11.859 1.00 -0.53 O ATOM 0 H TYR A 17 -8.343 6.177 -8.235 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.620 7.123 -6.032 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -5.070 5.462 -6.235 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.572 4.571 -6.379 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.375 3.894 -8.732 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.396 5.311 -7.915 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.599 2.960 -10.892 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.605 4.372 -10.072 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.248 3.452 -12.083 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.983 8.208 -7.680 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.181 9.016 -8.595 1.00 0.36 C ATOM 285 C ARG A 18 -2.741 9.033 -8.113 1.00 0.57 C ATOM 286 O ARG A 18 -2.472 8.765 -6.946 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.718 10.458 -8.669 1.00 0.00 C ATOM 288 CG ARG A 18 -4.243 11.204 -9.932 1.00 0.00 C ATOM 289 CD ARG A 18 -3.302 12.384 -9.658 1.00 0.33 C ATOM 290 NE ARG A 18 -2.912 13.031 -10.922 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.641 13.929 -11.610 1.00 1.20 C ATOM 292 NH1 ARG A 18 -4.780 14.418 -11.109 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -3.229 14.341 -12.808 1.00 -0.97 N ATOM 0 H ARG A 18 -4.606 8.173 -6.733 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.237 8.578 -9.591 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.808 10.437 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.396 11.007 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.736 10.496 -10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.116 11.570 -10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.795 13.107 -9.008 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -2.414 12.035 -9.131 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.005 12.775 -11.312 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -5.108 14.111 -10.193 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -5.321 15.098 -11.643 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -2.362 13.976 -13.203 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -3.780 15.022 -13.331 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.830 9.423 -9.001 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.409 9.462 -8.742 1.00 0.36 C ATOM 309 C ILE A 19 0.036 10.889 -9.137 1.00 0.57 C ATOM 310 O ILE A 19 -0.028 11.238 -10.315 1.00 -0.57 O ATOM 311 CB ILE A 19 0.281 8.287 -9.490 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.504 6.943 -9.479 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.647 8.066 -8.837 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.157 5.816 -10.284 1.00 0.00 C ATOM 0 H ILE A 19 -2.075 9.727 -9.943 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.123 9.303 -7.702 1.00 0.36 H new ATOM 0 HB ILE A 19 0.345 8.576 -10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.623 6.614 -8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.504 7.117 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.161 7.246 -9.338 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.243 8.975 -8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.511 7.820 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.456 4.917 -10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.251 6.120 -11.326 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.146 5.609 -9.876 1.00 0.00 H new ATOM 326 N VAL A 20 0.306 11.770 -8.155 1.00 -0.73 N ATOM 327 CA VAL A 20 0.515 13.221 -8.365 1.00 0.36 C ATOM 328 C VAL A 20 1.950 13.547 -8.825 1.00 0.57 C ATOM 329 O VAL A 20 2.153 14.163 -9.877 1.00 -0.57 O ATOM 330 CB VAL A 20 0.174 14.059 -7.099 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.309 14.455 -7.031 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.553 13.397 -5.763 1.00 0.00 C ATOM 0 H VAL A 20 0.387 11.492 -7.177 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.176 13.499 -9.161 1.00 0.36 H new ATOM 0 HB VAL A 20 0.797 14.945 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.489 15.038 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.567 15.052 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.925 13.556 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.277 14.056 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.023 12.450 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.628 13.216 -5.738 1.00 0.00 H new ATOM 342 N SER A 21 2.946 13.141 -8.030 1.00 -0.73 N ATOM 343 CA SER A 21 4.347 13.066 -8.441 1.00 0.36 C ATOM 344 C SER A 21 4.585 11.652 -8.984 1.00 0.57 C ATOM 345 O SER A 21 3.665 10.837 -8.998 1.00 -0.57 O ATOM 346 CB SER A 21 5.323 13.435 -7.293 1.00 0.28 C ATOM 347 OG SER A 21 4.747 13.645 -6.011 1.00 -0.68 O ATOM 0 H SER A 21 2.795 12.850 -7.064 1.00 -0.73 H new ATOM 0 HA SER A 21 4.550 13.803 -9.218 1.00 0.36 H new ATOM 0 HB2 SER A 21 6.064 12.640 -7.207 1.00 0.28 H new ATOM 0 HB3 SER A 21 5.858 14.341 -7.579 1.00 0.28 H new ATOM 0 HG SER A 21 5.433 13.977 -5.395 1.00 -0.68 H new ATOM 353 N TYR A 22 5.815 11.314 -9.373 1.00 -0.73 N ATOM 354 CA TYR A 22 6.203 9.963 -9.759 1.00 0.36 C ATOM 355 C TYR A 22 7.635 9.725 -9.295 1.00 0.57 C ATOM 356 O TYR A 22 8.392 10.685 -9.191 1.00 -0.57 O ATOM 357 CB TYR A 22 6.069 9.805 -11.274 1.00 0.14 C ATOM 358 CG TYR A 22 4.655 9.464 -11.711 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.205 8.135 -11.600 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.804 10.450 -12.246 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.938 7.773 -12.088 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.522 10.101 -12.707 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.093 8.756 -12.651 1.00 0.08 C ATOM 364 OH TYR A 22 0.868 8.400 -13.130 1.00 -0.53 O ATOM 0 H TYR A 22 6.581 11.986 -9.429 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.553 9.223 -9.292 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.381 10.730 -11.759 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.747 9.022 -11.614 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.836 7.390 -11.138 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.136 11.476 -12.302 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.610 6.745 -12.033 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.865 10.861 -13.104 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.412 9.192 -13.482 1.00 -0.53 H new ATOM 374 N THR A 23 7.998 8.463 -9.017 1.00 -0.73 N ATOM 375 CA THR A 23 9.363 8.119 -8.630 1.00 0.36 C ATOM 376 C THR A 23 10.354 8.447 -9.760 1.00 0.57 C ATOM 377 O THR A 23 9.966 8.650 -10.916 1.00 -0.57 O ATOM 378 CB THR A 23 9.461 6.656 -8.147 1.00 0.28 C ATOM 379 OG1 THR A 23 10.666 6.480 -7.429 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.446 5.628 -9.280 1.00 0.00 C ATOM 0 H THR A 23 7.360 7.668 -9.055 1.00 -0.73 H new ATOM 0 HA THR A 23 9.645 8.738 -7.778 1.00 0.36 H new ATOM 0 HB THR A 23 8.579 6.485 -7.530 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.479 6.020 -6.584 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.518 4.624 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.517 5.720 -9.843 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.292 5.806 -9.944 1.00 0.00 H new ATOM 388 N ARG A 24 11.646 8.462 -9.416 1.00 -0.73 N ATOM 389 CA ARG A 24 12.717 8.759 -10.359 1.00 0.36 C ATOM 390 C ARG A 24 13.406 7.495 -10.859 1.00 0.57 C ATOM 391 O ARG A 24 13.675 7.392 -12.051 1.00 -0.57 O ATOM 392 CB ARG A 24 13.746 9.686 -9.698 1.00 0.00 C ATOM 393 CG ARG A 24 14.781 10.152 -10.731 1.00 0.00 C ATOM 394 CD ARG A 24 15.971 10.865 -10.081 1.00 0.33 C ATOM 395 NE ARG A 24 16.235 12.163 -10.713 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.616 12.389 -11.976 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.852 11.393 -12.833 1.00 -0.97 N ATOM 398 NH2 ARG A 24 16.739 13.647 -12.379 1.00 -0.97 N ATOM 0 H ARG A 24 11.974 8.267 -8.470 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.271 9.253 -11.222 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.242 10.549 -9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.246 9.164 -8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.140 9.292 -11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.303 10.824 -11.444 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.773 11.011 -9.019 1.00 0.33 H new ATOM 0 HD3 ARG A 24 16.858 10.236 -10.156 1.00 0.33 H new ATOM 0 HE ARG A 24 16.114 12.986 -10.123 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.743 10.425 -12.532 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 17.141 11.600 -13.789 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 16.545 14.411 -11.732 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.028 13.850 -13.336 1.00 -0.97 H new ATOM 412 N ASP A 25 13.759 6.581 -9.948 1.00 -0.73 N ATOM 413 CA ASP A 25 14.618 5.437 -10.257 1.00 0.36 C ATOM 414 C ASP A 25 13.942 4.524 -11.294 1.00 0.57 C ATOM 415 O ASP A 25 14.600 3.985 -12.185 1.00 -0.57 O ATOM 416 CB ASP A 25 14.937 4.705 -8.929 1.00 0.06 C ATOM 417 CG ASP A 25 16.311 4.094 -8.855 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.727 3.656 -9.915 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.962 4.065 -7.695 1.00 -0.65 O ATOM 0 H ASP A 25 13.456 6.616 -8.975 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.556 5.762 -10.707 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.825 5.411 -8.106 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.197 3.919 -8.778 1.00 0.06 H new ATOM 425 N LEU A 26 12.600 4.457 -11.239 1.00 -0.73 N ATOM 426 CA LEU A 26 11.736 3.756 -12.187 1.00 0.36 C ATOM 427 C LEU A 26 10.787 4.758 -12.859 1.00 0.57 C ATOM 428 O LEU A 26 10.465 5.785 -12.262 1.00 -0.57 O ATOM 429 CB LEU A 26 10.890 2.669 -11.488 1.00 0.00 C ATOM 430 CG LEU A 26 11.633 1.448 -10.918 1.00 0.00 C ATOM 431 CD1 LEU A 26 12.834 0.995 -11.764 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.043 1.692 -9.466 1.00 0.00 C ATOM 0 H LEU A 26 12.071 4.913 -10.496 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.377 3.278 -12.927 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.343 3.141 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.149 2.309 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 26 10.922 0.622 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.304 0.130 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.494 0.726 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.557 1.807 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.567 0.816 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.701 2.559 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.154 1.875 -8.863 1.00 0.00 H new ATOM 444 N PRO A 27 10.307 4.475 -14.085 1.00 -0.66 N ATOM 445 CA PRO A 27 9.410 5.376 -14.792 1.00 0.36 C ATOM 446 C PRO A 27 7.973 5.348 -14.249 1.00 0.57 C ATOM 447 O PRO A 27 7.518 4.388 -13.623 1.00 -0.57 O ATOM 448 CB PRO A 27 9.475 4.964 -16.265 1.00 0.00 C ATOM 449 CG PRO A 27 10.028 3.542 -16.273 1.00 0.00 C ATOM 450 CD PRO A 27 10.678 3.334 -14.908 1.00 0.30 C ATOM 0 HA PRO A 27 9.725 6.410 -14.652 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.488 5.003 -16.726 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.118 5.637 -16.832 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.233 2.815 -16.441 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.755 3.411 -17.075 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.336 2.404 -14.455 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.761 3.262 -15.003 1.00 0.30 H new ATOM 458 N HIS A 28 7.222 6.403 -14.579 1.00 -0.73 N ATOM 459 CA HIS A 28 5.829 6.588 -14.181 1.00 0.36 C ATOM 460 C HIS A 28 4.906 5.488 -14.714 1.00 0.57 C ATOM 461 O HIS A 28 4.043 5.000 -13.987 1.00 -0.57 O ATOM 462 CB HIS A 28 5.355 7.979 -14.635 1.00 0.17 C ATOM 463 CG HIS A 28 5.731 8.368 -16.042 1.00 0.18 C ATOM 464 ND1 HIS A 28 5.026 8.102 -17.195 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.833 9.097 -16.401 1.00 0.20 C ATOM 466 CE1 HIS A 28 5.707 8.641 -18.221 1.00 0.65 C ATOM 467 NE2 HIS A 28 6.814 9.261 -17.787 1.00 -0.70 N ATOM 0 H HIS A 28 7.579 7.172 -15.146 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.778 6.517 -13.094 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.270 8.021 -14.543 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.762 8.723 -13.950 1.00 0.17 H new ATOM 0 HD2 HIS A 28 7.587 9.479 -15.728 1.00 0.20 H new ATOM 0 HE1 HIS A 28 5.403 8.583 -19.256 1.00 0.65 H new ATOM 0 HE2 HIS A 28 7.503 9.753 -18.355 1.00 -0.70 H new ATOM 476 N ILE A 29 5.109 5.062 -15.966 1.00 -0.73 N ATOM 477 CA ILE A 29 4.362 3.954 -16.555 1.00 0.36 C ATOM 478 C ILE A 29 4.648 2.640 -15.818 1.00 0.57 C ATOM 479 O ILE A 29 3.732 1.844 -15.637 1.00 -0.57 O ATOM 480 CB ILE A 29 4.632 3.873 -18.074 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.805 2.740 -18.717 1.00 0.00 C ATOM 482 CG2 ILE A 29 6.133 3.729 -18.402 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.608 2.927 -20.226 1.00 0.00 C ATOM 0 H ILE A 29 5.796 5.478 -16.595 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.295 4.138 -16.434 1.00 0.36 H new ATOM 0 HB ILE A 29 4.312 4.821 -18.507 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.302 1.787 -18.536 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.830 2.689 -18.232 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.266 3.677 -19.483 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.675 4.590 -18.011 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.520 2.818 -17.944 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.019 2.099 -20.621 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.085 3.865 -20.411 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.580 2.950 -20.720 1.00 0.00 H new ATOM 495 N THR A 30 5.885 2.425 -15.351 1.00 -0.73 N ATOM 496 CA THR A 30 6.227 1.268 -14.537 1.00 0.36 C ATOM 497 C THR A 30 5.526 1.377 -13.189 1.00 0.57 C ATOM 498 O THR A 30 4.914 0.398 -12.786 1.00 -0.57 O ATOM 499 CB THR A 30 7.752 1.143 -14.413 1.00 0.28 C ATOM 500 OG1 THR A 30 8.254 0.710 -15.659 1.00 -0.68 O ATOM 501 CG2 THR A 30 8.242 0.150 -13.357 1.00 0.00 C ATOM 0 H THR A 30 6.670 3.051 -15.530 1.00 -0.73 H new ATOM 0 HA THR A 30 5.879 0.351 -15.012 1.00 0.36 H new ATOM 0 HB THR A 30 8.109 2.126 -14.106 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.229 0.624 -15.607 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.332 0.136 -13.349 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.876 0.452 -12.376 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.868 -0.846 -13.593 1.00 0.00 H new ATOM 509 N VAL A 31 5.545 2.543 -12.527 1.00 -0.73 N ATOM 510 CA VAL A 31 4.793 2.733 -11.287 1.00 0.36 C ATOM 511 C VAL A 31 3.308 2.426 -11.502 1.00 0.57 C ATOM 512 O VAL A 31 2.771 1.637 -10.728 1.00 -0.57 O ATOM 513 CB VAL A 31 5.044 4.136 -10.692 1.00 0.00 C ATOM 514 CG1 VAL A 31 4.050 4.505 -9.582 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.457 4.196 -10.103 1.00 0.00 C ATOM 0 H VAL A 31 6.071 3.362 -12.831 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.154 2.021 -10.545 1.00 0.36 H new ATOM 0 HB VAL A 31 4.917 4.847 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.279 5.502 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.036 4.493 -9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.128 3.783 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.634 5.186 -9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.556 3.446 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.187 3.999 -10.888 1.00 0.00 H new ATOM 525 N ASP A 32 2.650 2.974 -12.536 1.00 -0.73 N ATOM 526 CA ASP A 32 1.231 2.673 -12.764 1.00 0.36 C ATOM 527 C ASP A 32 1.023 1.196 -13.114 1.00 0.57 C ATOM 528 O ASP A 32 0.046 0.620 -12.658 1.00 -0.57 O ATOM 529 CB ASP A 32 0.579 3.566 -13.826 1.00 0.06 C ATOM 530 CG ASP A 32 -0.939 3.290 -13.954 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.335 2.910 -15.044 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.734 3.498 -12.908 1.00 -0.65 O ATOM 0 H ASP A 32 3.067 3.613 -13.212 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.731 2.891 -11.820 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.738 4.613 -13.568 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.062 3.398 -14.789 1.00 0.06 H new ATOM 538 N ARG A 33 1.930 0.542 -13.856 1.00 -0.73 N ATOM 539 CA ARG A 33 1.838 -0.900 -14.121 1.00 0.36 C ATOM 540 C ARG A 33 2.006 -1.736 -12.861 1.00 0.57 C ATOM 541 O ARG A 33 1.272 -2.710 -12.684 1.00 -0.57 O ATOM 542 CB ARG A 33 2.870 -1.338 -15.174 1.00 0.00 C ATOM 543 CG ARG A 33 2.179 -1.572 -16.518 1.00 0.00 C ATOM 544 CD ARG A 33 3.094 -1.391 -17.727 1.00 0.33 C ATOM 545 NE ARG A 33 3.779 -2.641 -18.081 1.00 -0.84 N ATOM 546 CZ ARG A 33 4.974 -3.070 -17.662 1.00 1.20 C ATOM 547 NH1 ARG A 33 5.707 -2.360 -16.808 1.00 -0.97 N ATOM 548 NH2 ARG A 33 5.431 -4.221 -18.135 1.00 -0.97 N ATOM 0 H ARG A 33 2.739 0.993 -14.284 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.834 -1.075 -14.506 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.640 -0.574 -15.280 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.369 -2.251 -14.848 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.769 -2.582 -16.533 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.337 -0.885 -16.606 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.508 -1.043 -18.578 1.00 0.33 H new ATOM 0 HD3 ARG A 33 3.833 -0.619 -17.512 1.00 0.33 H new ATOM 0 HE ARG A 33 3.283 -3.257 -18.725 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 5.360 -1.467 -16.458 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 6.616 -2.709 -16.503 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 4.874 -4.756 -18.802 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 6.340 -4.572 -17.832 1.00 -0.97 H new ATOM 562 N LEU A 34 2.974 -1.384 -12.015 1.00 -0.73 N ATOM 563 CA LEU A 34 3.225 -2.049 -10.749 1.00 0.36 C ATOM 564 C LEU A 34 2.013 -1.850 -9.847 1.00 0.57 C ATOM 565 O LEU A 34 1.489 -2.833 -9.336 1.00 -0.57 O ATOM 566 CB LEU A 34 4.529 -1.530 -10.111 1.00 0.00 C ATOM 567 CG LEU A 34 5.768 -2.390 -10.446 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.982 -2.692 -11.934 1.00 0.00 C ATOM 569 CD2 LEU A 34 7.007 -1.720 -9.860 1.00 0.00 C ATOM 0 H LEU A 34 3.615 -0.612 -12.200 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.367 -3.119 -10.904 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.706 -0.508 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.404 -1.494 -9.029 1.00 0.00 H new ATOM 0 HG LEU A 34 5.585 -3.365 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.878 -3.301 -12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.119 -3.233 -12.323 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.101 -1.757 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.888 -2.319 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.121 -0.726 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.898 -1.636 -8.779 1.00 0.00 H new ATOM 581 N VAL A 35 1.501 -0.624 -9.707 1.00 -0.73 N ATOM 582 CA VAL A 35 0.266 -0.376 -8.974 1.00 0.36 C ATOM 583 C VAL A 35 -0.914 -1.115 -9.618 1.00 0.57 C ATOM 584 O VAL A 35 -1.676 -1.721 -8.880 1.00 -0.57 O ATOM 585 CB VAL A 35 0.050 1.142 -8.770 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.416 1.583 -8.703 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.731 1.552 -7.455 1.00 0.00 C ATOM 0 H VAL A 35 1.930 0.215 -10.097 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.344 -0.794 -7.970 1.00 0.36 H new ATOM 0 HB VAL A 35 0.477 1.629 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.465 2.662 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.918 1.318 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.909 1.083 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.591 2.620 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.289 0.997 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.797 1.330 -7.513 1.00 0.00 H new ATOM 597 N SER A 36 -1.050 -1.150 -10.949 1.00 -0.73 N ATOM 598 CA SER A 36 -2.107 -1.892 -11.627 1.00 0.36 C ATOM 599 C SER A 36 -2.030 -3.371 -11.255 1.00 0.57 C ATOM 600 O SER A 36 -3.033 -3.911 -10.794 1.00 -0.57 O ATOM 601 CB SER A 36 -2.035 -1.701 -13.151 1.00 0.28 C ATOM 602 OG SER A 36 -2.868 -0.640 -13.579 1.00 -0.68 O ATOM 0 H SER A 36 -0.423 -0.659 -11.586 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.069 -1.499 -11.296 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.005 -1.498 -13.445 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.333 -2.623 -13.649 1.00 0.28 H new ATOM 0 HG SER A 36 -2.799 -0.542 -14.552 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.872 -4.036 -11.407 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.769 -5.460 -11.079 1.00 0.36 C ATOM 610 C LYS A 37 -0.895 -5.689 -9.559 1.00 0.57 C ATOM 611 O LYS A 37 -1.520 -6.667 -9.160 1.00 -0.57 O ATOM 612 CB LYS A 37 0.470 -6.118 -11.729 1.00 0.00 C ATOM 613 CG LYS A 37 1.792 -5.790 -11.029 1.00 0.00 C ATOM 614 CD LYS A 37 3.060 -6.422 -11.622 1.00 0.00 C ATOM 615 CE LYS A 37 3.576 -5.729 -12.891 1.00 0.50 C ATOM 616 NZ LYS A 37 3.492 -6.616 -14.061 1.00 -0.85 N ATOM 0 H LYS A 37 -0.009 -3.614 -11.750 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.617 -5.980 -11.525 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.333 -7.199 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.533 -5.799 -12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.919 -4.707 -11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.712 -6.100 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.847 -6.406 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.858 -7.469 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.995 -4.826 -13.075 1.00 0.50 H new ATOM 0 HE3 LYS A 37 4.610 -5.418 -12.742 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.848 -6.117 -14.901 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 4.067 -7.467 -13.894 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 2.502 -6.892 -14.217 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.369 -4.794 -8.709 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.448 -4.894 -7.251 1.00 0.36 C ATOM 632 C ALA A 38 -1.883 -4.711 -6.746 1.00 0.57 C ATOM 633 O ALA A 38 -2.346 -5.484 -5.908 1.00 -0.57 O ATOM 634 CB ALA A 38 0.451 -3.827 -6.616 1.00 0.00 C ATOM 0 H ALA A 38 0.133 -3.965 -9.027 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.114 -5.892 -6.966 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.392 -3.901 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.482 -3.983 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.119 -2.838 -6.931 1.00 0.00 H new ATOM 640 N LEU A 39 -2.604 -3.715 -7.271 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.023 -3.525 -7.000 1.00 0.36 C ATOM 642 C LEU A 39 -4.824 -4.684 -7.567 1.00 0.57 C ATOM 643 O LEU A 39 -5.776 -5.102 -6.919 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.553 -2.210 -7.598 1.00 0.00 C ATOM 645 CG LEU A 39 -4.182 -0.955 -6.791 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.591 0.296 -7.575 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.888 -0.926 -5.427 1.00 0.00 C ATOM 0 H LEU A 39 -2.211 -3.015 -7.900 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.140 -3.480 -5.917 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.167 -2.104 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.639 -2.271 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.105 -0.976 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.328 1.186 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.069 0.312 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.667 0.281 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.600 -0.024 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.968 -0.930 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.598 -1.803 -4.848 1.00 0.00 H new ATOM 659 N ASN A 40 -4.435 -5.235 -8.726 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.026 -6.469 -9.236 1.00 0.36 C ATOM 661 C ASN A 40 -4.861 -7.570 -8.195 1.00 0.57 C ATOM 662 O ASN A 40 -5.832 -8.230 -7.861 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.396 -6.920 -10.570 1.00 0.06 C ATOM 664 CG ASN A 40 -5.447 -7.213 -11.633 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.292 -8.077 -11.457 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.386 -6.525 -12.767 1.00 -0.80 N ATOM 0 H ASN A 40 -3.711 -4.840 -9.326 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.081 -6.275 -9.428 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.722 -6.144 -10.932 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.793 -7.812 -10.402 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.054 -6.713 -13.514 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.671 -5.808 -12.891 1.00 -0.80 H new ATOM 673 N MET A 41 -3.651 -7.751 -7.659 1.00 -0.73 N ATOM 674 CA MET A 41 -3.362 -8.756 -6.644 1.00 0.36 C ATOM 675 C MET A 41 -4.176 -8.510 -5.357 1.00 0.57 C ATOM 676 O MET A 41 -4.651 -9.474 -4.770 1.00 -0.57 O ATOM 677 CB MET A 41 -1.841 -8.810 -6.409 1.00 0.00 C ATOM 678 CG MET A 41 -1.055 -9.410 -7.581 1.00 0.23 C ATOM 679 SD MET A 41 0.671 -8.851 -7.733 1.00 -0.46 S ATOM 680 CE MET A 41 1.398 -9.417 -6.171 1.00 0.23 C ATOM 0 H MET A 41 -2.838 -7.195 -7.924 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.678 -9.739 -6.995 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.476 -7.801 -6.218 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.642 -9.396 -5.512 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.060 -10.495 -7.482 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.579 -9.172 -8.507 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.451 -9.138 -6.138 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.873 -8.953 -5.336 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.307 -10.501 -6.099 1.00 0.23 H new ATOM 690 N TRP A 42 -4.419 -7.256 -4.956 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.322 -6.921 -3.847 1.00 0.36 C ATOM 692 C TRP A 42 -6.799 -7.218 -4.182 1.00 0.57 C ATOM 693 O TRP A 42 -7.486 -7.910 -3.430 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.115 -5.445 -3.457 1.00 0.18 C ATOM 695 CG TRP A 42 -4.204 -5.239 -2.289 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.869 -5.011 -2.313 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.566 -5.293 -0.881 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.396 -4.927 -1.018 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.383 -5.194 -0.103 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.779 -5.438 -0.185 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.393 -5.326 1.288 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.803 -5.543 1.219 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.610 -5.513 1.958 1.00 -0.15 C ATOM 0 H TRP A 42 -3.992 -6.440 -5.394 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.076 -7.557 -2.997 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.713 -4.907 -4.316 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.085 -5.002 -3.229 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.268 -4.911 -3.205 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.433 -4.695 -0.773 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.707 -5.469 -0.736 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.468 -5.284 1.844 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.748 -5.648 1.732 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.630 -5.633 3.031 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.289 -6.737 -5.331 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.659 -6.936 -5.805 1.00 0.36 C ATOM 716 C GLY A 43 -8.926 -8.367 -6.278 1.00 0.57 C ATOM 717 O GLY A 43 -10.067 -8.732 -6.537 1.00 -0.57 O ATOM 0 H GLY A 43 -6.724 -6.182 -5.974 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.355 -6.688 -5.003 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.858 -6.245 -6.624 1.00 0.36 H new ATOM 721 N LYS A 44 -7.895 -9.206 -6.370 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.038 -10.636 -6.605 1.00 0.36 C ATOM 723 C LYS A 44 -8.510 -11.371 -5.353 1.00 0.57 C ATOM 724 O LYS A 44 -8.873 -12.539 -5.470 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.722 -11.209 -7.146 1.00 0.00 C ATOM 726 CG LYS A 44 -6.770 -11.197 -8.679 1.00 0.00 C ATOM 727 CD LYS A 44 -5.422 -11.596 -9.275 1.00 0.00 C ATOM 728 CE LYS A 44 -5.626 -11.915 -10.759 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.490 -12.678 -11.308 1.00 -0.85 N ATOM 0 H LYS A 44 -6.925 -8.904 -6.282 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.812 -10.788 -7.357 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.878 -10.617 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.575 -12.226 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.542 -11.883 -9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.046 -10.202 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.701 -10.788 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.018 -12.463 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.545 -12.487 -10.886 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.747 -10.987 -11.318 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -4.660 -12.878 -12.314 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.617 -12.121 -11.208 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.391 -13.574 -10.789 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.569 -10.703 -4.197 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.029 -11.311 -2.958 1.00 0.36 C ATOM 745 C GLU A 45 -10.394 -10.768 -2.516 1.00 0.57 C ATOM 746 O GLU A 45 -11.031 -11.392 -1.667 1.00 -0.57 O ATOM 747 CB GLU A 45 -7.998 -11.068 -1.853 1.00 0.00 C ATOM 748 CG GLU A 45 -6.545 -11.408 -2.180 1.00 0.06 C ATOM 749 CD GLU A 45 -6.342 -12.891 -2.544 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.919 -13.728 -1.870 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -5.569 -13.189 -3.584 1.00 -0.65 O ATOM 0 H GLU A 45 -8.297 -9.725 -4.100 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.144 -12.380 -3.140 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.045 -10.017 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.294 -11.648 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.210 -10.786 -3.010 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -5.918 -11.161 -1.323 1.00 0.06 H new ATOM 759 N ILE A 46 -10.863 -9.639 -3.071 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.141 -9.010 -2.722 1.00 0.36 C ATOM 761 C ILE A 46 -12.816 -8.420 -3.957 1.00 0.57 C ATOM 762 O ILE A 46 -12.124 -7.882 -4.811 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.986 -7.885 -1.663 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.792 -6.924 -1.872 1.00 0.00 C ATOM 765 CG2 ILE A 46 -12.001 -8.557 -0.296 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.723 -5.794 -0.827 1.00 0.00 C ATOM 0 H ILE A 46 -10.351 -9.129 -3.791 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.756 -9.803 -2.297 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.824 -7.196 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.865 -7.496 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.859 -6.484 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.894 -7.801 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.944 -9.086 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.175 -9.265 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.862 -5.159 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.634 -5.198 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.624 -6.225 0.169 1.00 0.00 H new ATOM 778 N PRO A 47 -14.160 -8.384 -4.014 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.910 -7.803 -5.127 1.00 0.36 C ATOM 780 C PRO A 47 -14.859 -6.258 -5.158 1.00 0.57 C ATOM 781 O PRO A 47 -15.705 -5.613 -5.790 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.324 -8.372 -4.965 1.00 0.00 C ATOM 783 CG PRO A 47 -16.485 -8.580 -3.460 1.00 0.00 C ATOM 784 CD PRO A 47 -15.066 -8.867 -2.976 1.00 0.30 C ATOM 0 HA PRO A 47 -14.480 -8.066 -6.093 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -17.075 -7.684 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.439 -9.309 -5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.901 -7.696 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.157 -9.409 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.872 -8.364 -2.029 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.924 -9.934 -2.805 1.00 0.30 H new ATOM 792 N LEU A 48 -13.882 -5.662 -4.465 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.623 -4.232 -4.403 1.00 0.36 C ATOM 794 C LEU A 48 -12.826 -3.861 -5.648 1.00 0.57 C ATOM 795 O LEU A 48 -11.921 -4.592 -6.049 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.838 -3.919 -3.115 1.00 0.00 C ATOM 797 CG LEU A 48 -13.222 -2.582 -2.446 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.879 -2.649 -0.953 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.534 -1.367 -3.078 1.00 0.00 C ATOM 0 H LEU A 48 -13.220 -6.199 -3.905 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.546 -3.653 -4.378 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.996 -4.728 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.773 -3.903 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.293 -2.446 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.148 -1.707 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.435 -3.463 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.810 -2.824 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.848 -0.461 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.453 -1.477 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.811 -1.298 -4.130 1.00 0.00 H new ATOM 811 N HIS A 49 -13.171 -2.730 -6.258 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.604 -2.288 -7.521 1.00 0.36 C ATOM 813 C HIS A 49 -12.050 -0.871 -7.356 1.00 0.57 C ATOM 814 O HIS A 49 -12.275 -0.202 -6.347 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.684 -2.375 -8.608 1.00 0.17 C ATOM 816 CG HIS A 49 -14.024 -3.782 -9.044 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.693 -4.754 -8.326 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.743 -4.321 -10.272 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.796 -5.841 -9.110 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.243 -5.624 -10.317 1.00 -0.70 N ATOM 0 H HIS A 49 -13.865 -2.086 -5.878 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.776 -2.928 -7.825 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.590 -1.893 -8.241 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.352 -1.809 -9.478 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.045 -4.663 -7.373 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.221 -3.820 -11.074 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.262 -6.768 -8.810 1.00 0.65 H new ATOM 829 N PHE A 50 -11.319 -0.398 -8.366 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.555 0.833 -8.293 1.00 0.36 C ATOM 831 C PHE A 50 -10.726 1.550 -9.623 1.00 0.57 C ATOM 832 O PHE A 50 -10.909 0.908 -10.665 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.064 0.552 -7.996 1.00 0.14 C ATOM 834 CG PHE A 50 -8.787 -0.660 -7.117 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.809 -1.950 -7.682 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.555 -0.513 -5.738 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.640 -3.084 -6.869 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.399 -1.649 -4.924 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.439 -2.935 -5.488 1.00 -0.15 C ATOM 0 H PHE A 50 -11.245 -0.871 -9.267 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.918 1.456 -7.476 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.542 0.419 -8.943 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.635 1.432 -7.517 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.956 -2.068 -8.745 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.497 0.474 -5.303 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.665 -4.071 -7.307 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.248 -1.532 -3.861 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.316 -3.806 -4.861 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.648 2.881 -9.596 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.760 3.703 -10.788 1.00 0.36 C ATOM 851 C ARG A 51 -9.713 4.807 -10.725 1.00 0.57 C ATOM 852 O ARG A 51 -9.359 5.280 -9.643 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.193 4.257 -10.894 1.00 0.00 C ATOM 854 CG ARG A 51 -12.557 4.635 -12.341 1.00 0.00 C ATOM 855 CD ARG A 51 -12.897 6.119 -12.510 1.00 0.33 C ATOM 856 NE ARG A 51 -12.950 6.462 -13.941 1.00 -0.84 N ATOM 857 CZ ARG A 51 -13.717 7.395 -14.521 1.00 1.20 C ATOM 858 NH1 ARG A 51 -14.532 8.166 -13.807 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -13.667 7.545 -15.844 1.00 -0.97 N ATOM 0 H ARG A 51 -10.505 3.416 -8.739 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.572 3.115 -11.687 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.898 3.512 -10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.291 5.134 -10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.723 4.383 -12.996 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.408 4.035 -12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.856 6.337 -12.039 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -12.148 6.732 -12.008 1.00 0.33 H new ATOM 0 HE ARG A 51 -12.336 5.931 -14.558 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -14.583 8.054 -12.794 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -15.106 8.869 -14.272 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -13.051 6.954 -16.401 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -14.245 8.251 -16.299 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.239 5.231 -11.896 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.226 6.262 -12.015 1.00 0.36 C ATOM 875 C LYS A 52 -8.919 7.508 -12.530 1.00 0.57 C ATOM 876 O LYS A 52 -9.672 7.435 -13.504 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.091 5.787 -12.936 1.00 0.00 C ATOM 878 CG LYS A 52 -5.828 6.635 -12.718 1.00 0.00 C ATOM 879 CD LYS A 52 -4.585 6.053 -13.417 1.00 0.00 C ATOM 880 CE LYS A 52 -3.909 7.044 -14.373 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.525 7.077 -15.715 1.00 -0.85 N ATOM 0 H LYS A 52 -9.554 4.861 -12.793 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.759 6.484 -11.055 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.870 4.738 -12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.407 5.856 -13.977 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.007 7.645 -13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.632 6.717 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.865 5.739 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.873 5.161 -13.973 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.950 8.043 -13.938 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -2.856 6.782 -14.471 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -4.022 7.765 -16.311 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -4.464 6.134 -16.148 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -5.524 7.355 -15.632 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.690 8.621 -11.838 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.205 9.936 -12.195 1.00 0.36 C ATOM 897 C VAL A 53 -8.440 10.483 -13.413 1.00 0.57 C ATOM 898 O VAL A 53 -7.415 9.928 -13.811 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.107 10.870 -10.966 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.840 10.291 -9.744 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.650 11.146 -10.593 1.00 0.00 C ATOM 0 H VAL A 53 -8.124 8.631 -10.989 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.255 9.871 -12.480 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.590 11.805 -11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.746 10.979 -8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.894 10.153 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.400 9.330 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.615 11.805 -9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.151 10.207 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.144 11.623 -11.432 1.00 0.00 H new ATOM 911 N VAL A 54 -8.911 11.607 -13.962 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.245 12.321 -15.057 1.00 0.36 C ATOM 913 C VAL A 54 -7.759 13.699 -14.588 1.00 0.57 C ATOM 914 O VAL A 54 -6.655 14.117 -14.929 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.180 12.405 -16.289 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.458 11.002 -16.854 1.00 0.00 C ATOM 917 CG2 VAL A 54 -10.532 13.092 -16.014 1.00 0.00 C ATOM 0 H VAL A 54 -9.776 12.052 -13.655 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.359 11.765 -15.364 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.641 13.022 -17.008 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.117 11.082 -17.719 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.519 10.538 -17.155 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.936 10.390 -16.089 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.125 13.108 -16.929 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.070 12.541 -15.243 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.359 14.114 -15.676 1.00 0.00 H new ATOM 927 N TRP A 55 -8.557 14.380 -13.755 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.293 15.706 -13.213 1.00 0.36 C ATOM 929 C TRP A 55 -9.294 15.953 -12.076 1.00 0.57 C ATOM 930 O TRP A 55 -10.305 16.632 -12.242 1.00 -0.57 O ATOM 931 CB TRP A 55 -8.348 16.776 -14.316 1.00 0.18 C ATOM 932 CG TRP A 55 -8.011 18.165 -13.862 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -6.777 18.627 -13.557 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -8.919 19.284 -13.630 1.00 0.00 C ATOM 935 NE1 TRP A 55 -6.858 19.941 -13.145 1.00 0.03 N ATOM 936 CE2 TRP A 55 -8.158 20.404 -13.178 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -10.316 19.454 -13.746 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -8.759 21.634 -12.866 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -10.928 20.685 -13.444 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -10.153 21.769 -13.001 1.00 -0.15 C ATOM 0 H TRP A 55 -9.445 13.997 -13.429 1.00 -0.73 H new ATOM 0 HA TRP A 55 -7.283 15.768 -12.808 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -7.660 16.492 -15.113 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -9.349 16.783 -14.747 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.865 18.053 -13.626 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -6.057 20.501 -12.852 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -10.926 18.625 -14.072 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -8.159 22.466 -12.527 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -11.997 20.796 -13.553 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -10.628 22.709 -12.763 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.052 15.300 -10.938 1.00 -0.73 N ATOM 952 CA GLY A 56 -9.759 15.533 -9.689 1.00 0.36 C ATOM 953 C GLY A 56 -9.000 14.838 -8.567 1.00 0.57 C ATOM 954 O GLY A 56 -8.141 13.995 -8.831 1.00 -0.57 O ATOM 0 H GLY A 56 -8.338 14.575 -10.864 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -9.834 16.602 -9.490 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -10.777 15.148 -9.753 1.00 0.36 H new ATOM 958 N THR A 57 -9.268 15.198 -7.317 1.00 -0.73 N ATOM 959 CA THR A 57 -8.703 14.543 -6.151 1.00 0.36 C ATOM 960 C THR A 57 -9.283 13.125 -6.035 1.00 0.57 C ATOM 961 O THR A 57 -10.451 12.870 -6.365 1.00 -0.57 O ATOM 962 CB THR A 57 -8.950 15.411 -4.899 1.00 0.28 C ATOM 963 OG1 THR A 57 -10.288 15.865 -4.852 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.054 16.659 -4.907 1.00 0.00 C ATOM 0 H THR A 57 -9.896 15.968 -7.085 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.623 14.437 -6.248 1.00 0.36 H new ATOM 0 HB THR A 57 -8.726 14.782 -4.037 1.00 0.28 H new ATOM 0 HG1 THR A 57 -10.420 16.411 -4.049 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.249 17.252 -4.014 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.007 16.355 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.269 17.256 -5.793 1.00 0.00 H new ATOM 972 N ALA A 58 -8.445 12.198 -5.566 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.747 10.781 -5.514 1.00 0.36 C ATOM 974 C ALA A 58 -8.652 10.307 -4.068 1.00 0.57 C ATOM 975 O ALA A 58 -7.913 10.889 -3.271 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.768 10.031 -6.417 1.00 0.00 C ATOM 0 H ALA A 58 -7.518 12.425 -5.205 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.758 10.586 -5.871 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -7.987 8.964 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.869 10.391 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.749 10.203 -6.071 1.00 0.00 H new ATOM 982 N ASP A 59 -9.395 9.247 -3.737 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.425 8.694 -2.387 1.00 0.36 C ATOM 984 C ASP A 59 -8.016 8.226 -1.976 1.00 0.57 C ATOM 985 O ASP A 59 -7.651 8.366 -0.808 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.417 7.525 -2.274 1.00 0.06 C ATOM 987 CG ASP A 59 -11.876 7.775 -2.697 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.438 6.867 -3.287 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.504 8.889 -2.333 1.00 -0.65 O ATOM 0 H ASP A 59 -9.991 8.751 -4.400 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.759 9.483 -1.713 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.032 6.700 -2.874 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.422 7.190 -1.237 1.00 0.06 H new ATOM 995 N ILE A 60 -7.221 7.743 -2.944 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.857 7.229 -2.804 1.00 0.36 C ATOM 997 C ILE A 60 -4.936 8.079 -3.704 1.00 0.57 C ATOM 998 O ILE A 60 -4.623 7.716 -4.841 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.837 5.719 -3.163 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.771 4.857 -2.286 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.427 5.095 -3.109 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.462 3.766 -3.106 1.00 0.00 C ATOM 0 H ILE A 60 -7.541 7.700 -3.912 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.495 7.309 -1.779 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.202 5.707 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.196 4.399 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.523 5.493 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.486 4.039 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.775 5.608 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.022 5.197 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.111 3.179 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.057 4.226 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.710 3.115 -3.552 1.00 0.00 H new ATOM 1014 N MET A 61 -4.532 9.255 -3.223 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.477 10.073 -3.805 1.00 0.36 C ATOM 1016 C MET A 61 -2.134 9.469 -3.398 1.00 0.57 C ATOM 1017 O MET A 61 -1.750 9.522 -2.228 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.595 11.524 -3.301 1.00 0.00 C ATOM 1019 CG MET A 61 -2.555 12.465 -3.925 1.00 0.23 C ATOM 1020 SD MET A 61 -1.593 13.448 -2.733 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.814 14.718 -2.306 1.00 0.23 C ATOM 0 H MET A 61 -4.946 9.675 -2.391 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.562 10.090 -4.892 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.594 11.899 -3.522 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.483 11.536 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.865 11.872 -4.525 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.066 13.146 -4.606 1.00 0.23 H new ATOM 0 HE1 MET A 61 -2.383 15.408 -1.580 1.00 0.23 H new ATOM 0 HE2 MET A 61 -3.097 15.267 -3.204 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.697 14.244 -1.877 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.406 8.919 -4.366 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.039 8.458 -4.191 1.00 0.36 C ATOM 1033 C ILE A 62 0.856 9.611 -4.639 1.00 0.57 C ATOM 1034 O ILE A 62 0.696 10.135 -5.744 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.179 7.175 -5.022 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.747 6.031 -4.536 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.642 6.698 -4.981 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.560 5.448 -5.694 1.00 0.00 C ATOM 0 H ILE A 62 -1.761 8.780 -5.312 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.192 8.196 -3.159 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.069 7.430 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.148 5.245 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.422 6.407 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.747 5.793 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.290 7.476 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.927 6.486 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.200 4.648 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.177 6.231 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.883 5.050 -6.450 1.00 0.00 H new ATOM 1050 N GLY A 63 1.801 10.013 -3.792 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.754 11.052 -4.140 1.00 0.36 C ATOM 1052 C GLY A 63 4.150 10.691 -3.681 1.00 0.57 C ATOM 1053 O GLY A 63 4.347 9.841 -2.818 1.00 -0.57 O ATOM 0 H GLY A 63 1.923 9.629 -2.855 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.751 11.205 -5.219 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.451 11.995 -3.684 1.00 0.36 H new ATOM 1057 N PHE A 64 5.119 11.387 -4.254 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.526 11.221 -3.953 1.00 0.36 C ATOM 1059 C PHE A 64 7.056 12.608 -3.608 1.00 0.57 C ATOM 1060 O PHE A 64 6.619 13.613 -4.189 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.269 10.532 -5.116 1.00 0.14 C ATOM 1062 CG PHE A 64 6.568 9.303 -5.662 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.476 9.468 -6.525 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.933 8.009 -5.252 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.745 8.364 -6.972 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.154 6.906 -5.643 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.072 7.082 -6.524 1.00 -0.15 C ATOM 0 H PHE A 64 4.940 12.101 -4.960 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.690 10.555 -3.106 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.400 11.251 -5.925 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.265 10.248 -4.778 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.196 10.460 -6.848 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.810 7.863 -4.638 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.927 8.502 -7.664 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.387 5.921 -5.266 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.496 6.229 -6.853 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.941 12.649 -2.617 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.595 13.830 -2.072 1.00 0.36 C ATOM 1079 C ALA A 65 10.010 13.408 -1.675 1.00 0.57 C ATOM 1080 O ALA A 65 10.295 12.219 -1.637 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.813 14.329 -0.847 1.00 0.00 C ATOM 0 H ALA A 65 8.240 11.797 -2.142 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.630 14.642 -2.799 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.302 15.213 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.795 14.582 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.786 13.546 -0.089 1.00 0.00 H new ATOM 1087 N ARG A 66 10.894 14.354 -1.350 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.295 14.067 -1.011 1.00 0.36 C ATOM 1089 C ARG A 66 12.609 14.322 0.469 1.00 0.57 C ATOM 1090 O ARG A 66 13.762 14.252 0.881 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.208 14.915 -1.919 1.00 0.00 C ATOM 1092 CG ARG A 66 13.042 16.419 -1.635 1.00 0.00 C ATOM 1093 CD ARG A 66 13.995 17.280 -2.467 1.00 0.33 C ATOM 1094 NE ARG A 66 14.075 18.647 -1.914 1.00 -0.84 N ATOM 1095 CZ ARG A 66 14.808 19.026 -0.849 1.00 1.20 C ATOM 1096 NH1 ARG A 66 15.602 18.151 -0.222 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.734 20.287 -0.415 1.00 -0.97 N ATOM 0 H ARG A 66 10.660 15.346 -1.314 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.477 13.006 -1.180 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.248 14.626 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.974 14.712 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.014 16.714 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.218 16.607 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.987 16.828 -2.479 1.00 0.33 H new ATOM 0 HD3 ARG A 66 13.650 17.319 -3.500 1.00 0.33 H new ATOM 0 HE ARG A 66 13.526 19.369 -2.380 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 15.657 17.186 -0.549 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.153 18.448 0.583 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.126 20.955 -0.889 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.286 20.582 0.391 1.00 -0.97 H new ATOM 1111 N GLY A 67 11.629 14.774 1.246 1.00 -0.73 N ATOM 1112 CA GLY A 67 11.811 15.340 2.570 1.00 0.36 C ATOM 1113 C GLY A 67 10.484 15.930 3.031 1.00 0.57 C ATOM 1114 O GLY A 67 9.420 15.385 2.715 1.00 -0.57 O ATOM 0 H GLY A 67 10.651 14.753 0.956 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 12.147 14.572 3.267 1.00 0.36 H new ATOM 0 HA3 GLY A 67 12.581 16.111 2.550 1.00 0.36 H new ATOM 1118 N ALA A 68 10.534 17.045 3.768 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.332 17.752 4.188 1.00 0.36 C ATOM 1120 C ALA A 68 8.402 18.035 2.996 1.00 0.57 C ATOM 1121 O ALA A 68 8.847 18.329 1.877 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.693 19.038 4.937 1.00 0.00 C ATOM 0 H ALA A 68 11.403 17.475 4.085 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.785 17.107 4.876 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.780 19.550 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.283 18.791 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.274 19.689 4.283 1.00 0.00 H new ATOM 1128 N HIS A 69 7.103 17.927 3.269 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.016 18.124 2.334 1.00 0.36 C ATOM 1130 C HIS A 69 4.810 18.593 3.158 1.00 0.57 C ATOM 1131 O HIS A 69 4.719 18.302 4.353 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.753 16.825 1.535 1.00 0.17 C ATOM 1133 CG HIS A 69 5.658 15.531 2.323 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.672 14.880 2.997 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.557 14.721 2.404 1.00 0.20 C ATOM 1136 CE1 HIS A 69 6.156 13.756 3.531 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.875 13.598 3.168 1.00 -0.70 N ATOM 0 H HIS A 69 6.771 17.686 4.203 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.247 18.879 1.582 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.823 16.952 0.981 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.549 16.714 0.799 1.00 0.17 H new ATOM 0 HD1 HIS A 69 7.639 15.194 3.076 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 3.597 14.919 1.950 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.701 13.074 4.166 1.00 0.65 H new ATOM 1146 N GLY A 70 3.906 19.354 2.540 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.741 19.903 3.216 1.00 0.36 C ATOM 1148 C GLY A 70 1.619 18.880 3.239 1.00 0.57 C ATOM 1149 O GLY A 70 0.719 18.953 2.402 1.00 -0.57 O ATOM 0 H GLY A 70 3.966 19.605 1.553 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.003 20.189 4.235 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.408 20.807 2.707 1.00 0.36 H new ATOM 1153 N ASP A 71 1.680 17.927 4.174 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.673 16.877 4.333 1.00 0.36 C ATOM 1155 C ASP A 71 0.123 16.842 5.768 1.00 0.57 C ATOM 1156 O ASP A 71 -1.081 16.996 5.961 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.274 15.525 3.906 1.00 0.06 C ATOM 1158 CG ASP A 71 2.270 14.946 4.916 1.00 0.66 C ATOM 1159 OD1 ASP A 71 3.093 15.697 5.412 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.086 13.681 5.282 1.00 -0.65 O ATOM 0 H ASP A 71 2.441 17.864 4.850 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.178 17.093 3.687 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.466 14.810 3.756 1.00 0.06 H new ATOM 0 HB3 ASP A 71 1.774 15.647 2.945 1.00 0.06 H new ATOM 1166 N SER A 72 1.006 16.685 6.761 1.00 -0.73 N ATOM 1167 CA SER A 72 0.737 16.375 8.158 1.00 0.36 C ATOM 1168 C SER A 72 2.060 16.090 8.895 1.00 0.57 C ATOM 1169 O SER A 72 2.183 16.504 10.046 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.178 15.138 8.288 1.00 0.28 C ATOM 1171 OG SER A 72 -1.307 15.386 9.106 1.00 -0.68 O ATOM 0 H SER A 72 2.007 16.781 6.587 1.00 -0.73 H new ATOM 0 HA SER A 72 0.235 17.236 8.600 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.511 14.830 7.297 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.394 14.308 8.704 1.00 0.28 H new ATOM 0 HG SER A 72 -1.857 14.577 9.158 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.050 15.418 8.273 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.275 14.994 8.961 1.00 0.36 C ATOM 1179 C TYR A 73 5.466 15.014 7.995 1.00 0.57 C ATOM 1180 O TYR A 73 5.437 14.302 6.989 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.131 13.572 9.535 1.00 0.14 C ATOM 1182 CG TYR A 73 2.974 13.393 10.499 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.005 14.023 11.757 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.847 12.641 10.113 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.892 13.944 12.611 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.731 12.552 10.966 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.746 13.221 12.214 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.332 13.170 13.047 1.00 -0.53 O ATOM 0 H TYR A 73 3.019 15.158 7.287 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.446 15.694 9.779 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.010 12.872 8.709 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.056 13.305 10.046 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.885 14.568 12.066 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.839 12.132 9.161 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 1.913 14.437 13.572 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.133 11.976 10.670 1.00 -0.15 H new ATOM 0 HH TYR A 73 -1.041 12.636 12.632 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.547 15.757 8.301 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.722 15.758 7.452 1.00 0.36 C ATOM 1200 C PRO A 74 8.399 14.384 7.477 1.00 0.57 C ATOM 1201 O PRO A 74 8.537 13.758 8.535 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.629 16.873 7.979 1.00 0.00 C ATOM 1203 CG PRO A 74 8.198 17.084 9.431 1.00 0.00 C ATOM 1204 CD PRO A 74 6.776 16.526 9.516 1.00 0.30 C ATOM 0 HA PRO A 74 7.475 15.945 6.407 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.680 16.589 7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.511 17.786 7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.866 16.565 10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.223 18.140 9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.661 15.896 10.398 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.049 17.334 9.604 1.00 0.30 H new ATOM 1212 N PHE A 75 8.849 13.957 6.292 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.744 12.822 6.121 1.00 0.36 C ATOM 1214 C PHE A 75 11.096 13.074 6.805 1.00 0.57 C ATOM 1215 O PHE A 75 11.337 14.075 7.481 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.917 12.487 4.613 1.00 0.14 C ATOM 1217 CG PHE A 75 8.967 11.467 4.022 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.671 10.268 4.705 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.438 11.685 2.735 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.781 9.340 4.144 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.549 10.756 2.172 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.209 9.598 2.891 1.00 -0.15 C ATOM 0 H PHE A 75 8.592 14.404 5.412 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.296 11.955 6.606 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.815 13.413 4.047 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.935 12.130 4.460 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.130 10.065 5.661 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.717 12.569 2.180 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.538 8.432 4.675 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 7.129 10.930 1.192 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.499 8.899 2.474 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.965 12.098 6.598 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.268 11.847 7.173 1.00 0.36 C ATOM 1234 C ASP A 76 14.349 11.948 6.078 1.00 0.57 C ATOM 1235 O ASP A 76 15.429 12.469 6.357 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.206 10.400 7.722 1.00 0.06 C ATOM 1237 CG ASP A 76 12.664 9.339 6.741 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.175 9.660 5.670 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.725 8.055 7.081 1.00 -0.65 O ATOM 0 H ASP A 76 11.735 11.364 5.928 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.516 12.567 7.953 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.208 10.104 8.032 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.582 10.396 8.616 1.00 0.06 H new ATOM 1245 N GLY A 77 14.078 11.518 4.835 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.045 11.546 3.743 1.00 0.36 C ATOM 1247 C GLY A 77 15.744 10.186 3.597 1.00 0.57 C ATOM 1248 O GLY A 77 15.114 9.170 3.865 1.00 -0.57 O ATOM 0 H GLY A 77 13.171 11.139 4.565 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.541 11.802 2.811 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.787 12.323 3.928 1.00 0.36 H new ATOM 1252 N PRO A 78 17.020 10.121 3.173 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.746 8.892 2.830 1.00 0.36 C ATOM 1254 C PRO A 78 18.221 8.075 4.056 1.00 0.57 C ATOM 1255 O PRO A 78 19.421 8.010 4.351 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.868 9.355 1.893 1.00 0.00 C ATOM 1257 CG PRO A 78 19.178 10.775 2.363 1.00 0.00 C ATOM 1258 CD PRO A 78 17.843 11.287 2.897 1.00 0.30 C ATOM 0 HA PRO A 78 17.100 8.166 2.337 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.743 8.709 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.550 9.340 0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.946 10.781 3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.545 11.395 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.990 11.878 3.801 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.359 11.936 2.167 1.00 0.30 H new ATOM 1266 N GLY A 79 17.273 7.460 4.774 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.435 6.604 5.952 1.00 0.36 C ATOM 1268 C GLY A 79 16.105 6.524 6.719 1.00 0.57 C ATOM 1269 O GLY A 79 15.234 7.344 6.466 1.00 -0.57 O ATOM 0 H GLY A 79 16.289 7.558 4.523 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.752 5.606 5.648 1.00 0.36 H new ATOM 0 HA3 GLY A 79 18.216 7.003 6.599 1.00 0.36 H new ATOM 1273 N ASN A 80 15.942 5.598 7.678 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.717 5.372 8.480 1.00 0.36 C ATOM 1275 C ASN A 80 13.505 4.889 7.637 1.00 0.57 C ATOM 1276 O ASN A 80 13.708 4.038 6.767 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.466 6.551 9.454 1.00 0.06 C ATOM 1278 CG ASN A 80 13.812 6.136 10.771 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.936 4.999 11.217 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.112 7.054 11.429 1.00 -0.80 N ATOM 0 H ASN A 80 16.692 4.954 7.931 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.882 4.513 9.130 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.416 7.040 9.669 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.832 7.288 8.961 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.669 6.818 12.317 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 13.018 7.995 11.046 1.00 -0.80 H new ATOM 1287 N THR A 81 12.263 5.299 7.944 1.00 -0.73 N ATOM 1288 CA THR A 81 11.014 5.041 7.197 1.00 0.36 C ATOM 1289 C THR A 81 11.200 5.313 5.681 1.00 0.57 C ATOM 1290 O THR A 81 12.020 6.130 5.314 1.00 -0.57 O ATOM 1291 CB THR A 81 9.955 5.970 7.848 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.880 5.680 9.236 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.516 5.906 7.322 1.00 0.00 C ATOM 0 H THR A 81 12.090 5.859 8.779 1.00 -0.73 H new ATOM 0 HA THR A 81 10.703 3.998 7.255 1.00 0.36 H new ATOM 0 HB THR A 81 10.319 6.966 7.595 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.214 6.263 9.657 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.895 6.611 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.504 6.164 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.125 4.897 7.454 1.00 0.00 H new ATOM 1301 N LEU A 82 10.460 4.691 4.758 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.634 4.872 3.305 1.00 0.36 C ATOM 1303 C LEU A 82 9.392 5.464 2.628 1.00 0.57 C ATOM 1304 O LEU A 82 9.507 6.128 1.596 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.999 3.536 2.630 1.00 0.00 C ATOM 1306 CG LEU A 82 12.226 2.807 3.214 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.574 1.603 2.347 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.479 3.681 3.258 1.00 0.00 C ATOM 0 H LEU A 82 9.713 4.039 4.997 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.449 5.584 3.180 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.139 2.870 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.179 3.722 1.571 1.00 0.00 H new ATOM 0 HG LEU A 82 11.947 2.526 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.442 1.092 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.727 0.917 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.802 1.937 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.306 3.110 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.735 4.000 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.290 4.557 3.879 1.00 0.00 H new ATOM 1320 N ALA A 83 8.205 5.231 3.195 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.935 5.736 2.706 1.00 0.36 C ATOM 1322 C ALA A 83 5.924 5.642 3.855 1.00 0.57 C ATOM 1323 O ALA A 83 6.138 4.865 4.788 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.508 4.912 1.485 1.00 0.00 C ATOM 0 H ALA A 83 8.107 4.664 4.037 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.004 6.776 2.387 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.554 5.284 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.264 5.000 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.402 3.866 1.771 1.00 0.00 H new ATOM 1330 N HIS A 84 4.843 6.420 3.809 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.742 6.290 4.756 1.00 0.36 C ATOM 1332 C HIS A 84 2.412 6.448 4.024 1.00 0.57 C ATOM 1333 O HIS A 84 2.337 7.087 2.971 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.895 7.282 5.929 1.00 0.17 C ATOM 1335 CG HIS A 84 3.934 8.759 5.586 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.796 9.685 6.134 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.068 9.465 4.789 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.475 10.900 5.653 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.429 10.811 4.817 1.00 -0.70 N ATOM 0 H HIS A 84 4.708 7.156 3.115 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.762 5.293 5.197 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.069 7.117 6.621 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.812 7.035 6.463 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.549 9.483 6.792 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 2.243 9.047 4.232 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.987 11.817 5.904 1.00 0.65 H new ATOM 1348 N ALA A 85 1.343 5.940 4.640 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.011 5.990 4.122 1.00 0.36 C ATOM 1350 C ALA A 85 -0.975 6.237 5.273 1.00 0.57 C ATOM 1351 O ALA A 85 -0.636 6.014 6.439 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.337 4.668 3.420 1.00 0.00 C ATOM 0 H ALA A 85 1.406 5.469 5.542 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.107 6.800 3.399 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.354 4.704 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.361 4.511 2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.250 3.847 4.132 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.189 6.678 4.933 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.221 7.011 5.905 1.00 0.36 C ATOM 1360 C PHE A 86 -4.404 6.054 5.742 1.00 0.57 C ATOM 1361 O PHE A 86 -4.718 5.631 4.630 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.639 8.477 5.708 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.490 9.469 5.558 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.457 9.544 6.514 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.425 10.287 4.417 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.382 10.432 6.324 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.360 11.183 4.229 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.336 11.254 5.184 1.00 -0.15 C ATOM 0 H PHE A 86 -2.481 6.813 3.965 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.842 6.899 6.921 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.271 8.541 4.822 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.250 8.780 6.558 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.491 8.919 7.394 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.206 10.226 3.673 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.410 10.482 7.056 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.330 11.814 3.353 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.487 11.939 5.044 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.080 5.726 6.846 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.279 4.889 6.847 1.00 0.36 C ATOM 1380 C ALA A 87 -7.430 5.570 6.079 1.00 0.57 C ATOM 1381 O ALA A 87 -7.416 6.794 5.958 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.665 4.630 8.309 1.00 0.00 C ATOM 0 H ALA A 87 -4.805 6.040 7.777 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.080 3.945 6.340 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.558 4.007 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.846 4.120 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.865 5.579 8.806 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.439 4.832 5.579 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.552 5.417 4.838 1.00 0.36 C ATOM 1390 C PRO A 88 -10.456 6.278 5.733 1.00 0.57 C ATOM 1391 O PRO A 88 -10.537 6.061 6.944 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.314 4.241 4.227 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.900 3.013 5.020 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.583 3.392 5.692 1.00 0.30 C ATOM 0 HA PRO A 88 -9.190 6.097 4.067 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.391 4.400 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.069 4.124 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.657 2.749 5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.774 2.148 4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.584 3.087 6.738 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.747 2.883 5.212 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.166 7.237 5.118 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.168 8.074 5.777 1.00 0.36 C ATOM 1404 C GLY A 89 -12.181 9.483 5.179 1.00 0.57 C ATOM 1405 O GLY A 89 -12.553 9.653 4.015 1.00 -0.57 O ATOM 0 H GLY A 89 -11.053 7.453 4.127 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.153 7.620 5.671 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.956 8.130 6.845 1.00 0.36 H new ATOM 1409 N THR A 90 -11.745 10.467 5.982 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.527 11.871 5.615 1.00 0.36 C ATOM 1411 C THR A 90 -10.771 11.995 4.285 1.00 0.57 C ATOM 1412 O THR A 90 -10.014 11.100 3.929 1.00 -0.57 O ATOM 1413 CB THR A 90 -10.726 12.536 6.757 1.00 0.28 C ATOM 1414 OG1 THR A 90 -11.384 12.349 7.997 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -10.514 14.042 6.582 1.00 0.00 C ATOM 0 H THR A 90 -11.523 10.291 6.962 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.488 12.367 5.478 1.00 0.36 H new ATOM 0 HB THR A 90 -9.751 12.049 6.731 1.00 0.28 H new ATOM 0 HG1 THR A 90 -10.864 12.774 8.711 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.944 14.430 7.426 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.966 14.227 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.481 14.543 6.537 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.909 13.131 3.584 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.257 13.396 2.301 1.00 0.36 C ATOM 1425 C GLY A 91 -8.772 13.013 2.225 1.00 0.57 C ATOM 1426 O GLY A 91 -8.373 12.431 1.217 1.00 -0.57 O ATOM 0 H GLY A 91 -11.491 13.905 3.904 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.794 12.856 1.521 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.353 14.458 2.077 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.971 13.290 3.270 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.561 12.877 3.389 1.00 0.36 C ATOM 1432 C LEU A 92 -6.412 11.354 3.558 1.00 0.57 C ATOM 1433 O LEU A 92 -5.454 10.757 3.078 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.930 13.601 4.597 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.439 13.247 4.859 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.491 14.393 4.494 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.229 12.835 6.323 1.00 0.00 C ATOM 0 H LEU A 92 -8.296 13.822 4.077 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.049 13.150 2.466 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.012 14.677 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.508 13.362 5.489 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.197 12.406 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.463 14.093 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.598 14.631 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.736 15.272 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.179 12.591 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.516 13.658 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.843 11.963 6.547 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.358 10.700 4.230 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.354 9.260 4.422 1.00 0.36 C ATOM 1451 C GLY A 93 -7.172 8.519 3.098 1.00 0.57 C ATOM 1452 O GLY A 93 -7.626 8.992 2.054 1.00 -0.57 O ATOM 0 H GLY A 93 -8.157 11.166 4.660 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.552 8.985 5.107 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.290 8.951 4.887 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.474 7.382 3.137 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.125 6.579 1.976 1.00 0.36 C ATOM 1458 C GLY A 94 -4.944 7.111 1.174 1.00 0.57 C ATOM 1459 O GLY A 94 -4.355 6.327 0.428 1.00 -0.57 O ATOM 0 H GLY A 94 -6.127 6.986 4.011 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -5.897 5.565 2.306 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.993 6.513 1.321 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.574 8.391 1.320 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.468 8.990 0.577 1.00 0.36 C ATOM 1465 C ASP A 95 -2.159 8.478 1.181 1.00 0.57 C ATOM 1466 O ASP A 95 -2.112 8.041 2.338 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.559 10.542 0.574 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.891 11.031 -0.020 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.360 10.413 -0.961 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.570 12.051 0.498 1.00 -0.65 O ATOM 0 H ASP A 95 -5.037 9.037 1.959 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.515 8.695 -0.471 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.456 10.915 1.593 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.730 10.954 -0.002 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.099 8.504 0.374 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.180 7.927 0.729 1.00 0.36 C ATOM 1478 C ALA A 96 1.300 8.710 0.066 1.00 0.57 C ATOM 1479 O ALA A 96 1.163 9.193 -1.063 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.214 6.452 0.312 1.00 0.00 C ATOM 0 H ALA A 96 -1.113 8.932 -0.552 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.321 7.981 1.809 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.178 6.020 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.581 5.911 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.069 6.375 -0.766 1.00 0.00 H new ATOM 1486 N HIS A 97 2.429 8.804 0.764 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.598 9.524 0.300 1.00 0.36 C ATOM 1488 C HIS A 97 4.805 8.622 0.436 1.00 0.57 C ATOM 1489 O HIS A 97 4.841 7.751 1.302 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.782 10.852 1.043 1.00 0.17 C ATOM 1491 CG HIS A 97 2.645 11.821 0.835 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.093 12.613 1.820 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.954 12.034 -0.327 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.064 13.281 1.258 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.958 12.942 -0.043 1.00 -0.70 N ATOM 0 H HIS A 97 2.553 8.374 1.680 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.468 9.790 -0.749 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.887 10.651 2.109 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.711 11.318 0.713 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.152 11.577 -1.285 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.422 13.981 1.772 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.263 13.296 -0.701 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.795 8.855 -0.418 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.957 8.008 -0.600 1.00 0.36 C ATOM 1506 C PHE A 98 8.167 8.918 -0.723 1.00 0.57 C ATOM 1507 O PHE A 98 8.064 10.013 -1.289 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.792 7.200 -1.895 1.00 0.14 C ATOM 1509 CG PHE A 98 5.712 6.132 -1.889 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.349 6.490 -1.936 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.066 4.771 -1.855 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.353 5.504 -1.869 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.066 3.782 -1.828 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.709 4.150 -1.829 1.00 -0.15 C ATOM 0 H PHE A 98 5.806 9.674 -1.025 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.075 7.320 0.237 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.581 7.895 -2.708 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.745 6.722 -2.124 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.070 7.530 -2.024 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.107 4.485 -1.850 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.312 5.789 -1.848 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.341 2.738 -1.806 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.942 3.390 -1.799 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.304 8.465 -0.205 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.528 9.233 -0.273 1.00 0.36 C ATOM 1526 C ASP A 99 11.251 8.933 -1.591 1.00 0.57 C ATOM 1527 O ASP A 99 11.901 7.901 -1.745 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.386 8.966 0.964 1.00 0.06 C ATOM 1529 CG ASP A 99 12.244 10.190 1.273 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.366 10.496 2.448 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.753 10.868 0.248 1.00 -0.65 O ATOM 0 H ASP A 99 9.396 7.565 0.267 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.307 10.300 -0.269 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.748 8.733 1.817 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.023 8.097 0.796 1.00 0.06 H new ATOM 1537 N GLU A 100 11.093 9.801 -2.592 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.731 9.696 -3.904 1.00 0.36 C ATOM 1539 C GLU A 100 13.260 9.727 -3.799 1.00 0.57 C ATOM 1540 O GLU A 100 13.943 9.229 -4.695 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.270 10.871 -4.777 1.00 0.00 C ATOM 1542 CG GLU A 100 11.577 10.703 -6.272 1.00 0.06 C ATOM 1543 CD GLU A 100 11.212 11.985 -7.023 1.00 0.66 C ATOM 1544 OE1 GLU A 100 10.047 12.345 -6.972 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.204 12.657 -7.601 1.00 -0.65 O ATOM 0 H GLU A 100 10.497 10.624 -2.508 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.441 8.742 -4.345 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.195 11.003 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.747 11.784 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.634 10.477 -6.412 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.014 9.861 -6.676 1.00 0.06 H new ATOM 1553 N ASP A 101 13.799 10.341 -2.739 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.241 10.432 -2.539 1.00 0.36 C ATOM 1555 C ASP A 101 15.826 9.051 -2.239 1.00 0.57 C ATOM 1556 O ASP A 101 16.893 8.692 -2.742 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.541 11.398 -1.385 1.00 0.06 C ATOM 1558 CG ASP A 101 17.024 11.772 -1.278 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.771 11.549 -2.216 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.411 12.367 -0.153 1.00 -0.65 O ATOM 0 H ASP A 101 13.248 10.784 -2.004 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.703 10.810 -3.451 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.953 12.306 -1.518 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.219 10.944 -0.448 1.00 0.06 H new ATOM 1566 N GLU A 102 15.099 8.247 -1.457 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.467 6.864 -1.194 1.00 0.36 C ATOM 1568 C GLU A 102 15.345 6.113 -2.525 1.00 0.57 C ATOM 1569 O GLU A 102 14.320 6.202 -3.196 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.583 6.272 -0.076 1.00 0.00 C ATOM 1571 CG GLU A 102 14.748 7.013 1.270 1.00 0.06 C ATOM 1572 CD GLU A 102 15.417 6.219 2.398 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.966 6.389 3.519 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 16.476 5.466 2.112 1.00 -0.65 O ATOM 0 H GLU A 102 14.241 8.542 -0.992 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.490 6.777 -0.827 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.538 6.314 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.833 5.220 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.330 7.918 1.095 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.762 7.329 1.611 1.00 0.06 H new ATOM 1582 N ARG A 103 16.404 5.412 -2.948 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.416 4.667 -4.212 1.00 0.36 C ATOM 1584 C ARG A 103 15.292 3.623 -4.201 1.00 0.57 C ATOM 1585 O ARG A 103 15.032 3.039 -3.152 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.785 3.994 -4.413 1.00 0.00 C ATOM 1587 CG ARG A 103 18.934 5.010 -4.543 1.00 0.00 C ATOM 1588 CD ARG A 103 20.273 4.295 -4.792 1.00 0.33 C ATOM 1589 NE ARG A 103 21.453 5.147 -4.524 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.863 6.235 -5.206 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.229 6.645 -6.310 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.937 6.905 -4.770 1.00 -0.97 N ATOM 0 H ARG A 103 17.276 5.346 -2.424 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.249 5.353 -5.042 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.986 3.330 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.752 3.373 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.726 5.697 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 103 19.000 5.609 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.325 3.407 -4.162 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.308 3.954 -5.827 1.00 0.33 H new ATOM 0 HE ARG A 103 22.027 4.878 -3.725 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.417 6.131 -6.652 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 21.557 7.471 -6.810 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 23.430 6.590 -3.935 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 23.262 7.731 -5.273 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.690 3.321 -5.356 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.590 2.353 -5.479 1.00 0.36 C ATOM 1608 C TRP A 104 13.995 1.290 -6.506 1.00 0.57 C ATOM 1609 O TRP A 104 14.846 1.558 -7.351 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.276 3.066 -5.873 1.00 0.18 C ATOM 1611 CG TRP A 104 11.722 4.029 -4.857 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 12.003 5.349 -4.806 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.907 3.762 -3.666 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.481 5.901 -3.654 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.824 4.964 -2.898 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.293 2.620 -3.104 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.240 5.019 -1.625 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.687 2.667 -1.830 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.678 3.857 -1.083 1.00 -0.15 C ATOM 0 H TRP A 104 14.955 3.746 -6.244 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.405 1.868 -4.521 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.444 3.607 -6.804 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.520 2.307 -6.076 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.556 5.893 -5.557 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.572 6.884 -3.397 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.287 1.694 -3.660 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.224 5.945 -1.070 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.225 1.779 -1.425 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.240 3.875 -0.096 1.00 -0.15 H new ATOM 1630 N THR A 105 13.384 0.097 -6.471 1.00 -0.73 N ATOM 1631 CA THR A 105 13.619 -0.930 -7.490 1.00 0.36 C ATOM 1632 C THR A 105 12.278 -1.513 -7.955 1.00 0.57 C ATOM 1633 O THR A 105 11.349 -1.678 -7.161 1.00 -0.57 O ATOM 1634 CB THR A 105 14.642 -1.975 -7.007 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.946 -2.879 -8.042 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.206 -2.806 -5.804 1.00 0.00 C ATOM 0 H THR A 105 12.722 -0.179 -5.745 1.00 -0.73 H new ATOM 0 HA THR A 105 14.081 -0.484 -8.371 1.00 0.36 H new ATOM 0 HB THR A 105 15.502 -1.379 -6.702 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.784 -3.343 -7.836 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.995 -3.511 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.014 -2.147 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.297 -3.354 -6.051 1.00 0.00 H new ATOM 1644 N ASP A 106 12.181 -1.804 -9.257 1.00 -0.73 N ATOM 1645 CA ASP A 106 11.042 -2.478 -9.886 1.00 0.36 C ATOM 1646 C ASP A 106 10.968 -3.919 -9.383 1.00 0.57 C ATOM 1647 O ASP A 106 9.914 -4.400 -8.966 1.00 -0.57 O ATOM 1648 CB ASP A 106 11.254 -2.454 -11.415 1.00 0.06 C ATOM 1649 CG ASP A 106 10.322 -3.372 -12.221 1.00 0.66 C ATOM 1650 OD1 ASP A 106 10.671 -4.526 -12.408 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 9.231 -2.822 -12.745 1.00 -0.65 O ATOM 0 H ASP A 106 12.917 -1.569 -9.922 1.00 -0.73 H new ATOM 0 HA ASP A 106 10.108 -1.974 -9.636 1.00 0.36 H new ATOM 0 HB2 ASP A 106 11.123 -1.431 -11.767 1.00 0.06 H new ATOM 0 HB3 ASP A 106 12.286 -2.735 -11.627 1.00 0.06 H new ATOM 1657 N GLY A 107 12.126 -4.585 -9.389 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.243 -6.012 -9.167 1.00 0.36 C ATOM 1659 C GLY A 107 13.664 -6.487 -9.433 1.00 0.57 C ATOM 1660 O GLY A 107 13.850 -7.414 -10.219 1.00 -0.57 O ATOM 0 H GLY A 107 13.023 -4.128 -9.553 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.962 -6.249 -8.141 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.549 -6.544 -9.818 1.00 0.36 H new ATOM 1664 N SER A 108 14.660 -5.822 -8.834 1.00 -0.73 N ATOM 1665 CA SER A 108 16.067 -6.198 -8.933 1.00 0.36 C ATOM 1666 C SER A 108 16.821 -5.724 -7.687 1.00 0.57 C ATOM 1667 O SER A 108 16.443 -4.705 -7.108 1.00 -0.57 O ATOM 1668 CB SER A 108 16.670 -5.561 -10.190 1.00 0.28 C ATOM 1669 OG SER A 108 17.924 -6.149 -10.474 1.00 -0.68 O ATOM 0 H SER A 108 14.503 -4.995 -8.259 1.00 -0.73 H new ATOM 0 HA SER A 108 16.153 -7.282 -9.001 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.996 -5.696 -11.036 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.787 -4.487 -10.044 1.00 0.28 H new ATOM 0 HG SER A 108 18.303 -5.739 -11.279 1.00 -0.68 H new ATOM 1675 N SER A 109 17.885 -6.437 -7.288 1.00 -0.73 N ATOM 1676 CA SER A 109 18.691 -6.101 -6.115 1.00 0.36 C ATOM 1677 C SER A 109 19.301 -4.703 -6.286 1.00 0.57 C ATOM 1678 O SER A 109 20.199 -4.515 -7.112 1.00 -0.57 O ATOM 1679 CB SER A 109 19.761 -7.181 -5.849 1.00 0.28 C ATOM 1680 OG SER A 109 19.542 -7.734 -4.561 1.00 -0.68 O ATOM 0 H SER A 109 18.209 -7.270 -7.779 1.00 -0.73 H new ATOM 0 HA SER A 109 18.050 -6.079 -5.234 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.707 -7.961 -6.609 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.759 -6.746 -5.908 1.00 0.28 H new ATOM 0 HG SER A 109 20.216 -8.423 -4.382 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.791 -3.729 -5.518 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.300 -2.360 -5.500 1.00 0.36 C ATOM 1688 C LEU A 110 18.833 -1.639 -4.234 1.00 0.57 C ATOM 1689 O LEU A 110 19.668 -1.287 -3.407 1.00 -0.57 O ATOM 1690 CB LEU A 110 18.864 -1.610 -6.784 1.00 0.00 C ATOM 1691 CG LEU A 110 19.988 -0.718 -7.358 1.00 0.00 C ATOM 1692 CD1 LEU A 110 20.131 -0.961 -8.865 1.00 0.00 C ATOM 1693 CD2 LEU A 110 19.736 0.771 -7.082 1.00 0.00 C ATOM 0 H LEU A 110 18.004 -3.877 -4.886 1.00 -0.73 H new ATOM 0 HA LEU A 110 20.390 -2.381 -5.484 1.00 0.36 H new ATOM 0 HB2 LEU A 110 18.559 -2.335 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 110 17.993 -0.994 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 110 20.916 -0.990 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.925 -0.329 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.378 -2.008 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.192 -0.720 -9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.550 1.362 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.794 1.072 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.685 0.938 -6.006 1.00 0.00 H new ATOM 1705 N GLY A 111 17.513 -1.487 -4.060 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.902 -0.754 -2.956 1.00 0.36 C ATOM 1707 C GLY A 111 15.739 -1.560 -2.384 1.00 0.57 C ATOM 1708 O GLY A 111 15.955 -2.624 -1.803 1.00 -0.57 O ATOM 0 H GLY A 111 16.828 -1.883 -4.703 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.642 -0.564 -2.179 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.548 0.217 -3.303 1.00 0.36 H new ATOM 1712 N ILE A 112 14.506 -1.071 -2.569 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.298 -1.709 -2.057 1.00 0.36 C ATOM 1714 C ILE A 112 12.262 -1.846 -3.167 1.00 0.57 C ATOM 1715 O ILE A 112 12.065 -0.930 -3.971 1.00 -0.57 O ATOM 1716 CB ILE A 112 12.740 -1.004 -0.801 1.00 0.00 C ATOM 1717 CG1 ILE A 112 12.098 0.383 -1.027 1.00 0.00 C ATOM 1718 CG2 ILE A 112 13.824 -0.969 0.287 1.00 0.00 C ATOM 1719 CD1 ILE A 112 13.052 1.514 -1.431 1.00 0.00 C ATOM 0 H ILE A 112 14.323 -0.211 -3.085 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.564 -2.713 -1.725 1.00 0.36 H new ATOM 0 HB ILE A 112 11.893 -1.607 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.336 0.286 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.587 0.677 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.433 -0.472 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 112 14.117 -1.988 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 112 14.692 -0.423 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.487 2.437 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.801 1.654 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.546 1.256 -2.368 1.00 0.00 H new ATOM 1731 N ASN A 113 11.668 -3.043 -3.235 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.751 -3.420 -4.293 1.00 0.36 C ATOM 1733 C ASN A 113 9.493 -2.545 -4.223 1.00 0.57 C ATOM 1734 O ASN A 113 8.747 -2.595 -3.241 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.441 -4.922 -4.199 1.00 0.06 C ATOM 1736 CG ASN A 113 9.551 -5.317 -5.361 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.373 -5.002 -5.351 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 10.105 -5.916 -6.403 1.00 -0.80 N ATOM 0 H ASN A 113 11.819 -3.779 -2.545 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.205 -3.248 -5.269 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.365 -5.499 -4.220 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.947 -5.146 -3.254 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.544 -6.127 -7.228 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 11.093 -6.167 -6.381 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.264 -1.734 -5.262 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.136 -0.812 -5.312 1.00 0.36 C ATOM 1747 C PHE A 114 6.806 -1.572 -5.259 1.00 0.57 C ATOM 1748 O PHE A 114 5.873 -1.098 -4.614 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.241 0.069 -6.569 1.00 0.14 C ATOM 1750 CG PHE A 114 7.270 1.242 -6.629 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.869 1.051 -6.653 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.780 2.552 -6.652 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.002 2.149 -6.549 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.909 3.649 -6.612 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.524 3.445 -6.501 1.00 -0.15 C ATOM 0 H PHE A 114 9.859 -1.702 -6.090 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.166 -0.162 -4.437 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.257 0.457 -6.636 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.081 -0.558 -7.446 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.464 0.055 -6.752 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.847 2.713 -6.701 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.934 1.993 -6.506 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.303 4.653 -6.667 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.862 4.289 -6.379 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.699 -2.744 -5.898 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.468 -3.531 -5.898 1.00 0.36 C ATOM 1767 C LEU A 115 5.076 -3.873 -4.461 1.00 0.57 C ATOM 1768 O LEU A 115 3.919 -3.704 -4.075 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.662 -4.823 -6.718 1.00 0.00 C ATOM 1770 CG LEU A 115 4.349 -5.484 -7.151 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.745 -4.713 -8.319 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.600 -6.931 -7.597 1.00 0.00 C ATOM 0 H LEU A 115 7.462 -3.168 -6.426 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.671 -2.945 -6.356 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.252 -4.594 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.238 -5.534 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 115 3.665 -5.478 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.812 -5.186 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.548 -3.685 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.443 -4.715 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.658 -7.387 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.294 -6.938 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.026 -7.498 -6.770 1.00 0.00 H new ATOM 1784 N TYR A 116 6.056 -4.308 -3.666 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.871 -4.598 -2.254 1.00 0.36 C ATOM 1786 C TYR A 116 5.503 -3.328 -1.482 1.00 0.57 C ATOM 1787 O TYR A 116 4.584 -3.364 -0.662 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.153 -5.247 -1.716 1.00 0.14 C ATOM 1789 CG TYR A 116 7.070 -5.794 -0.305 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.092 -6.745 0.027 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 8.019 -5.412 0.660 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.100 -7.357 1.288 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.998 -5.974 1.949 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.041 -6.965 2.263 1.00 0.08 C ATOM 1795 OH TYR A 116 7.022 -7.558 3.485 1.00 -0.53 O ATOM 0 H TYR A 116 7.008 -4.469 -3.994 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.042 -5.293 -2.120 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.435 -6.060 -2.385 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.955 -4.510 -1.754 1.00 0.14 H new ATOM 0 HD1 TYR A 116 5.330 -7.006 -0.692 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.772 -4.679 0.409 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.383 -8.132 1.514 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.709 -5.650 2.694 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.096 -7.638 3.795 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.171 -2.203 -1.777 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.891 -0.917 -1.144 1.00 0.36 C ATOM 1807 C ALA A 117 4.437 -0.514 -1.372 1.00 0.57 C ATOM 1808 O ALA A 117 3.716 -0.236 -0.415 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.843 0.162 -1.685 1.00 0.00 C ATOM 0 H ALA A 117 6.923 -2.165 -2.465 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.054 -1.015 -0.071 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.623 1.115 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.874 -0.122 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.708 0.259 -2.762 1.00 0.00 H new ATOM 1815 N ALA A 118 3.997 -0.532 -2.633 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.640 -0.186 -2.997 1.00 0.36 C ATOM 1817 C ALA A 118 1.660 -1.151 -2.339 1.00 0.57 C ATOM 1818 O ALA A 118 0.780 -0.684 -1.635 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.487 -0.181 -4.517 1.00 0.00 C ATOM 0 H ALA A 118 4.583 -0.790 -3.427 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.415 0.818 -2.637 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.462 0.081 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.170 0.551 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.720 -1.171 -4.909 1.00 0.00 H new ATOM 1825 N THR A 119 1.834 -2.472 -2.487 1.00 -0.73 N ATOM 1826 CA THR A 119 0.947 -3.457 -1.867 1.00 0.36 C ATOM 1827 C THR A 119 0.823 -3.228 -0.360 1.00 0.57 C ATOM 1828 O THR A 119 -0.291 -3.303 0.161 1.00 -0.57 O ATOM 1829 CB THR A 119 1.465 -4.866 -2.195 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.307 -5.080 -3.576 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.728 -6.009 -1.495 1.00 0.00 C ATOM 0 H THR A 119 2.589 -2.882 -3.037 1.00 -0.73 H new ATOM 0 HA THR A 119 -0.059 -3.347 -2.273 1.00 0.36 H new ATOM 0 HB THR A 119 2.499 -4.885 -1.850 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.075 -4.704 -4.055 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.168 -6.961 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.814 -5.890 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.324 -5.991 -1.779 1.00 0.00 H new ATOM 1839 N HIS A 120 1.931 -2.920 0.325 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.917 -2.598 1.744 1.00 0.36 C ATOM 1841 C HIS A 120 1.061 -1.346 1.991 1.00 0.57 C ATOM 1842 O HIS A 120 0.133 -1.380 2.797 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.375 -2.452 2.227 1.00 0.17 C ATOM 1844 CG HIS A 120 3.537 -2.253 3.711 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.423 -2.919 4.544 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.858 -1.354 4.482 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.258 -2.420 5.787 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.294 -1.490 5.770 1.00 -0.70 N ATOM 0 H HIS A 120 2.860 -2.889 -0.096 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.456 -3.396 2.326 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.930 -3.342 1.932 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.830 -1.607 1.710 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.078 -3.651 4.268 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.108 -0.658 4.135 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.817 -2.723 6.660 1.00 0.65 H new ATOM 1857 N GLU A 121 1.383 -0.232 1.329 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.766 1.071 1.582 1.00 0.36 C ATOM 1859 C GLU A 121 -0.721 1.054 1.214 1.00 0.57 C ATOM 1860 O GLU A 121 -1.569 1.435 2.019 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.520 2.127 0.760 1.00 0.00 C ATOM 1862 CG GLU A 121 2.969 2.307 1.242 1.00 0.06 C ATOM 1863 CD GLU A 121 3.057 3.258 2.418 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.685 2.843 3.503 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.555 4.469 2.183 1.00 -0.65 O ATOM 0 H GLU A 121 2.089 -0.210 0.593 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.831 1.310 2.643 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.521 1.836 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.995 3.080 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.380 1.338 1.526 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.580 2.685 0.422 1.00 0.06 H new ATOM 1873 N LEU A 122 -1.035 0.539 0.022 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.387 0.399 -0.506 1.00 0.36 C ATOM 1875 C LEU A 122 -3.225 -0.522 0.376 1.00 0.57 C ATOM 1876 O LEU A 122 -4.432 -0.309 0.493 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.335 -0.169 -1.933 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.065 0.852 -3.060 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.951 1.887 -2.841 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -1.742 0.069 -4.337 1.00 0.00 C ATOM 0 H LEU A 122 -0.324 0.196 -0.624 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.850 1.386 -0.519 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.560 -0.934 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.283 -0.666 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.976 1.449 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.879 2.534 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.181 2.489 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.002 1.373 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.546 0.766 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.861 -0.551 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.588 -0.566 -4.598 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.596 -1.507 1.029 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.255 -2.308 2.042 1.00 0.36 C ATOM 1894 C GLY A 123 -3.859 -1.425 3.125 1.00 0.57 C ATOM 1895 O GLY A 123 -5.037 -1.583 3.463 1.00 -0.57 O ATOM 0 H GLY A 123 -1.622 -1.762 0.864 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.037 -2.912 1.582 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.539 -2.999 2.488 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.088 -0.451 3.621 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.617 0.487 4.593 1.00 0.36 C ATOM 1901 C HIS A 124 -4.696 1.368 3.991 1.00 0.57 C ATOM 1902 O HIS A 124 -5.717 1.585 4.645 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.526 1.333 5.253 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.503 0.492 5.959 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.758 -0.369 6.995 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.172 0.401 5.674 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.604 -0.974 7.321 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.400 -0.532 6.548 1.00 -0.70 N ATOM 0 H HIS A 124 -2.112 -0.300 3.365 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.071 -0.116 5.380 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.033 1.941 4.495 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.983 2.020 5.965 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.663 -0.523 7.439 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.350 0.953 4.907 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.498 -1.715 8.099 1.00 0.65 H new ATOM 1917 N SER A 125 -4.520 1.806 2.741 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.535 2.588 2.056 1.00 0.36 C ATOM 1919 C SER A 125 -6.882 1.855 1.967 1.00 0.57 C ATOM 1920 O SER A 125 -7.920 2.496 2.116 1.00 -0.57 O ATOM 1921 CB SER A 125 -5.067 3.003 0.661 1.00 0.28 C ATOM 1922 OG SER A 125 -3.740 3.480 0.631 1.00 -0.68 O ATOM 0 H SER A 125 -3.681 1.628 2.189 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.689 3.484 2.657 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.153 2.149 -0.011 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.732 3.778 0.279 1.00 0.28 H new ATOM 0 HG SER A 125 -3.745 4.456 0.544 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.906 0.528 1.762 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.152 -0.254 1.793 1.00 0.36 C ATOM 1930 C LEU A 126 -8.802 -0.274 3.182 1.00 0.57 C ATOM 1931 O LEU A 126 -10.018 -0.459 3.291 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.917 -1.718 1.351 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.128 -2.057 -0.137 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.424 -1.459 -0.703 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -6.939 -1.652 -1.007 1.00 0.00 C ATOM 0 H LEU A 126 -6.072 -0.028 1.572 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.823 0.245 1.094 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.895 -1.989 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.578 -2.356 1.938 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.216 -3.143 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.521 -1.730 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.277 -1.849 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.395 -0.373 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.142 -1.914 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.780 -0.576 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.045 -2.176 -0.668 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.000 -0.126 4.241 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.469 -0.184 5.614 1.00 0.36 C ATOM 1949 C GLY A 127 -7.502 -0.857 6.578 1.00 0.57 C ATOM 1950 O GLY A 127 -7.716 -0.763 7.787 1.00 -0.57 O ATOM 0 H GLY A 127 -6.997 0.039 4.160 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.664 0.830 5.962 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.419 -0.718 5.639 1.00 0.36 H new ATOM 1954 N MET A 128 -6.481 -1.572 6.086 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.567 -2.298 6.958 1.00 0.36 C ATOM 1956 C MET A 128 -4.833 -1.326 7.885 1.00 0.57 C ATOM 1957 O MET A 128 -4.551 -0.189 7.518 1.00 -0.57 O ATOM 1958 CB MET A 128 -4.559 -3.114 6.129 1.00 0.00 C ATOM 1959 CG MET A 128 -4.107 -4.384 6.857 1.00 0.23 C ATOM 1960 SD MET A 128 -5.442 -5.523 7.319 1.00 -0.46 S ATOM 1961 CE MET A 128 -6.205 -5.764 5.693 1.00 0.23 C ATOM 0 H MET A 128 -6.273 -1.659 5.091 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.149 -2.990 7.567 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.011 -3.385 5.175 1.00 0.00 H new ATOM 0 HB3 MET A 128 -3.689 -2.496 5.906 1.00 0.00 H new ATOM 0 HG2 MET A 128 -3.400 -4.917 6.221 1.00 0.23 H new ATOM 0 HG3 MET A 128 -3.569 -4.095 7.760 1.00 0.23 H new ATOM 0 HE1 MET A 128 -7.150 -6.295 5.810 1.00 0.23 H new ATOM 0 HE2 MET A 128 -6.388 -4.794 5.230 1.00 0.23 H new ATOM 0 HE3 MET A 128 -5.536 -6.348 5.060 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.417 -1.771 9.066 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.725 -0.898 10.011 1.00 0.36 C ATOM 1973 C GLY A 129 -2.307 -1.337 10.353 1.00 0.57 C ATOM 1974 O GLY A 129 -1.553 -0.445 10.735 1.00 -0.57 O ATOM 0 H GLY A 129 -4.546 -2.729 9.392 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.690 0.110 9.597 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.307 -0.845 10.931 1.00 0.36 H new ATOM 1978 N HIS A 130 -1.976 -2.636 10.199 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.703 -3.349 10.428 1.00 0.36 C ATOM 1980 C HIS A 130 -0.979 -4.804 10.859 1.00 0.57 C ATOM 1981 O HIS A 130 -2.128 -5.151 11.127 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.238 -2.638 11.427 1.00 0.17 C ATOM 1983 CG HIS A 130 1.183 -1.664 10.768 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.277 -0.311 10.996 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 2.092 -1.967 9.796 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.204 0.186 10.162 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.733 -0.793 9.413 1.00 -0.70 N ATOM 0 H HIS A 130 -2.685 -3.291 9.870 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.170 -3.348 9.477 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.362 -2.107 12.166 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.818 -3.388 11.966 1.00 0.17 H new ATOM 0 HD2 HIS A 130 2.281 -2.951 9.393 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.484 1.227 10.102 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.460 -0.696 8.704 1.00 -0.70 H new ATOM 1996 N SER A 131 0.089 -5.612 10.966 1.00 -0.73 N ATOM 1997 CA SER A 131 0.110 -7.008 11.411 1.00 0.36 C ATOM 1998 C SER A 131 1.415 -7.284 12.191 1.00 0.57 C ATOM 1999 O SER A 131 2.162 -6.349 12.496 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.040 -7.922 10.182 1.00 0.28 C ATOM 2001 OG SER A 131 -1.412 -8.147 9.945 1.00 -0.68 O ATOM 0 H SER A 131 1.023 -5.280 10.726 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.720 -7.212 12.088 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.422 -7.460 9.310 1.00 0.28 H new ATOM 0 HB3 SER A 131 0.474 -8.868 10.351 1.00 0.28 H new ATOM 0 HG SER A 131 -1.925 -7.360 10.224 1.00 -0.68 H new ATOM 2007 N SER A 132 1.679 -8.551 12.550 1.00 -0.73 N ATOM 2008 CA SER A 132 2.834 -8.987 13.336 1.00 0.36 C ATOM 2009 C SER A 132 3.289 -10.400 12.904 1.00 0.57 C ATOM 2010 O SER A 132 3.182 -11.354 13.668 1.00 -0.57 O ATOM 2011 CB SER A 132 2.503 -8.892 14.838 1.00 0.28 C ATOM 2012 OG SER A 132 1.260 -9.492 15.156 1.00 -0.68 O ATOM 0 H SER A 132 1.068 -9.325 12.289 1.00 -0.73 H new ATOM 0 HA SER A 132 3.680 -8.326 13.147 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.294 -9.374 15.413 1.00 0.28 H new ATOM 0 HB3 SER A 132 2.485 -7.844 15.138 1.00 0.28 H new ATOM 0 HG SER A 132 1.093 -9.409 16.118 1.00 -0.68 H new ATOM 2018 N ASP A 133 3.811 -10.546 11.677 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.278 -11.823 11.103 1.00 0.36 C ATOM 2020 C ASP A 133 5.652 -11.570 10.463 1.00 0.57 C ATOM 2021 O ASP A 133 5.862 -10.450 10.003 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.282 -12.310 10.030 1.00 0.06 C ATOM 2023 CG ASP A 133 3.294 -13.817 9.806 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.278 -14.569 10.766 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.415 -14.261 8.558 1.00 -0.65 O ATOM 0 H ASP A 133 3.924 -9.760 11.037 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.351 -12.587 11.877 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.276 -12.005 10.318 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.508 -11.812 9.087 1.00 0.06 H new ATOM 2031 N PRO A 134 6.590 -12.538 10.391 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.937 -12.273 9.891 1.00 0.36 C ATOM 2033 C PRO A 134 7.908 -11.879 8.411 1.00 0.57 C ATOM 2034 O PRO A 134 8.645 -10.993 7.991 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.742 -13.554 10.132 1.00 0.00 C ATOM 2036 CG PRO A 134 7.709 -14.665 10.314 1.00 0.00 C ATOM 2037 CD PRO A 134 6.401 -13.954 10.645 1.00 0.30 C ATOM 0 HA PRO A 134 8.397 -11.431 10.408 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.401 -13.766 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.374 -13.459 11.015 1.00 0.00 H new ATOM 0 HG2 PRO A 134 7.612 -15.263 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.000 -15.344 11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 134 5.588 -14.346 10.035 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.128 -14.122 11.687 1.00 0.30 H new ATOM 2045 N ASN A 135 7.005 -12.484 7.636 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.857 -12.261 6.201 1.00 0.36 C ATOM 2047 C ASN A 135 5.448 -11.712 5.939 1.00 0.57 C ATOM 2048 O ASN A 135 4.819 -12.077 4.940 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.149 -13.560 5.415 1.00 0.06 C ATOM 2050 CG ASN A 135 8.608 -14.021 5.454 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.249 -14.052 6.497 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 9.165 -14.421 4.316 1.00 -0.80 N ATOM 0 H ASN A 135 6.338 -13.162 8.003 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.582 -11.527 5.850 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.520 -14.357 5.812 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.857 -13.412 4.375 1.00 0.06 H new ATOM 0 HD21 ASN A 135 10.129 -14.755 4.310 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.629 -14.394 3.449 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.928 -10.890 6.867 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.685 -10.168 6.641 1.00 0.36 C ATOM 2061 C ALA A 136 3.899 -9.207 5.480 1.00 0.57 C ATOM 2062 O ALA A 136 4.869 -8.449 5.479 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.230 -9.396 7.891 1.00 0.00 C ATOM 0 H ALA A 136 5.356 -10.716 7.776 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.898 -10.886 6.410 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.299 -8.872 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.072 -10.095 8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.996 -8.673 8.171 1.00 0.00 H new ATOM 2069 N VAL A 137 2.976 -9.197 4.520 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.009 -8.236 3.428 1.00 0.36 C ATOM 2071 C VAL A 137 2.961 -6.790 3.963 1.00 0.57 C ATOM 2072 O VAL A 137 3.589 -5.891 3.399 1.00 -0.57 O ATOM 2073 CB VAL A 137 1.900 -8.584 2.423 1.00 0.00 C ATOM 2074 CG1 VAL A 137 0.505 -8.339 3.000 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.093 -7.852 1.092 1.00 0.00 C ATOM 0 H VAL A 137 2.193 -9.849 4.480 1.00 -0.73 H new ATOM 0 HA VAL A 137 3.954 -8.297 2.888 1.00 0.36 H new ATOM 0 HB VAL A 137 1.980 -9.652 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.247 -8.598 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.365 -8.956 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.402 -7.288 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.289 -8.124 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.076 -6.776 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.051 -8.135 0.657 1.00 0.00 H new ATOM 2085 N MET A 138 2.302 -6.586 5.114 1.00 -0.73 N ATOM 2086 CA MET A 138 2.223 -5.314 5.818 1.00 0.36 C ATOM 2087 C MET A 138 3.127 -5.343 7.066 1.00 0.57 C ATOM 2088 O MET A 138 2.778 -4.759 8.089 1.00 -0.57 O ATOM 2089 CB MET A 138 0.752 -4.930 6.106 1.00 0.00 C ATOM 2090 CG MET A 138 0.086 -4.175 4.945 1.00 0.23 C ATOM 2091 SD MET A 138 -0.346 -5.144 3.484 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.686 -6.177 4.145 1.00 0.23 C ATOM 0 H MET A 138 1.795 -7.333 5.589 1.00 -0.73 H new ATOM 0 HA MET A 138 2.607 -4.516 5.183 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.182 -5.834 6.318 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.713 -4.312 7.003 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.823 -3.706 5.322 1.00 0.23 H new ATOM 0 HG3 MET A 138 0.754 -3.372 4.634 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.927 -6.962 3.429 1.00 0.23 H new ATOM 0 HE2 MET A 138 -1.368 -6.629 5.085 1.00 0.23 H new ATOM 0 HE3 MET A 138 -2.568 -5.561 4.319 1.00 0.23 H new ATOM 2102 N TYR A 139 4.290 -6.015 7.029 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.240 -5.941 8.142 1.00 0.36 C ATOM 2104 C TYR A 139 5.967 -4.588 8.152 1.00 0.57 C ATOM 2105 O TYR A 139 6.482 -4.190 7.101 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.283 -7.071 8.077 1.00 0.14 C ATOM 2107 CG TYR A 139 6.974 -7.322 9.407 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.213 -7.534 10.575 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.379 -7.330 9.490 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 6.841 -7.705 11.821 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.013 -7.505 10.729 1.00 -0.15 C ATOM 2112 CZ TYR A 139 8.253 -7.688 11.903 1.00 0.08 C ATOM 2113 OH TYR A 139 8.885 -7.851 13.101 1.00 -0.53 O ATOM 0 H TYR A 139 4.588 -6.605 6.252 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.661 -6.052 9.059 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.795 -7.989 7.749 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.033 -6.822 7.326 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.135 -7.565 10.512 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 8.971 -7.201 8.596 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 6.248 -7.849 12.712 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.092 -7.500 10.784 1.00 -0.15 H new ATOM 0 HH TYR A 139 9.855 -7.813 12.967 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.040 -3.863 9.288 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.945 -2.726 9.422 1.00 0.36 C ATOM 2125 C PRO A 140 8.409 -3.192 9.510 1.00 0.57 C ATOM 2126 O PRO A 140 8.663 -4.372 9.712 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.490 -1.977 10.679 1.00 0.00 C ATOM 2128 CG PRO A 140 5.782 -3.032 11.528 1.00 0.00 C ATOM 2129 CD PRO A 140 5.348 -4.118 10.544 1.00 0.30 C ATOM 0 HA PRO A 140 6.907 -2.070 8.553 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.338 -1.545 11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.819 -1.155 10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.449 -3.436 12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.924 -2.607 12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.599 -5.107 10.927 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.268 -4.097 10.399 1.00 0.30 H new ATOM 2137 N THR A 141 9.369 -2.262 9.402 1.00 -0.73 N ATOM 2138 CA THR A 141 10.808 -2.559 9.404 1.00 0.36 C ATOM 2139 C THR A 141 11.168 -3.532 8.262 1.00 0.57 C ATOM 2140 O THR A 141 11.430 -4.712 8.481 1.00 -0.57 O ATOM 2141 CB THR A 141 11.275 -3.031 10.799 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.815 -2.165 11.824 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.802 -3.087 10.919 1.00 0.00 C ATOM 0 H THR A 141 9.164 -1.267 9.309 1.00 -0.73 H new ATOM 0 HA THR A 141 11.362 -1.642 9.202 1.00 0.36 H new ATOM 0 HB THR A 141 10.855 -4.030 10.915 1.00 0.28 H new ATOM 0 HG1 THR A 141 11.126 -2.493 12.693 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.076 -3.425 11.918 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.200 -3.782 10.179 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.217 -2.094 10.745 1.00 0.00 H new ATOM 2151 N TYR A 142 11.151 -3.016 7.025 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.479 -3.751 5.804 1.00 0.36 C ATOM 2153 C TYR A 142 12.754 -4.600 5.933 1.00 0.57 C ATOM 2154 O TYR A 142 13.823 -4.067 6.227 1.00 -0.57 O ATOM 2155 CB TYR A 142 11.632 -2.740 4.663 1.00 0.14 C ATOM 2156 CG TYR A 142 12.109 -3.339 3.354 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.179 -3.843 2.429 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.487 -3.395 3.066 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.621 -4.352 1.196 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.937 -3.935 1.849 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.997 -4.375 0.888 1.00 0.08 C ATOM 2162 OH TYR A 142 13.397 -4.759 -0.356 1.00 -0.53 O ATOM 0 H TYR A 142 10.900 -2.044 6.845 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.669 -4.452 5.604 1.00 0.36 H new ATOM 0 HB2 TYR A 142 10.672 -2.251 4.496 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.335 -1.966 4.972 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.125 -3.839 2.666 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.201 -3.021 3.784 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.904 -4.727 0.481 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 14.995 -4.014 1.649 1.00 -0.15 H new ATOM 0 HH TYR A 142 14.375 -4.721 -0.412 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.643 -5.898 5.626 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.771 -6.817 5.542 1.00 0.36 C ATOM 2174 C GLY A 143 13.532 -8.060 6.386 1.00 0.57 C ATOM 2175 O GLY A 143 13.804 -8.037 7.580 1.00 -0.57 O ATOM 0 H GLY A 143 11.747 -6.342 5.426 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 13.932 -7.105 4.503 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.678 -6.315 5.878 1.00 0.36 H new ATOM 2179 N ASN A 144 13.052 -9.149 5.778 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.804 -10.422 6.463 1.00 0.36 C ATOM 2181 C ASN A 144 12.802 -11.585 5.474 1.00 0.57 C ATOM 2182 O ASN A 144 13.471 -12.590 5.704 1.00 -0.57 O ATOM 2183 CB ASN A 144 11.429 -10.397 7.152 1.00 0.06 C ATOM 2184 CG ASN A 144 11.518 -10.088 8.637 1.00 0.57 C ATOM 2185 OD1 ASN A 144 11.198 -8.998 9.082 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 11.955 -11.048 9.441 1.00 -0.80 N ATOM 0 H ASN A 144 12.822 -9.172 4.785 1.00 -0.73 H new ATOM 0 HA ASN A 144 13.601 -10.556 7.195 1.00 0.36 H new ATOM 0 HB2 ASN A 144 10.799 -9.651 6.668 1.00 0.06 H new ATOM 0 HB3 ASN A 144 10.942 -11.363 7.015 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.027 -10.880 10.444 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.219 -11.955 9.056 1.00 -0.80 H new ATOM 2193 N GLY A 145 12.040 -11.434 4.389 1.00 -0.73 N ATOM 2194 CA GLY A 145 11.850 -12.426 3.344 1.00 0.36 C ATOM 2195 C GLY A 145 12.157 -11.805 1.990 1.00 0.57 C ATOM 2196 O GLY A 145 12.652 -10.679 1.935 1.00 -0.57 O ATOM 0 H GLY A 145 11.518 -10.576 4.213 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 12.501 -13.282 3.519 1.00 0.36 H new ATOM 0 HA3 GLY A 145 10.825 -12.796 3.362 1.00 0.36 H new ATOM 2200 N ASP A 146 11.858 -12.535 0.914 1.00 -0.73 N ATOM 2201 CA ASP A 146 12.105 -12.075 -0.443 1.00 0.36 C ATOM 2202 C ASP A 146 11.126 -10.943 -0.803 1.00 0.57 C ATOM 2203 O ASP A 146 9.916 -11.181 -0.825 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.965 -13.249 -1.416 1.00 0.06 C ATOM 2205 CG ASP A 146 12.437 -12.843 -2.800 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.841 -11.974 -3.415 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.534 -13.449 -3.246 1.00 -0.65 O ATOM 0 H ASP A 146 11.437 -13.463 0.965 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.119 -11.682 -0.515 1.00 0.36 H new ATOM 0 HB2 ASP A 146 12.549 -14.098 -1.059 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.925 -13.573 -1.459 1.00 0.06 H new ATOM 2213 N PRO A 147 11.607 -9.714 -1.069 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.751 -8.591 -1.430 1.00 0.36 C ATOM 2215 C PRO A 147 10.470 -8.522 -2.937 1.00 0.57 C ATOM 2216 O PRO A 147 9.518 -7.851 -3.332 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.523 -7.357 -0.971 1.00 0.00 C ATOM 2218 CG PRO A 147 12.994 -7.765 -1.089 1.00 0.00 C ATOM 2219 CD PRO A 147 12.997 -9.286 -0.992 1.00 0.30 C ATOM 0 HA PRO A 147 9.770 -8.680 -0.963 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.299 -6.492 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.266 -7.085 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.421 -7.430 -2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.591 -7.319 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.582 -9.724 -1.801 1.00 0.30 H new ATOM 0 HD3 PRO A 147 13.451 -9.613 -0.057 1.00 0.30 H new ATOM 2227 N GLN A 148 11.270 -9.195 -3.780 1.00 -0.73 N ATOM 2228 CA GLN A 148 11.069 -9.217 -5.229 1.00 0.36 C ATOM 2229 C GLN A 148 9.771 -9.945 -5.563 1.00 0.57 C ATOM 2230 O GLN A 148 9.084 -9.590 -6.521 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.231 -9.942 -5.939 1.00 0.00 C ATOM 2232 CG GLN A 148 13.272 -9.006 -6.552 1.00 0.06 C ATOM 2233 CD GLN A 148 14.080 -8.255 -5.501 1.00 0.57 C ATOM 2234 OE1 GLN A 148 13.856 -7.075 -5.266 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 15.036 -8.926 -4.864 1.00 -0.80 N ATOM 0 H GLN A 148 12.075 -9.739 -3.470 1.00 -0.73 H new ATOM 0 HA GLN A 148 11.025 -8.184 -5.574 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.726 -10.599 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.822 -10.577 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.949 -9.585 -7.180 1.00 0.06 H new ATOM 0 HG3 GLN A 148 12.771 -8.288 -7.201 1.00 0.06 H new ATOM 0 HE21 GLN A 148 15.200 -9.909 -5.081 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 15.605 -8.457 -4.159 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.469 -10.995 -4.797 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.306 -11.829 -5.013 1.00 0.36 C ATOM 2246 C ASN A 149 7.761 -12.299 -3.671 1.00 0.57 C ATOM 2247 O ASN A 149 7.814 -13.475 -3.339 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.598 -12.942 -6.036 1.00 0.06 C ATOM 2249 CG ASN A 149 9.615 -14.007 -5.632 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.269 -15.170 -5.494 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.891 -13.663 -5.527 1.00 -0.80 N ATOM 0 H ASN A 149 10.038 -11.286 -4.002 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.504 -11.254 -5.475 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.658 -13.443 -6.269 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.946 -12.473 -6.956 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.596 -14.373 -5.329 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 11.168 -12.688 -5.644 1.00 -0.80 H new ATOM 2258 N PHE A 150 7.208 -11.353 -2.905 1.00 -0.73 N ATOM 2259 CA PHE A 150 6.544 -11.631 -1.636 1.00 0.36 C ATOM 2260 C PHE A 150 5.357 -12.582 -1.852 1.00 0.57 C ATOM 2261 O PHE A 150 5.291 -13.633 -1.215 1.00 -0.57 O ATOM 2262 CB PHE A 150 6.099 -10.307 -0.977 1.00 0.14 C ATOM 2263 CG PHE A 150 5.215 -9.414 -1.840 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.789 -8.545 -2.788 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.812 -9.466 -1.722 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 4.967 -7.779 -3.633 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 2.991 -8.748 -2.603 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.570 -7.899 -3.561 1.00 -0.15 C ATOM 0 H PHE A 150 7.211 -10.364 -3.155 1.00 -0.73 H new ATOM 0 HA PHE A 150 7.243 -12.126 -0.962 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.563 -10.541 -0.057 1.00 0.14 H new ATOM 0 HB3 PHE A 150 6.989 -9.745 -0.694 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.863 -8.467 -2.866 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.364 -10.066 -0.944 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 5.412 -7.095 -4.341 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 1.917 -8.847 -2.545 1.00 -0.15 H new ATOM 0 HZ PHE A 150 2.943 -7.341 -4.240 1.00 -0.15 H new ATOM 2278 N LYS A 151 4.472 -12.205 -2.792 1.00 -0.73 N ATOM 2279 CA LYS A 151 3.079 -12.642 -2.949 1.00 0.36 C ATOM 2280 C LYS A 151 2.272 -12.515 -1.650 1.00 0.57 C ATOM 2281 O LYS A 151 2.815 -12.407 -0.557 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.960 -14.036 -3.588 1.00 0.00 C ATOM 2283 CG LYS A 151 3.399 -14.100 -5.063 1.00 0.00 C ATOM 2284 CD LYS A 151 4.923 -14.060 -5.259 1.00 0.00 C ATOM 2285 CE LYS A 151 5.364 -14.909 -6.459 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.124 -14.237 -7.755 1.00 -0.85 N ATOM 0 H LYS A 151 4.735 -11.536 -3.515 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.624 -11.950 -3.657 1.00 0.36 H new ATOM 0 HB2 LYS A 151 3.562 -14.739 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 151 1.924 -14.368 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.009 -15.015 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.951 -13.266 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 151 5.244 -13.029 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.416 -14.422 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 151 6.425 -15.139 -6.365 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.829 -15.859 -6.443 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.440 -14.854 -8.530 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 4.108 -14.040 -7.861 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 5.655 -13.343 -7.786 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.946 -12.460 -1.777 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.042 -12.401 -0.638 1.00 0.36 C ATOM 2302 C LEU A 152 0.291 -13.655 0.219 1.00 0.57 C ATOM 2303 O LEU A 152 0.205 -14.771 -0.309 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.420 -12.276 -1.114 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.763 -10.931 -1.805 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.581 -10.929 -3.316 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.211 -10.496 -1.546 1.00 0.00 C ATOM 0 H LEU A 152 0.471 -12.455 -2.679 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.230 -11.517 -0.028 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.633 -13.090 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.080 -12.407 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.048 -10.241 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.844 -9.948 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.542 -11.151 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.227 -11.686 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.402 -9.549 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.893 -11.255 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.368 -10.374 -0.474 1.00 0.00 H new ATOM 2319 N SER A 153 0.657 -13.455 1.496 1.00 -0.73 N ATOM 2320 CA SER A 153 1.067 -14.512 2.423 1.00 0.36 C ATOM 2321 C SER A 153 -0.115 -14.947 3.301 1.00 0.57 C ATOM 2322 O SER A 153 -0.889 -15.809 2.890 1.00 -0.57 O ATOM 2323 CB SER A 153 2.268 -14.062 3.283 1.00 0.28 C ATOM 2324 OG SER A 153 3.463 -13.917 2.548 1.00 -0.68 O ATOM 0 H SER A 153 0.675 -12.527 1.919 1.00 -0.73 H new ATOM 0 HA SER A 153 1.388 -15.374 1.838 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.027 -13.112 3.761 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.427 -14.789 4.080 1.00 0.28 H new ATOM 0 HG SER A 153 4.183 -13.629 3.148 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.270 -14.378 4.506 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.275 -14.797 5.481 1.00 0.36 C ATOM 2332 C GLN A 154 -1.911 -13.585 6.134 1.00 0.57 C ATOM 2333 O GLN A 154 -3.132 -13.528 6.176 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.677 -15.695 6.576 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.253 -17.085 6.064 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.007 -18.224 6.748 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.233 -18.293 6.678 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -0.288 -19.159 7.363 1.00 -0.80 N ATOM 0 H GLN A 154 0.310 -13.604 4.830 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.026 -15.370 4.937 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.189 -15.197 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.409 -15.818 7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.422 -17.138 4.988 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.817 -17.216 6.225 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.728 -19.076 7.405 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -0.752 -19.959 7.792 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.118 -12.599 6.572 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.622 -11.314 7.046 1.00 0.36 C ATOM 2349 C ASP A 155 -2.481 -10.636 5.981 1.00 0.57 C ATOM 2350 O ASP A 155 -3.468 -9.990 6.319 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.451 -10.400 7.426 1.00 0.06 C ATOM 2352 CG ASP A 155 0.342 -9.892 6.221 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.606 -8.701 6.191 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.744 -10.775 5.311 1.00 -0.65 O ATOM 0 H ASP A 155 -0.101 -12.676 6.606 1.00 -0.73 H new ATOM 0 HA ASP A 155 -2.242 -11.495 7.924 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.833 -9.546 7.985 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.221 -10.942 8.091 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.120 -10.832 4.709 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.851 -10.332 3.559 1.00 0.36 C ATOM 2362 C ASP A 156 -4.238 -10.954 3.504 1.00 0.57 C ATOM 2363 O ASP A 156 -5.228 -10.237 3.603 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.086 -10.661 2.267 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.907 -9.443 1.371 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.889 -9.431 0.699 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -2.850 -8.505 1.364 1.00 -0.65 O ATOM 0 H ASP A 156 -1.285 -11.359 4.452 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.951 -9.251 3.653 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.107 -11.068 2.521 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.621 -11.436 1.719 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.316 -12.290 3.401 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.583 -13.008 3.296 1.00 0.36 C ATOM 2375 C ILE A 157 -6.379 -12.737 4.571 1.00 0.57 C ATOM 2376 O ILE A 157 -7.524 -12.321 4.482 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.353 -14.521 3.010 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.135 -14.814 1.505 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.536 -15.409 3.446 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.879 -14.196 0.891 1.00 0.00 C ATOM 0 H ILE A 157 -3.497 -12.898 3.389 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.164 -12.652 2.446 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.462 -14.759 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.093 -15.894 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.003 -14.454 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.312 -16.451 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.698 -15.298 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.435 -15.106 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.821 -14.462 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.921 -13.111 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.997 -14.574 1.409 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.783 -12.918 5.756 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.439 -12.728 7.047 1.00 0.36 C ATOM 2394 C LYS A 158 -6.957 -11.301 7.206 1.00 0.57 C ATOM 2395 O LYS A 158 -8.050 -11.089 7.734 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.419 -13.042 8.147 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.035 -13.008 9.547 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.938 -13.167 10.594 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.534 -13.059 11.999 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.731 -13.824 12.971 1.00 -0.85 N ATOM 0 H LYS A 158 -4.809 -13.207 5.841 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.299 -13.394 7.116 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.988 -14.027 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.602 -12.322 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.563 -12.067 9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.769 -13.807 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.445 -14.132 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.176 -12.400 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.577 -12.012 12.301 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.558 -13.432 11.994 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -5.154 -13.736 13.917 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -4.711 -14.826 12.693 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -3.761 -13.450 12.990 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.158 -10.324 6.780 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.531 -8.930 6.779 1.00 0.36 C ATOM 2416 C GLY A 159 -7.696 -8.719 5.829 1.00 0.57 C ATOM 2417 O GLY A 159 -8.709 -8.168 6.248 1.00 -0.57 O ATOM 0 H GLY A 159 -5.218 -10.493 6.421 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.807 -8.616 7.786 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.684 -8.316 6.474 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.585 -9.185 4.584 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.639 -9.106 3.582 1.00 0.36 C ATOM 2423 C ILE A 160 -9.932 -9.714 4.118 1.00 0.57 C ATOM 2424 O ILE A 160 -10.970 -9.057 4.091 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.166 -9.782 2.270 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.452 -8.774 1.347 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.306 -10.509 1.539 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.408 -7.775 0.689 1.00 0.00 C ATOM 0 H ILE A 160 -6.738 -9.638 4.240 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.852 -8.061 3.356 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.442 -10.547 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.707 -8.227 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.916 -9.319 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.921 -10.965 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.718 -11.284 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.089 -9.795 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.842 -7.095 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.138 -8.314 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.926 -7.205 1.460 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.869 -10.951 4.613 1.00 -0.73 N ATOM 2441 CA GLN A 161 -11.027 -11.678 5.101 1.00 0.36 C ATOM 2442 C GLN A 161 -11.681 -10.878 6.229 1.00 0.57 C ATOM 2443 O GLN A 161 -12.891 -10.925 6.398 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.614 -13.093 5.542 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.974 -13.966 4.437 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.728 -15.252 4.106 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -11.708 -15.257 3.378 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.289 -16.398 4.607 1.00 -0.80 N ATOM 0 H GLN A 161 -8.998 -11.477 4.684 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.764 -11.798 4.307 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.909 -13.007 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.495 -13.608 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -9.889 -13.370 3.529 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -8.961 -14.226 4.743 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -9.471 -16.408 5.217 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -10.769 -17.270 4.383 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.909 -10.077 6.970 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.454 -9.159 7.954 1.00 0.36 C ATOM 2459 C LYS A 162 -11.982 -7.858 7.316 1.00 0.57 C ATOM 2460 O LYS A 162 -13.051 -7.413 7.720 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.384 -8.970 9.031 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.948 -8.356 10.311 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.480 -9.055 11.599 1.00 0.00 C ATOM 2464 CE LYS A 162 -8.983 -8.886 11.909 1.00 0.50 C ATOM 2465 NZ LYS A 162 -8.114 -9.809 11.145 1.00 -0.85 N ATOM 0 H LYS A 162 -9.892 -10.053 6.899 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.347 -9.567 8.427 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.931 -9.934 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.591 -8.330 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.661 -7.305 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.037 -8.387 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -11.058 -8.667 12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.704 -10.119 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -8.689 -7.859 11.692 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -8.821 -9.045 12.975 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -7.187 -9.879 11.611 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -8.555 -10.750 11.108 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -7.988 -9.447 10.178 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.319 -7.284 6.299 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.761 -6.078 5.576 1.00 0.36 C ATOM 2481 C LEU A 163 -13.186 -6.216 5.041 1.00 0.57 C ATOM 2482 O LEU A 163 -14.003 -5.335 5.296 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.848 -5.743 4.377 1.00 0.00 C ATOM 2484 CG LEU A 163 -9.565 -4.960 4.689 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -8.689 -4.892 3.436 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.861 -3.542 5.164 1.00 0.00 C ATOM 0 H LEU A 163 -10.437 -7.655 5.947 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.713 -5.277 6.313 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.567 -6.677 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.430 -5.170 3.655 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.048 -5.485 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.778 -4.336 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.429 -5.902 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.235 -4.390 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -8.924 -3.025 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.406 -3.005 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -10.464 -3.581 6.071 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.491 -7.294 4.305 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.843 -7.499 3.761 1.00 0.36 C ATOM 2500 C TYR A 164 -15.743 -8.300 4.716 1.00 0.57 C ATOM 2501 O TYR A 164 -16.888 -8.625 4.384 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.792 -8.092 2.344 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.490 -9.577 2.237 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -13.161 -10.022 2.186 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.534 -10.515 2.132 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.862 -11.379 1.993 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -15.248 -11.887 1.988 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.905 -12.322 1.905 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.593 -13.635 1.731 1.00 -0.53 O ATOM 0 H TYR A 164 -12.827 -8.033 4.073 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.311 -6.519 3.673 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.751 -7.904 1.862 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -14.037 -7.549 1.775 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.356 -9.310 2.297 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.561 -10.181 2.162 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.834 -11.700 1.912 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -16.053 -12.605 1.941 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.959 -13.915 2.424 1.00 -0.53 H new ATOM 2519 N GLY A 165 -15.216 -8.618 5.903 1.00 -0.73 N ATOM 2520 CA GLY A 165 -15.801 -9.546 6.848 1.00 0.36 C ATOM 2521 C GLY A 165 -15.770 -10.983 6.321 1.00 0.57 C ATOM 2522 O GLY A 165 -15.767 -11.227 5.114 1.00 -0.57 O ATOM 0 H GLY A 165 -14.339 -8.216 6.234 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -15.260 -9.493 7.793 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -16.831 -9.256 7.054 1.00 0.36 H new ATOM 2526 N LYS A 166 -15.802 -11.962 7.229 1.00 -0.73 N ATOM 2527 CA LYS A 166 -15.683 -13.371 6.856 1.00 0.36 C ATOM 2528 C LYS A 166 -16.805 -14.169 7.500 1.00 0.57 C ATOM 2529 O LYS A 166 -17.718 -14.608 6.804 1.00 -0.57 O ATOM 2530 CB LYS A 166 -14.285 -13.921 7.206 1.00 0.00 C ATOM 2531 CG LYS A 166 -13.954 -15.166 6.370 1.00 0.00 C ATOM 2532 CD LYS A 166 -12.803 -15.979 6.981 1.00 0.00 C ATOM 2533 CE LYS A 166 -12.867 -17.440 6.531 1.00 0.50 C ATOM 2534 NZ LYS A 166 -13.366 -18.308 7.614 1.00 -0.85 N ATOM 0 H LYS A 166 -15.910 -11.802 8.231 1.00 -0.73 H new ATOM 0 HA LYS A 166 -15.787 -13.469 5.775 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -13.534 -13.151 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -14.244 -14.170 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -14.840 -15.795 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -13.686 -14.863 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -11.848 -15.545 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.853 -15.927 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -13.518 -17.528 5.661 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -11.876 -17.772 6.222 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -13.399 -19.293 7.282 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -12.730 -18.240 8.434 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -14.321 -18.003 7.891 1.00 -0.85 H new ATOM 2548 N ARG A 167 -16.759 -14.324 8.827 1.00 -0.73 N ATOM 2549 CA ARG A 167 -17.735 -15.081 9.612 1.00 0.36 C ATOM 2550 C ARG A 167 -17.738 -14.564 11.048 1.00 0.57 C ATOM 2551 O ARG A 167 -18.779 -14.139 11.559 1.00 -0.57 O ATOM 2552 CB ARG A 167 -17.385 -16.587 9.607 1.00 0.00 C ATOM 2553 CG ARG A 167 -17.769 -17.299 8.301 1.00 0.00 C ATOM 2554 CD ARG A 167 -17.704 -18.825 8.446 1.00 0.33 C ATOM 2555 NE ARG A 167 -18.566 -19.486 7.452 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -19.662 -20.227 7.672 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -20.122 -20.440 8.909 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -20.290 -20.759 6.624 1.00 -0.97 N ATOM 0 H ARG A 167 -16.021 -13.914 9.399 1.00 -0.73 H new ATOM 0 HA ARG A 167 -18.722 -14.950 9.168 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -16.314 -16.704 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -17.893 -17.073 10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -18.777 -17.004 8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -17.099 -16.981 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -16.675 -19.162 8.322 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -18.015 -19.112 9.451 1.00 0.33 H new ATOM 0 HE ARG A 167 -18.296 -19.365 6.476 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -19.637 -20.035 9.710 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -20.958 -21.007 9.052 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -19.935 -20.599 5.681 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -21.126 -21.327 6.764 1.00 -0.97 H new ATOM 2572 N SER A 168 -16.560 -14.540 11.674 1.00 -0.73 N ATOM 2573 CA SER A 168 -16.385 -14.163 13.063 1.00 0.36 C ATOM 2574 C SER A 168 -15.275 -13.125 13.170 1.00 0.57 C ATOM 2575 O SER A 168 -14.427 -12.991 12.279 1.00 -0.57 O ATOM 2576 CB SER A 168 -16.073 -15.414 13.902 1.00 0.28 C ATOM 2577 OG SER A 168 -17.162 -15.728 14.748 1.00 -0.68 O ATOM 0 H SER A 168 -15.686 -14.789 11.212 1.00 -0.73 H new ATOM 0 HA SER A 168 -17.302 -13.720 13.450 1.00 0.36 H new ATOM 0 HB2 SER A 168 -15.861 -16.257 13.244 1.00 0.28 H new ATOM 0 HB3 SER A 168 -15.178 -15.244 14.500 1.00 0.28 H new ATOM 0 HG SER A 168 -16.948 -16.527 15.274 1.00 -0.68 H new ATOM 2583 N ASN A 169 -15.310 -12.390 14.281 1.00 -0.73 N ATOM 2584 CA ASN A 169 -14.264 -11.448 14.641 1.00 0.36 C ATOM 2585 C ASN A 169 -12.963 -12.203 14.960 1.00 0.57 C ATOM 2586 O ASN A 169 -12.927 -13.433 15.028 1.00 -0.57 O ATOM 2587 CB ASN A 169 -14.747 -10.533 15.784 1.00 0.06 C ATOM 2588 CG ASN A 169 -15.087 -11.279 17.069 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -14.225 -11.492 17.910 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -16.353 -11.650 17.248 1.00 -0.80 N ATOM 0 H ASN A 169 -16.072 -12.436 14.957 1.00 -0.73 H new ATOM 0 HA ASN A 169 -14.039 -10.793 13.799 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -13.974 -9.795 15.997 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -15.628 -9.984 15.450 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -16.628 -12.127 18.107 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -17.048 -11.457 16.527 1.00 -0.80 H new ATOM 2597 N SER A 170 -11.891 -11.435 15.148 1.00 -0.73 N ATOM 2598 CA SER A 170 -10.564 -11.929 15.498 1.00 0.36 C ATOM 2599 C SER A 170 -10.086 -11.097 16.688 1.00 0.57 C ATOM 2600 O SER A 170 -9.838 -11.652 17.755 1.00 -0.57 O ATOM 2601 CB SER A 170 -9.624 -11.795 14.281 1.00 0.28 C ATOM 2602 OG SER A 170 -9.228 -13.036 13.728 1.00 -0.68 O ATOM 0 H SER A 170 -11.925 -10.420 15.058 1.00 -0.73 H new ATOM 0 HA SER A 170 -10.577 -12.984 15.770 1.00 0.36 H new ATOM 0 HB2 SER A 170 -10.123 -11.207 13.511 1.00 0.28 H new ATOM 0 HB3 SER A 170 -8.735 -11.240 14.580 1.00 0.28 H new ATOM 0 HG SER A 170 -8.637 -12.879 12.962 1.00 -0.68 H new ATOM 2608 N ARG A 171 -10.063 -9.762 16.524 1.00 -0.73 N ATOM 2609 CA ARG A 171 -9.455 -8.812 17.461 1.00 0.36 C ATOM 2610 C ARG A 171 -7.950 -9.115 17.635 1.00 0.57 C ATOM 2611 O ARG A 171 -7.436 -10.020 16.975 1.00 -0.57 O ATOM 2612 CB ARG A 171 -10.296 -8.776 18.767 1.00 0.00 C ATOM 2613 CG ARG A 171 -10.551 -7.365 19.324 1.00 0.00 C ATOM 2614 CD ARG A 171 -9.652 -6.983 20.508 1.00 0.33 C ATOM 2615 NE ARG A 171 -10.391 -7.067 21.775 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -10.147 -6.351 22.878 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -9.079 -5.551 22.962 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -11.011 -6.444 23.889 1.00 -0.97 N ATOM 0 H ARG A 171 -10.480 -9.306 15.712 1.00 -0.73 H new ATOM 0 HA ARG A 171 -9.478 -7.794 17.071 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -11.256 -9.257 18.579 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -9.787 -9.367 19.528 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -10.406 -6.639 18.524 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -11.593 -7.293 19.636 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -8.787 -7.646 20.542 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -9.272 -5.971 20.370 1.00 0.33 H new ATOM 0 HE ARG A 171 -11.162 -7.733 21.817 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -8.433 -5.479 22.176 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -8.910 -5.013 23.812 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -11.829 -7.048 23.807 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -10.854 -5.911 24.744 1.00 -0.97 H new ATOM 2632 N LYS A 172 -7.265 -8.334 18.484 1.00 -0.73 N ATOM 2633 CA LYS A 172 -5.833 -8.426 18.813 1.00 0.36 C ATOM 2634 C LYS A 172 -4.926 -8.045 17.623 1.00 0.57 C ATOM 2635 O LYS A 172 -5.271 -8.244 16.459 1.00 -0.57 O ATOM 2636 CB LYS A 172 -5.538 -9.815 19.433 1.00 0.00 C ATOM 2637 CG LYS A 172 -4.125 -10.028 19.997 1.00 0.00 C ATOM 2638 CD LYS A 172 -3.943 -9.434 21.397 1.00 0.00 C ATOM 2639 CE LYS A 172 -2.471 -9.149 21.684 1.00 0.50 C ATOM 2640 NZ LYS A 172 -2.117 -7.762 21.335 1.00 -0.85 N ATOM 0 H LYS A 172 -7.723 -7.576 18.990 1.00 -0.73 H new ATOM 0 HA LYS A 172 -5.585 -7.680 19.568 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -6.255 -9.990 20.235 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -5.719 -10.574 18.672 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -3.911 -11.096 20.031 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -3.398 -9.578 19.320 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -4.519 -8.512 21.482 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -4.335 -10.125 22.143 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -2.263 -9.325 22.739 1.00 0.50 H new ATOM 0 HE3 LYS A 172 -1.847 -9.840 21.117 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 -1.243 -7.758 20.771 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 -2.888 -7.336 20.782 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 -1.970 -7.212 22.205 1.00 -0.85 H new ATOM 2654 N LYS A 173 -3.743 -7.485 17.913 1.00 -0.73 N ATOM 2655 CA LYS A 173 -2.713 -7.118 16.939 1.00 0.19 C ATOM 2656 CB LYS A 173 -3.026 -5.710 16.388 1.00 0.00 C ATOM 2657 CG LYS A 173 -2.245 -5.354 15.105 1.00 0.00 C ATOM 2658 CD LYS A 173 -1.127 -4.308 15.293 1.00 0.00 C ATOM 2659 CE LYS A 173 0.188 -4.735 14.621 1.00 0.50 C ATOM 2660 NZ LYS A 173 1.148 -5.292 15.592 1.00 -0.85 N ATOM 0 H LYS A 173 -3.470 -7.268 18.871 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 -4.094 -5.640 16.183 1.00 0.00 H new ATOM 0 HB3 LYS A 173 -2.800 -4.971 17.157 1.00 0.00 H new ATOM 0 HG2 LYS A 173 -1.805 -6.266 14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 173 -2.949 -4.982 14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 173 -1.452 -3.354 14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 173 -0.954 -4.151 16.358 1.00 0.00 H new ATOM 0 HE2 LYS A 173 -0.022 -5.478 13.852 1.00 0.50 H new ATOM 0 HE3 LYS A 173 0.635 -3.876 14.121 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 2.021 -5.567 15.098 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 1.369 -4.575 16.312 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 0.732 -6.127 16.051 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 13.513 7.804 4.910 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.269 10.576 0.229 1.00 2.00 CA HETATM 2677 ZN ZN A 176 2.979 12.674 3.897 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.446 -0.216 7.367 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 7.015 2.958 10.763 1.00 0.00 C HETATM 2680 C2 MDW A 178 6.072 3.943 11.048 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.947 4.383 12.325 1.00 0.00 O HETATM 2682 C7 MDW A 178 5.223 4.438 10.057 1.00 0.00 C HETATM 2683 O12 MDW A 178 4.316 5.438 10.382 1.00 0.00 O HETATM 2684 C13 MDW A 178 2.964 5.427 9.872 1.00 0.00 C HETATM 2685 C6 MDW A 178 5.309 3.905 8.766 1.00 0.00 C HETATM 2686 C5 MDW A 178 6.202 2.865 8.482 1.00 0.00 C HETATM 2687 C8 MDW A 178 6.162 2.216 7.100 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.846 1.494 6.913 1.00 0.00 C HETATM 2689 O15 MDW A 178 4.552 0.446 7.547 1.00 0.00 O HETATM 2690 N16 MDW A 178 3.977 2.065 6.047 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.705 1.520 5.955 1.00 0.00 O HETATM 2692 C4 MDW A 178 7.062 2.394 9.489 1.00 0.00 C HETATM 2693 C10 MDW A 178 8.008 1.244 9.219 1.00 0.00 C HETATM 2694 C11 MDW A 178 7.623 0.428 7.979 1.00 0.00 C HETATM 2695 N9 MDW A 178 7.314 1.305 6.831 1.00 0.00 N HETATM 2696 S18 MDW A 178 8.629 1.935 6.028 1.00 0.00 S HETATM 2697 O40 MDW A 178 8.335 3.359 5.761 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.907 1.583 6.711 1.00 0.00 O HETATM 2699 C19 MDW A 178 8.520 1.111 4.481 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.444 1.372 3.625 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.416 0.775 2.364 1.00 0.00 C HETATM 2702 C22 MDW A 178 8.453 -0.077 1.972 1.00 0.00 C HETATM 2703 O25 MDW A 178 8.427 -0.642 0.716 1.00 0.00 O HETATM 2704 C26 MDW A 178 8.704 -2.044 0.534 1.00 0.00 C HETATM 2705 C23 MDW A 178 9.520 -0.330 2.836 1.00 0.00 C HETATM 2706 C24 MDW A 178 9.561 0.270 4.091 1.00 0.00 C HETATM 0 H48 MDW A 178 6.637 2.034 3.940 1.00 0.00 H new HETATM 0 H47 MDW A 178 9.709 -2.266 0.894 1.00 0.00 H new HETATM 0 H46 MDW A 178 7.979 -2.634 1.095 1.00 0.00 H new HETATM 0 H45 MDW A 178 8.634 -2.294 -0.525 1.00 0.00 H new HETATM 0 H44 MDW A 178 10.399 0.084 4.763 1.00 0.00 H new HETATM 0 H43 MDW A 178 10.323 -0.999 2.527 1.00 0.00 H new HETATM 0 H42 MDW A 178 6.586 0.973 1.685 1.00 0.00 H new HETATM 0 H38 MDW A 178 4.248 2.869 5.481 1.00 0.00 H new HETATM 0 H37 MDW A 178 2.986 5.457 8.783 1.00 0.00 H new HETATM 0 H36 MDW A 178 2.459 4.518 10.200 1.00 0.00 H new HETATM 0 H35 MDW A 178 2.426 6.297 10.248 1.00 0.00 H new HETATM 0 H34 MDW A 178 8.440 -0.244 7.716 1.00 0.00 H new HETATM 0 H33 MDW A 178 6.758 -0.195 8.206 1.00 0.00 H new HETATM 0 H32 MDW A 178 9.018 1.634 9.091 1.00 0.00 H new HETATM 0 H31 MDW A 178 8.028 0.586 10.088 1.00 0.00 H new HETATM 0 H30 MDW A 178 6.250 3.021 6.370 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.675 4.303 7.974 1.00 0.00 H new HETATM 0 H28 MDW A 178 7.713 2.630 11.533 1.00 0.00 H new HETATM 0 H27 MDW A 178 5.019 4.652 12.489 1.00 0.00 H new