USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 MET CE :methyl -175:sc= 0 (180deg=-0.00586) USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -0.84 F(o=-3.1!,f=-0.84) USER MOD Set 2.1: A 82 CYS SG : rot -89:sc= -0.336 USER MOD Set 2.2: A 102 THR OG1 : rot 164:sc= 0.887 USER MOD Set 3.1: A 59 ASN : amide:sc= 0.993 K(o=3,f=-6.6!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 149:sc= 1.99 (180deg=0.259) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.795 K(o=0.8,f=-0.57) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0175 F(o=-0.81,f=-0.018) USER MOD Single : A 15 HIS :FLIP no HD1:sc=-0.00842 F(o=-0.6,f=-0.0084) USER MOD Single : A 16 HIS : no HD1:sc= 1.3 K(o=1.3,f=-6.1!) USER MOD Single : A 17 ASN : amide:sc=-0.00592 X(o=-0.0059,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 135:sc= 1.24 (180deg=0.327) USER MOD Single : A 29 THR OG1 : rot 60:sc= 1.23 USER MOD Single : A 32 SER OG : rot -84:sc= 1.14 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.099) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 96:sc= 1.24 USER MOD Single : A 51 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0971 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 78:sc= 1.17 USER MOD Single : A 81 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.8!) USER MOD Single : A 85 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.615 K(o=-0.61,f=-1.3!) USER MOD Single : A 90 GLN :FLIP amide:sc= -1.54 F(o=-3.3!,f=-1.5) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 100 MET CE :methyl -167:sc= 0 (180deg=-0.116) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 120:sc= 0.0305 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 113 GLN :FLIP amide:sc= -2.01 F(o=-3.4!,f=-2) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.287 F(o=-2.5!,f=-0.29) USER MOD Single : A 125 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.13) USER MOD Single : A 129 THR OG1 : rot -149:sc= 1.24 USER MOD Single : A 130 LYS NZ :NH3+ 164:sc= -0.0347 (180deg=-0.277) USER MOD Single : A 134 LYS NZ :NH3+ -149:sc= 2.23 (180deg=0.461) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.043 8.235 3.237 1.00 0.00 N ATOM 2 CA PRO A 1 3.717 8.074 1.966 1.00 0.00 C ATOM 3 C PRO A 1 5.184 8.389 2.143 1.00 0.00 C ATOM 4 O PRO A 1 5.562 8.956 3.136 1.00 0.00 O ATOM 5 CB PRO A 1 3.085 9.008 0.956 1.00 0.00 C ATOM 6 CG PRO A 1 2.191 9.860 1.793 1.00 0.00 C ATOM 7 CD PRO A 1 1.873 9.068 3.045 1.00 0.00 C ATOM 0 H2 PRO A 1 3.671 8.661 3.918 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.771 7.325 3.610 1.00 0.00 H new ATOM 0 HA PRO A 1 3.621 7.049 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.834 9.603 0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.525 8.461 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.680 10.801 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.278 10.110 1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.704 9.723 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.972 8.468 2.920 1.00 0.00 H new ATOM 17 N VAL A 2 5.994 7.969 1.222 1.00 0.00 N ATOM 18 CA VAL A 2 7.419 8.230 1.238 1.00 0.00 C ATOM 19 C VAL A 2 7.813 8.906 -0.072 1.00 0.00 C ATOM 20 O VAL A 2 7.225 8.615 -1.107 1.00 0.00 O ATOM 21 CB VAL A 2 8.235 6.894 1.407 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.738 7.143 1.394 1.00 0.00 C ATOM 23 CG2 VAL A 2 7.844 6.178 2.691 1.00 0.00 C ATOM 0 H VAL A 2 5.687 7.423 0.417 1.00 0.00 H new ATOM 0 HA VAL A 2 7.649 8.879 2.083 1.00 0.00 H new ATOM 0 HB VAL A 2 7.988 6.261 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.265 6.196 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.023 7.600 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.003 7.811 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.421 5.258 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.049 6.824 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.781 5.938 2.665 1.00 0.00 H new ATOM 33 N THR A 3 8.749 9.827 -0.013 1.00 0.00 N ATOM 34 CA THR A 3 9.274 10.466 -1.199 1.00 0.00 C ATOM 35 C THR A 3 10.816 10.347 -1.186 1.00 0.00 C ATOM 36 O THR A 3 11.427 10.431 -0.108 1.00 0.00 O ATOM 37 CB THR A 3 8.802 11.955 -1.292 1.00 0.00 C ATOM 38 OG1 THR A 3 9.400 12.622 -2.409 1.00 0.00 O ATOM 39 CG2 THR A 3 9.090 12.727 0.000 1.00 0.00 C ATOM 0 H THR A 3 9.167 10.154 0.858 1.00 0.00 H new ATOM 0 HA THR A 3 8.890 9.966 -2.088 1.00 0.00 H new ATOM 0 HB THR A 3 7.722 11.934 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.086 13.550 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.747 13.756 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.566 12.254 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.162 12.721 0.196 1.00 0.00 H new ATOM 47 N GLU A 4 11.442 10.104 -2.354 1.00 0.00 N ATOM 48 CA GLU A 4 12.892 9.900 -2.419 1.00 0.00 C ATOM 49 C GLU A 4 13.654 10.916 -3.279 1.00 0.00 C ATOM 50 O GLU A 4 13.075 11.752 -3.959 1.00 0.00 O ATOM 51 CB GLU A 4 13.258 8.457 -2.826 1.00 0.00 C ATOM 52 CG GLU A 4 12.568 7.905 -4.077 1.00 0.00 C ATOM 53 CD GLU A 4 12.740 8.735 -5.334 1.00 0.00 C ATOM 54 OE1 GLU A 4 11.964 9.695 -5.530 1.00 0.00 O ATOM 55 OE2 GLU A 4 13.633 8.444 -6.146 1.00 0.00 O ATOM 0 H GLU A 4 10.967 10.046 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 4 13.227 10.075 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.336 8.409 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.027 7.797 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.949 6.902 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.502 7.806 -3.870 1.00 0.00 H new ATOM 62 N THR A 5 14.906 10.865 -3.127 1.00 0.00 N ATOM 63 CA THR A 5 15.812 11.657 -3.902 1.00 0.00 C ATOM 64 C THR A 5 16.984 10.764 -4.276 1.00 0.00 C ATOM 65 O THR A 5 17.221 9.729 -3.618 1.00 0.00 O ATOM 66 CB THR A 5 16.297 12.970 -3.146 1.00 0.00 C ATOM 67 OG1 THR A 5 16.918 13.881 -4.077 1.00 0.00 O ATOM 68 CG2 THR A 5 17.289 12.674 -2.025 1.00 0.00 C ATOM 0 H THR A 5 15.365 10.260 -2.446 1.00 0.00 H new ATOM 0 HA THR A 5 15.300 12.022 -4.793 1.00 0.00 H new ATOM 0 HB THR A 5 15.406 13.416 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.211 14.686 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.585 13.607 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.822 12.020 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.170 12.184 -2.439 1.00 0.00 H new ATOM 76 N VAL A 6 17.693 11.138 -5.311 1.00 0.00 N ATOM 77 CA VAL A 6 18.858 10.437 -5.749 1.00 0.00 C ATOM 78 C VAL A 6 20.019 11.375 -5.647 1.00 0.00 C ATOM 79 O VAL A 6 19.967 12.517 -6.141 1.00 0.00 O ATOM 80 CB VAL A 6 18.691 9.935 -7.227 1.00 0.00 C ATOM 81 CG1 VAL A 6 19.870 9.084 -7.638 1.00 0.00 C ATOM 82 CG2 VAL A 6 17.383 9.169 -7.412 1.00 0.00 C ATOM 0 H VAL A 6 17.467 11.955 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 6 19.019 9.558 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 6 18.656 10.812 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 6 19.734 8.746 -8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 6 20.785 9.672 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 6 19.942 8.219 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.300 8.836 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.372 8.303 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.543 9.820 -7.172 1.00 0.00 H new ATOM 92 N ASP A 7 21.040 10.941 -4.942 1.00 0.00 N ATOM 93 CA ASP A 7 22.264 11.753 -4.766 1.00 0.00 C ATOM 94 C ASP A 7 23.087 11.694 -6.071 1.00 0.00 C ATOM 95 O ASP A 7 22.591 11.166 -7.073 1.00 0.00 O ATOM 96 CB ASP A 7 23.063 11.185 -3.562 1.00 0.00 C ATOM 97 CG ASP A 7 24.311 11.971 -3.200 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.207 13.123 -2.730 1.00 0.00 O ATOM 99 OD2 ASP A 7 25.414 11.456 -3.416 1.00 0.00 O ATOM 0 H ASP A 7 21.065 10.035 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 7 22.023 12.796 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 7 22.407 11.150 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 7 23.350 10.158 -3.786 1.00 0.00 H new ATOM 104 N GLY A 8 24.323 12.191 -6.079 1.00 0.00 N ATOM 105 CA GLY A 8 25.190 12.096 -7.260 1.00 0.00 C ATOM 106 C GLY A 8 25.756 10.690 -7.406 1.00 0.00 C ATOM 107 O GLY A 8 26.958 10.482 -7.525 1.00 0.00 O ATOM 0 H GLY A 8 24.750 12.664 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 8 24.624 12.359 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 8 26.006 12.814 -7.176 1.00 0.00 H new ATOM 111 N GLN A 9 24.860 9.755 -7.357 1.00 0.00 N ATOM 112 CA GLN A 9 25.069 8.350 -7.420 1.00 0.00 C ATOM 113 C GLN A 9 23.728 7.889 -7.962 1.00 0.00 C ATOM 114 O GLN A 9 23.040 8.661 -8.633 1.00 0.00 O ATOM 115 CB GLN A 9 25.215 7.763 -5.978 1.00 0.00 C ATOM 116 CG GLN A 9 26.006 8.602 -4.972 1.00 0.00 C ATOM 117 CD GLN A 9 26.074 7.975 -3.603 1.00 0.00 C ATOM 118 OE1 GLN A 9 26.072 6.755 -3.457 1.00 0.00 O ATOM 119 NE2 GLN A 9 26.083 8.798 -2.588 1.00 0.00 N ATOM 0 H GLN A 9 23.870 9.983 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 9 25.950 8.059 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 9 24.216 7.600 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 9 25.691 6.786 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 9 27.018 8.750 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 9 25.549 9.588 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 9 26.084 9.805 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 9 26.089 8.433 -1.636 1.00 0.00 H new ATOM 128 N GLY A 10 23.338 6.716 -7.642 1.00 0.00 N ATOM 129 CA GLY A 10 22.017 6.261 -7.922 1.00 0.00 C ATOM 130 C GLY A 10 21.451 5.823 -6.621 1.00 0.00 C ATOM 131 O GLY A 10 20.925 4.734 -6.484 1.00 0.00 O ATOM 0 H GLY A 10 23.928 6.029 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.415 7.057 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.031 5.439 -8.638 1.00 0.00 H new ATOM 135 N GLN A 11 21.564 6.705 -5.648 1.00 0.00 N ATOM 136 CA GLN A 11 21.252 6.495 -4.265 1.00 0.00 C ATOM 137 C GLN A 11 19.872 6.962 -4.034 1.00 0.00 C ATOM 138 O GLN A 11 19.621 8.149 -4.200 1.00 0.00 O ATOM 139 CB GLN A 11 22.177 7.380 -3.439 1.00 0.00 C ATOM 140 CG GLN A 11 23.044 6.651 -2.469 1.00 0.00 C ATOM 141 CD GLN A 11 22.289 6.027 -1.320 1.00 0.00 C ATOM 142 OE1 GLN A 11 21.297 6.707 -0.853 1.00 0.00 O flip ATOM 143 NE2 GLN A 11 22.655 4.975 -0.807 1.00 0.00 N flip ATOM 0 H GLN A 11 21.901 7.651 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 11 21.363 5.444 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 11 22.814 7.948 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 11 21.571 8.102 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 11 23.588 5.870 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 11 23.786 7.342 -2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 11 23.443 4.462 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 11 22.171 4.613 0.015 1.00 0.00 H new ATOM 152 N ALA A 12 18.999 6.081 -3.653 1.00 0.00 N ATOM 153 CA ALA A 12 17.632 6.452 -3.419 1.00 0.00 C ATOM 154 C ALA A 12 17.371 6.525 -1.925 1.00 0.00 C ATOM 155 O ALA A 12 17.475 5.526 -1.214 1.00 0.00 O ATOM 156 CB ALA A 12 16.665 5.500 -4.111 1.00 0.00 C ATOM 0 H ALA A 12 19.207 5.095 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 12 17.460 7.438 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.640 5.813 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.846 5.515 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.816 4.489 -3.732 1.00 0.00 H new ATOM 162 N TRP A 13 17.105 7.713 -1.462 1.00 0.00 N ATOM 163 CA TRP A 13 16.890 8.011 -0.060 1.00 0.00 C ATOM 164 C TRP A 13 16.230 9.345 0.035 1.00 0.00 C ATOM 165 O TRP A 13 16.291 10.083 -0.905 1.00 0.00 O ATOM 166 CB TRP A 13 18.239 8.051 0.700 1.00 0.00 C ATOM 167 CG TRP A 13 19.271 9.057 0.177 1.00 0.00 C ATOM 168 CD1 TRP A 13 19.466 9.461 -1.120 1.00 0.00 C ATOM 169 CD2 TRP A 13 20.273 9.731 0.946 1.00 0.00 C ATOM 170 NE1 TRP A 13 20.503 10.325 -1.192 1.00 0.00 N ATOM 171 CE2 TRP A 13 21.019 10.515 0.051 1.00 0.00 C ATOM 172 CE3 TRP A 13 20.610 9.754 2.306 1.00 0.00 C ATOM 173 CZ2 TRP A 13 22.077 11.302 0.453 1.00 0.00 C ATOM 174 CZ3 TRP A 13 21.668 10.549 2.710 1.00 0.00 C ATOM 175 CH2 TRP A 13 22.391 11.311 1.783 1.00 0.00 C ATOM 0 H TRP A 13 17.028 8.533 -2.064 1.00 0.00 H new ATOM 0 HA TRP A 13 16.266 7.237 0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.038 8.277 1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 13 18.682 7.055 0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 13 18.875 9.135 -1.963 1.00 0.00 H new ATOM 0 HE1 TRP A 13 20.845 10.766 -2.046 1.00 0.00 H new ATOM 0 HE3 TRP A 13 20.057 9.165 3.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 22.638 11.891 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 21.940 10.583 3.755 1.00 0.00 H new ATOM 0 HH2 TRP A 13 23.215 11.919 2.127 1.00 0.00 H new ATOM 186 N ARG A 14 15.562 9.614 1.132 1.00 0.00 N ATOM 187 CA ARG A 14 14.975 10.920 1.430 1.00 0.00 C ATOM 188 C ARG A 14 14.183 10.826 2.722 1.00 0.00 C ATOM 189 O ARG A 14 14.728 10.435 3.758 1.00 0.00 O ATOM 190 CB ARG A 14 14.134 11.594 0.298 1.00 0.00 C ATOM 191 CG ARG A 14 13.911 13.100 0.521 1.00 0.00 C ATOM 192 CD ARG A 14 12.870 13.709 -0.407 1.00 0.00 C ATOM 193 NE ARG A 14 13.216 13.637 -1.830 1.00 0.00 N ATOM 194 CZ ARG A 14 13.241 14.707 -2.665 1.00 0.00 C ATOM 195 NH1 ARG A 14 13.140 15.944 -2.187 1.00 0.00 N ATOM 196 NH2 ARG A 14 13.400 14.526 -3.963 1.00 0.00 N ATOM 0 H ARG A 14 15.402 8.923 1.865 1.00 0.00 H new ATOM 0 HA ARG A 14 15.824 11.596 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.638 11.446 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.167 11.097 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.604 13.264 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.858 13.623 0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.918 13.201 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.723 14.754 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 14 13.453 12.724 -2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.043 16.096 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.160 16.740 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.504 13.583 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.419 15.329 -4.591 1.00 0.00 H new ATOM 210 N HIS A 15 12.904 11.151 2.682 1.00 0.00 N ATOM 211 CA HIS A 15 12.131 11.263 3.894 1.00 0.00 C ATOM 212 C HIS A 15 10.833 10.513 3.803 1.00 0.00 C ATOM 213 O HIS A 15 10.237 10.380 2.716 1.00 0.00 O ATOM 214 CB HIS A 15 11.853 12.748 4.230 1.00 0.00 C ATOM 215 CG HIS A 15 13.036 13.507 4.767 1.00 0.00 C ATOM 216 ND1 HIS A 15 14.213 13.848 4.185 1.00 0.00 N flip ATOM 217 CD2 HIS A 15 13.093 14.011 6.039 1.00 0.00 C flip ATOM 218 CE1 HIS A 15 14.940 14.538 5.108 1.00 0.00 C flip ATOM 219 NE2 HIS A 15 14.243 14.622 6.216 1.00 0.00 N flip ATOM 0 H HIS A 15 12.385 11.340 1.825 1.00 0.00 H new ATOM 0 HA HIS A 15 12.724 10.817 4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.496 13.249 3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.047 12.795 4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.314 13.920 6.781 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.927 14.948 4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.544 15.085 7.074 1.00 0.00 H new ATOM 228 N HIS A 16 10.413 10.002 4.924 1.00 0.00 N ATOM 229 CA HIS A 16 9.115 9.402 5.046 1.00 0.00 C ATOM 230 C HIS A 16 8.213 10.602 5.151 1.00 0.00 C ATOM 231 O HIS A 16 8.592 11.594 5.771 1.00 0.00 O ATOM 232 CB HIS A 16 8.994 8.564 6.347 1.00 0.00 C ATOM 233 CG HIS A 16 10.151 7.634 6.657 1.00 0.00 C ATOM 234 ND1 HIS A 16 10.838 7.686 7.848 1.00 0.00 N ATOM 235 CD2 HIS A 16 10.730 6.637 5.949 1.00 0.00 C ATOM 236 CE1 HIS A 16 11.785 6.779 7.866 1.00 0.00 C ATOM 237 NE2 HIS A 16 11.749 6.125 6.731 1.00 0.00 N ATOM 0 H HIS A 16 10.963 9.989 5.783 1.00 0.00 H new ATOM 0 HA HIS A 16 8.888 8.726 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 16 8.872 9.250 7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.083 7.969 6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 16 10.450 6.304 4.961 1.00 0.00 H new ATOM 0 HE1 HIS A 16 12.476 6.602 8.677 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.372 5.362 6.467 1.00 0.00 H new ATOM 246 N ASN A 17 7.061 10.564 4.591 1.00 0.00 N ATOM 247 CA ASN A 17 6.231 11.741 4.598 1.00 0.00 C ATOM 248 C ASN A 17 4.907 11.467 5.293 1.00 0.00 C ATOM 249 O ASN A 17 4.513 10.306 5.487 1.00 0.00 O ATOM 250 CB ASN A 17 5.994 12.165 3.146 1.00 0.00 C ATOM 251 CG ASN A 17 5.700 13.631 2.989 1.00 0.00 C ATOM 252 OD1 ASN A 17 4.545 14.069 3.072 1.00 0.00 O ATOM 253 ND2 ASN A 17 6.742 14.396 2.738 1.00 0.00 N ATOM 0 H ASN A 17 6.663 9.749 4.124 1.00 0.00 H new ATOM 0 HA ASN A 17 6.729 12.540 5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.874 11.914 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.162 11.590 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.617 15.399 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.674 13.985 2.680 1.00 0.00 H new ATOM 260 N GLY A 18 4.225 12.532 5.643 1.00 0.00 N ATOM 261 CA GLY A 18 2.987 12.425 6.324 1.00 0.00 C ATOM 262 C GLY A 18 1.829 12.258 5.392 1.00 0.00 C ATOM 263 O GLY A 18 1.985 12.256 4.160 1.00 0.00 O ATOM 0 H GLY A 18 4.525 13.489 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.024 11.576 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.833 13.316 6.932 1.00 0.00 H new ATOM 267 N PHE A 19 0.681 12.146 5.960 1.00 0.00 N ATOM 268 CA PHE A 19 -0.527 11.928 5.233 1.00 0.00 C ATOM 269 C PHE A 19 -1.122 13.253 4.883 1.00 0.00 C ATOM 270 O PHE A 19 -1.247 14.124 5.745 1.00 0.00 O ATOM 271 CB PHE A 19 -1.541 11.170 6.101 1.00 0.00 C ATOM 272 CG PHE A 19 -1.074 9.831 6.602 1.00 0.00 C ATOM 273 CD1 PHE A 19 -0.354 9.721 7.791 1.00 0.00 C ATOM 274 CD2 PHE A 19 -1.366 8.682 5.896 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.059 8.489 8.247 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.955 7.452 6.352 1.00 0.00 C ATOM 277 CZ PHE A 19 -0.240 7.353 7.529 1.00 0.00 C ATOM 0 H PHE A 19 0.548 12.204 6.970 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.301 11.347 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.799 11.792 6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.455 11.027 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.118 10.609 8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.924 8.750 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.618 8.414 9.168 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.192 6.562 5.789 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.084 6.386 7.886 1.00 0.00 H new ATOM 287 N ASP A 20 -1.443 13.459 3.642 1.00 0.00 N ATOM 288 CA ASP A 20 -2.189 14.630 3.273 1.00 0.00 C ATOM 289 C ASP A 20 -3.625 14.273 3.394 1.00 0.00 C ATOM 290 O ASP A 20 -4.110 13.361 2.687 1.00 0.00 O ATOM 291 CB ASP A 20 -1.878 15.114 1.847 1.00 0.00 C ATOM 292 CG ASP A 20 -0.570 15.864 1.736 1.00 0.00 C ATOM 293 OD1 ASP A 20 -0.559 17.095 1.939 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.485 15.242 1.447 1.00 0.00 O ATOM 0 H ASP A 20 -1.203 12.838 2.870 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.915 15.456 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.852 14.254 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.688 15.759 1.506 1.00 0.00 H new ATOM 299 N PHE A 21 -4.305 14.955 4.294 1.00 0.00 N ATOM 300 CA PHE A 21 -5.679 14.662 4.619 1.00 0.00 C ATOM 301 C PHE A 21 -6.559 14.745 3.397 1.00 0.00 C ATOM 302 O PHE A 21 -7.436 13.954 3.260 1.00 0.00 O ATOM 303 CB PHE A 21 -6.199 15.572 5.736 1.00 0.00 C ATOM 304 CG PHE A 21 -7.487 15.097 6.336 1.00 0.00 C ATOM 305 CD1 PHE A 21 -7.498 13.996 7.176 1.00 0.00 C ATOM 306 CD2 PHE A 21 -8.681 15.742 6.061 1.00 0.00 C ATOM 307 CE1 PHE A 21 -8.670 13.547 7.728 1.00 0.00 C ATOM 308 CE2 PHE A 21 -9.860 15.296 6.614 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.857 14.198 7.447 1.00 0.00 C ATOM 0 H PHE A 21 -3.912 15.734 4.823 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.715 13.637 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.445 15.641 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.340 16.578 5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.573 13.485 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.687 16.602 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.666 12.687 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.787 15.806 6.395 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.782 13.846 7.880 1.00 0.00 H new ATOM 319 N ALA A 22 -6.264 15.685 2.506 1.00 0.00 N ATOM 320 CA ALA A 22 -6.970 15.866 1.236 1.00 0.00 C ATOM 321 C ALA A 22 -7.155 14.539 0.486 1.00 0.00 C ATOM 322 O ALA A 22 -8.259 14.224 0.030 1.00 0.00 O ATOM 323 CB ALA A 22 -6.193 16.838 0.369 1.00 0.00 C ATOM 0 H ALA A 22 -5.511 16.359 2.647 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.962 16.260 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.714 16.977 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.110 17.796 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.196 16.440 0.180 1.00 0.00 H new ATOM 329 N VAL A 23 -6.083 13.765 0.390 1.00 0.00 N ATOM 330 CA VAL A 23 -6.102 12.479 -0.304 1.00 0.00 C ATOM 331 C VAL A 23 -7.000 11.479 0.433 1.00 0.00 C ATOM 332 O VAL A 23 -7.925 10.895 -0.161 1.00 0.00 O ATOM 333 CB VAL A 23 -4.658 11.897 -0.436 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.657 10.569 -1.184 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.742 12.898 -1.133 1.00 0.00 C ATOM 0 H VAL A 23 -5.176 14.007 0.789 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.505 12.645 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.281 11.713 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.636 10.193 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.271 9.848 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.063 10.715 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.740 12.477 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.130 13.114 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.701 13.819 -0.552 1.00 0.00 H new ATOM 345 N ILE A 24 -6.703 11.284 1.712 1.00 0.00 N ATOM 346 CA ILE A 24 -7.478 10.357 2.581 1.00 0.00 C ATOM 347 C ILE A 24 -8.968 10.724 2.531 1.00 0.00 C ATOM 348 O ILE A 24 -9.835 9.866 2.426 1.00 0.00 O ATOM 349 CB ILE A 24 -7.027 10.457 4.068 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.512 10.311 4.224 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.760 9.434 4.939 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.953 8.989 3.754 1.00 0.00 C ATOM 0 H ILE A 24 -5.930 11.750 2.188 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.303 9.346 2.212 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.295 11.457 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.025 11.113 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.254 10.446 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.424 9.528 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.834 9.616 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.545 8.428 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.873 8.977 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.407 8.179 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.174 8.856 2.695 1.00 0.00 H new ATOM 364 N LYS A 25 -9.206 12.006 2.564 1.00 0.00 N ATOM 365 CA LYS A 25 -10.514 12.606 2.540 1.00 0.00 C ATOM 366 C LYS A 25 -11.220 12.245 1.245 1.00 0.00 C ATOM 367 O LYS A 25 -12.340 11.761 1.265 1.00 0.00 O ATOM 368 CB LYS A 25 -10.347 14.122 2.628 1.00 0.00 C ATOM 369 CG LYS A 25 -11.621 14.929 2.692 1.00 0.00 C ATOM 370 CD LYS A 25 -11.342 16.388 2.350 1.00 0.00 C ATOM 371 CE LYS A 25 -11.114 16.566 0.851 1.00 0.00 C ATOM 372 NZ LYS A 25 -10.939 17.971 0.477 1.00 0.00 N ATOM 0 H LYS A 25 -8.456 12.696 2.611 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.109 12.243 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.752 14.351 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.774 14.455 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.354 14.519 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.054 14.859 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.181 17.007 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.465 16.732 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.232 16.000 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.961 16.150 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.787 18.041 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.790 18.508 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.115 18.363 0.976 1.00 0.00 H new ATOM 386 N GLU A 26 -10.536 12.461 0.133 1.00 0.00 N ATOM 387 CA GLU A 26 -11.058 12.190 -1.204 1.00 0.00 C ATOM 388 C GLU A 26 -11.466 10.729 -1.320 1.00 0.00 C ATOM 389 O GLU A 26 -12.627 10.417 -1.661 1.00 0.00 O ATOM 390 CB GLU A 26 -9.989 12.533 -2.266 1.00 0.00 C ATOM 391 CG GLU A 26 -10.420 12.312 -3.717 1.00 0.00 C ATOM 392 CD GLU A 26 -11.645 13.108 -4.091 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.595 14.354 -4.071 1.00 0.00 O ATOM 394 OE2 GLU A 26 -12.684 12.507 -4.397 1.00 0.00 O ATOM 0 H GLU A 26 -9.587 12.835 0.130 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.937 12.812 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.700 13.577 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.101 11.932 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.599 12.584 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.619 11.252 -3.875 1.00 0.00 H new ATOM 401 N LEU A 27 -10.533 9.842 -1.006 1.00 0.00 N ATOM 402 CA LEU A 27 -10.803 8.428 -1.122 1.00 0.00 C ATOM 403 C LEU A 27 -11.917 8.002 -0.170 1.00 0.00 C ATOM 404 O LEU A 27 -12.775 7.259 -0.556 1.00 0.00 O ATOM 405 CB LEU A 27 -9.542 7.551 -0.942 1.00 0.00 C ATOM 406 CG LEU A 27 -9.734 6.055 -1.242 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.328 5.853 -2.610 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.409 5.325 -1.156 1.00 0.00 C ATOM 0 H LEU A 27 -9.598 10.077 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.142 8.262 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.756 7.937 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.189 7.657 0.084 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.419 5.651 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.454 4.787 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.298 6.348 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.663 6.278 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.562 4.267 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.714 5.746 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.997 5.436 -0.153 1.00 0.00 H new ATOM 420 N LYS A 28 -11.922 8.536 1.059 1.00 0.00 N ATOM 421 CA LYS A 28 -12.969 8.216 2.040 1.00 0.00 C ATOM 422 C LYS A 28 -14.337 8.712 1.547 1.00 0.00 C ATOM 423 O LYS A 28 -15.376 8.093 1.809 1.00 0.00 O ATOM 424 CB LYS A 28 -12.640 8.843 3.401 1.00 0.00 C ATOM 425 CG LYS A 28 -13.597 8.456 4.522 1.00 0.00 C ATOM 426 CD LYS A 28 -13.192 9.098 5.836 1.00 0.00 C ATOM 427 CE LYS A 28 -14.118 8.705 6.980 1.00 0.00 C ATOM 428 NZ LYS A 28 -14.083 7.252 7.259 1.00 0.00 N ATOM 0 H LYS A 28 -11.216 9.189 1.397 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.010 7.133 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.629 8.552 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.642 9.928 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.610 8.763 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.611 7.372 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.171 8.806 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.195 10.182 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.833 9.252 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.138 9.001 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.021 7.097 8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.949 6.807 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.254 6.829 6.794 1.00 0.00 H new ATOM 442 N THR A 29 -14.327 9.821 0.841 1.00 0.00 N ATOM 443 CA THR A 29 -15.532 10.368 0.269 1.00 0.00 C ATOM 444 C THR A 29 -16.112 9.379 -0.772 1.00 0.00 C ATOM 445 O THR A 29 -17.263 8.969 -0.673 1.00 0.00 O ATOM 446 CB THR A 29 -15.280 11.760 -0.372 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.746 12.663 0.616 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.573 12.346 -0.928 1.00 0.00 C ATOM 0 H THR A 29 -13.486 10.365 0.649 1.00 0.00 H new ATOM 0 HA THR A 29 -16.258 10.510 1.070 1.00 0.00 H new ATOM 0 HB THR A 29 -14.569 11.632 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.904 12.304 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.370 13.321 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.977 11.678 -1.689 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.298 12.458 -0.122 1.00 0.00 H new ATOM 456 N ALA A 30 -15.286 8.944 -1.723 1.00 0.00 N ATOM 457 CA ALA A 30 -15.704 7.993 -2.727 1.00 0.00 C ATOM 458 C ALA A 30 -16.010 6.640 -2.097 1.00 0.00 C ATOM 459 O ALA A 30 -16.839 5.914 -2.545 1.00 0.00 O ATOM 460 CB ALA A 30 -14.615 7.842 -3.760 1.00 0.00 C ATOM 0 H ALA A 30 -14.315 9.245 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.613 8.363 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.929 7.125 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.423 8.806 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.704 7.486 -3.279 1.00 0.00 H new ATOM 466 N ALA A 31 -15.340 6.337 -1.065 1.00 0.00 N ATOM 467 CA ALA A 31 -15.529 5.112 -0.339 1.00 0.00 C ATOM 468 C ALA A 31 -16.918 5.021 0.292 1.00 0.00 C ATOM 469 O ALA A 31 -17.546 3.956 0.279 1.00 0.00 O ATOM 470 CB ALA A 31 -14.497 5.062 0.732 1.00 0.00 C ATOM 0 H ALA A 31 -14.617 6.939 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.437 4.274 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.611 4.142 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.504 5.088 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.618 5.919 1.394 1.00 0.00 H new ATOM 476 N SER A 32 -17.403 6.119 0.813 1.00 0.00 N ATOM 477 CA SER A 32 -18.617 6.083 1.581 1.00 0.00 C ATOM 478 C SER A 32 -19.792 6.187 0.672 1.00 0.00 C ATOM 479 O SER A 32 -20.813 5.534 0.836 1.00 0.00 O ATOM 480 CB SER A 32 -18.588 7.193 2.635 1.00 0.00 C ATOM 481 OG SER A 32 -18.118 8.416 2.066 1.00 0.00 O ATOM 0 H SER A 32 -16.978 7.042 0.720 1.00 0.00 H new ATOM 0 HA SER A 32 -18.704 5.134 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.587 7.337 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.942 6.899 3.463 1.00 0.00 H new ATOM 0 HG SER A 32 -17.138 8.421 2.066 1.00 0.00 H new ATOM 487 N GLN A 33 -19.582 6.970 -0.304 1.00 0.00 N ATOM 488 CA GLN A 33 -20.542 7.366 -1.252 1.00 0.00 C ATOM 489 C GLN A 33 -20.614 6.420 -2.494 1.00 0.00 C ATOM 490 O GLN A 33 -21.694 5.962 -2.875 1.00 0.00 O ATOM 491 CB GLN A 33 -20.132 8.790 -1.598 1.00 0.00 C ATOM 492 CG GLN A 33 -20.588 9.326 -2.877 1.00 0.00 C ATOM 493 CD GLN A 33 -22.062 9.660 -2.914 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.902 8.827 -3.249 1.00 0.00 O ATOM 495 NE2 GLN A 33 -22.383 10.864 -2.566 1.00 0.00 N ATOM 0 H GLN A 33 -18.666 7.384 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.558 7.311 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -20.496 9.447 -0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.043 8.842 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.016 10.225 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.371 8.601 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.657 11.527 -2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.362 11.150 -2.563 1.00 0.00 H new ATOM 504 N TYR A 34 -19.478 6.103 -3.055 1.00 0.00 N ATOM 505 CA TYR A 34 -19.372 5.359 -4.308 1.00 0.00 C ATOM 506 C TYR A 34 -19.207 3.874 -4.053 1.00 0.00 C ATOM 507 O TYR A 34 -19.773 3.046 -4.765 1.00 0.00 O ATOM 508 CB TYR A 34 -18.201 5.956 -5.146 1.00 0.00 C ATOM 509 CG TYR A 34 -18.581 7.187 -5.922 1.00 0.00 C ATOM 510 CD1 TYR A 34 -18.512 8.440 -5.342 1.00 0.00 C ATOM 511 CD2 TYR A 34 -19.031 7.090 -7.225 1.00 0.00 C ATOM 512 CE1 TYR A 34 -18.882 9.562 -6.032 1.00 0.00 C ATOM 513 CE2 TYR A 34 -19.401 8.209 -7.929 1.00 0.00 C ATOM 514 CZ TYR A 34 -19.326 9.442 -7.329 1.00 0.00 C ATOM 515 OH TYR A 34 -19.702 10.563 -8.021 1.00 0.00 O ATOM 0 H TYR A 34 -18.574 6.354 -2.655 1.00 0.00 H new ATOM 0 HA TYR A 34 -20.294 5.462 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.374 6.199 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.838 5.197 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -18.160 8.535 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -19.092 6.120 -7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.826 10.533 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -19.749 8.120 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 34 -19.990 10.310 -8.923 1.00 0.00 H new ATOM 525 N GLY A 35 -18.493 3.539 -3.005 1.00 0.00 N ATOM 526 CA GLY A 35 -18.254 2.159 -2.679 1.00 0.00 C ATOM 527 C GLY A 35 -17.102 1.600 -3.458 1.00 0.00 C ATOM 528 O GLY A 35 -16.836 2.035 -4.585 1.00 0.00 O ATOM 0 H GLY A 35 -18.067 4.208 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -18.052 2.066 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -19.151 1.575 -2.885 1.00 0.00 H new ATOM 532 N ALA A 36 -16.457 0.595 -2.916 1.00 0.00 N ATOM 533 CA ALA A 36 -15.257 0.087 -3.514 1.00 0.00 C ATOM 534 C ALA A 36 -15.606 -0.937 -4.578 1.00 0.00 C ATOM 535 O ALA A 36 -15.623 -2.126 -4.334 1.00 0.00 O ATOM 536 CB ALA A 36 -14.343 -0.488 -2.462 1.00 0.00 C ATOM 0 H ALA A 36 -16.747 0.117 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.721 0.904 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.438 -0.869 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.079 0.290 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.851 -1.301 -1.944 1.00 0.00 H new ATOM 542 N THR A 37 -15.823 -0.444 -5.764 1.00 0.00 N ATOM 543 CA THR A 37 -16.295 -1.210 -6.904 1.00 0.00 C ATOM 544 C THR A 37 -16.561 -0.235 -8.028 1.00 0.00 C ATOM 545 O THR A 37 -16.353 -0.556 -9.198 1.00 0.00 O ATOM 546 CB THR A 37 -17.569 -2.084 -6.608 1.00 0.00 C ATOM 547 OG1 THR A 37 -17.915 -2.902 -7.742 1.00 0.00 O ATOM 548 CG2 THR A 37 -18.761 -1.231 -6.232 1.00 0.00 C ATOM 0 H THR A 37 -15.673 0.541 -5.982 1.00 0.00 H new ATOM 0 HA THR A 37 -15.523 -1.931 -7.172 1.00 0.00 H new ATOM 0 HB THR A 37 -17.316 -2.725 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.709 -3.436 -7.530 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.620 -1.873 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.527 -0.653 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 37 -18.995 -0.552 -7.052 1.00 0.00 H new ATOM 556 N ALA A 38 -16.975 0.986 -7.660 1.00 0.00 N ATOM 557 CA ALA A 38 -17.160 2.038 -8.620 1.00 0.00 C ATOM 558 C ALA A 38 -15.787 2.491 -9.071 1.00 0.00 C ATOM 559 O ALA A 38 -14.954 2.845 -8.206 1.00 0.00 O ATOM 560 CB ALA A 38 -17.935 3.197 -8.002 1.00 0.00 C ATOM 0 H ALA A 38 -17.184 1.251 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.739 1.680 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.065 3.984 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.912 2.846 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.382 3.591 -7.149 1.00 0.00 H new ATOM 566 N PRO A 39 -15.514 2.451 -10.406 1.00 0.00 N ATOM 567 CA PRO A 39 -14.212 2.784 -11.011 1.00 0.00 C ATOM 568 C PRO A 39 -13.502 3.958 -10.367 1.00 0.00 C ATOM 569 O PRO A 39 -12.298 3.889 -10.116 1.00 0.00 O ATOM 570 CB PRO A 39 -14.590 3.131 -12.433 1.00 0.00 C ATOM 571 CG PRO A 39 -15.708 2.218 -12.740 1.00 0.00 C ATOM 572 CD PRO A 39 -16.482 2.052 -11.455 1.00 0.00 C ATOM 0 HA PRO A 39 -13.508 1.960 -10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.891 4.175 -12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.754 2.981 -13.116 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.342 2.629 -13.526 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.339 1.257 -13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.371 2.682 -11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.817 1.024 -11.320 1.00 0.00 H new ATOM 580 N TYR A 40 -14.259 5.003 -10.068 1.00 0.00 N ATOM 581 CA TYR A 40 -13.732 6.212 -9.490 1.00 0.00 C ATOM 582 C TYR A 40 -12.863 5.938 -8.248 1.00 0.00 C ATOM 583 O TYR A 40 -11.676 6.272 -8.239 1.00 0.00 O ATOM 584 CB TYR A 40 -14.870 7.184 -9.148 1.00 0.00 C ATOM 585 CG TYR A 40 -14.390 8.504 -8.569 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.763 9.449 -9.373 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.557 8.803 -7.220 1.00 0.00 C ATOM 588 CE1 TYR A 40 -13.316 10.651 -8.853 1.00 0.00 C ATOM 589 CE2 TYR A 40 -14.110 10.003 -6.690 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.487 10.921 -7.509 1.00 0.00 C ATOM 591 OH TYR A 40 -13.062 12.142 -6.988 1.00 0.00 O ATOM 0 H TYR A 40 -15.267 5.027 -10.225 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.085 6.670 -10.238 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.450 7.382 -10.049 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.542 6.707 -8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.622 9.241 -10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.044 8.087 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.836 11.375 -9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.249 10.218 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.256 12.173 -6.028 1.00 0.00 H new ATOM 601 N THR A 41 -13.431 5.292 -7.211 1.00 0.00 N ATOM 602 CA THR A 41 -12.747 5.113 -5.954 1.00 0.00 C ATOM 603 C THR A 41 -11.518 4.203 -6.072 1.00 0.00 C ATOM 604 O THR A 41 -10.493 4.481 -5.463 1.00 0.00 O ATOM 605 CB THR A 41 -13.720 4.628 -4.830 1.00 0.00 C ATOM 606 OG1 THR A 41 -13.120 4.764 -3.543 1.00 0.00 O ATOM 607 CG2 THR A 41 -14.107 3.190 -5.023 1.00 0.00 C ATOM 0 H THR A 41 -14.368 4.890 -7.238 1.00 0.00 H new ATOM 0 HA THR A 41 -12.375 6.096 -5.664 1.00 0.00 H new ATOM 0 HB THR A 41 -14.610 5.254 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.747 4.456 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.784 2.885 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.605 3.073 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.213 2.566 -4.999 1.00 0.00 H new ATOM 615 N LEU A 42 -11.584 3.151 -6.866 1.00 0.00 N ATOM 616 CA LEU A 42 -10.429 2.313 -6.978 1.00 0.00 C ATOM 617 C LEU A 42 -9.371 2.877 -7.878 1.00 0.00 C ATOM 618 O LEU A 42 -8.226 2.543 -7.734 1.00 0.00 O ATOM 619 CB LEU A 42 -10.650 0.768 -7.088 1.00 0.00 C ATOM 620 CG LEU A 42 -11.721 0.192 -8.023 1.00 0.00 C ATOM 621 CD1 LEU A 42 -13.094 0.372 -7.440 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.637 0.754 -9.431 1.00 0.00 C ATOM 0 H LEU A 42 -12.395 2.872 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.016 2.357 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.697 0.329 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.872 0.404 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.523 -0.876 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.836 -0.044 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.152 -0.143 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.291 1.434 -7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.419 0.310 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.770 1.835 -9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.662 0.520 -9.858 1.00 0.00 H new ATOM 634 N ALA A 43 -9.759 3.783 -8.784 1.00 0.00 N ATOM 635 CA ALA A 43 -8.785 4.519 -9.592 1.00 0.00 C ATOM 636 C ALA A 43 -7.934 5.362 -8.672 1.00 0.00 C ATOM 637 O ALA A 43 -6.734 5.554 -8.885 1.00 0.00 O ATOM 638 CB ALA A 43 -9.470 5.386 -10.641 1.00 0.00 C ATOM 0 H ALA A 43 -10.733 4.021 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.157 3.808 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.716 5.918 -11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.061 4.755 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.123 6.106 -10.148 1.00 0.00 H new ATOM 644 N ILE A 44 -8.559 5.823 -7.626 1.00 0.00 N ATOM 645 CA ILE A 44 -7.887 6.555 -6.591 1.00 0.00 C ATOM 646 C ILE A 44 -6.986 5.594 -5.783 1.00 0.00 C ATOM 647 O ILE A 44 -5.851 5.923 -5.512 1.00 0.00 O ATOM 648 CB ILE A 44 -8.908 7.254 -5.686 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.792 8.156 -6.538 1.00 0.00 C ATOM 650 CG2 ILE A 44 -8.201 8.079 -4.609 1.00 0.00 C ATOM 651 CD1 ILE A 44 -11.000 8.667 -5.820 1.00 0.00 C ATOM 0 H ILE A 44 -9.559 5.700 -7.467 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.259 7.326 -7.038 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.519 6.501 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.202 9.004 -6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.112 7.605 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.944 8.567 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.580 7.424 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.575 8.835 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.580 9.302 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.613 7.826 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.689 9.246 -4.951 1.00 0.00 H new ATOM 663 N VAL A 45 -7.505 4.384 -5.444 1.00 0.00 N ATOM 664 CA VAL A 45 -6.706 3.324 -4.744 1.00 0.00 C ATOM 665 C VAL A 45 -5.413 3.043 -5.558 1.00 0.00 C ATOM 666 O VAL A 45 -4.284 3.087 -5.018 1.00 0.00 O ATOM 667 CB VAL A 45 -7.542 1.974 -4.535 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.721 0.867 -3.895 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.772 2.201 -3.670 1.00 0.00 C ATOM 0 H VAL A 45 -8.468 4.112 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.449 3.691 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.838 1.666 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.339 -0.023 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.866 0.634 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.368 1.195 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.312 1.262 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.465 2.569 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.421 2.935 -4.146 1.00 0.00 H new ATOM 679 N GLU A 46 -5.602 2.845 -6.862 1.00 0.00 N ATOM 680 CA GLU A 46 -4.528 2.657 -7.844 1.00 0.00 C ATOM 681 C GLU A 46 -3.523 3.813 -7.772 1.00 0.00 C ATOM 682 O GLU A 46 -2.317 3.605 -7.595 1.00 0.00 O ATOM 683 CB GLU A 46 -5.142 2.630 -9.260 1.00 0.00 C ATOM 684 CG GLU A 46 -6.061 1.445 -9.560 1.00 0.00 C ATOM 685 CD GLU A 46 -5.352 0.290 -10.218 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.632 -0.467 -9.534 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.519 0.100 -11.435 1.00 0.00 O ATOM 0 H GLU A 46 -6.532 2.809 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.014 1.721 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.706 3.551 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.331 2.631 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.514 1.101 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.873 1.779 -10.206 1.00 0.00 H new ATOM 694 N SER A 47 -4.038 5.035 -7.865 1.00 0.00 N ATOM 695 CA SER A 47 -3.226 6.233 -7.925 1.00 0.00 C ATOM 696 C SER A 47 -2.502 6.557 -6.598 1.00 0.00 C ATOM 697 O SER A 47 -1.404 7.114 -6.619 1.00 0.00 O ATOM 698 CB SER A 47 -4.085 7.408 -8.398 1.00 0.00 C ATOM 699 OG SER A 47 -4.688 7.105 -9.666 1.00 0.00 O ATOM 0 H SER A 47 -5.041 5.217 -7.901 1.00 0.00 H new ATOM 0 HA SER A 47 -2.429 6.050 -8.645 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.859 7.621 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.471 8.305 -8.484 1.00 0.00 H new ATOM 0 HG SER A 47 -5.597 6.768 -9.524 1.00 0.00 H new ATOM 705 N VAL A 48 -3.089 6.216 -5.458 1.00 0.00 N ATOM 706 CA VAL A 48 -2.437 6.480 -4.194 1.00 0.00 C ATOM 707 C VAL A 48 -1.249 5.549 -4.005 1.00 0.00 C ATOM 708 O VAL A 48 -0.223 5.951 -3.496 1.00 0.00 O ATOM 709 CB VAL A 48 -3.396 6.376 -2.980 1.00 0.00 C ATOM 710 CG1 VAL A 48 -2.642 6.636 -1.693 1.00 0.00 C ATOM 711 CG2 VAL A 48 -4.539 7.363 -3.114 1.00 0.00 C ATOM 0 H VAL A 48 -4.000 5.764 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.091 7.513 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.807 5.367 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.327 6.560 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.846 5.899 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.209 7.636 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.200 7.273 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.141 8.377 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.099 7.150 -4.024 1.00 0.00 H new ATOM 721 N ALA A 49 -1.360 4.327 -4.484 1.00 0.00 N ATOM 722 CA ALA A 49 -0.255 3.400 -4.320 1.00 0.00 C ATOM 723 C ALA A 49 0.809 3.618 -5.371 1.00 0.00 C ATOM 724 O ALA A 49 1.835 2.991 -5.338 1.00 0.00 O ATOM 725 CB ALA A 49 -0.711 1.941 -4.240 1.00 0.00 C ATOM 0 H ALA A 49 -2.175 3.959 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 49 0.199 3.618 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.158 1.294 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.380 1.815 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.236 1.673 -5.157 1.00 0.00 H new ATOM 731 N ASP A 50 0.581 4.591 -6.258 1.00 0.00 N ATOM 732 CA ASP A 50 1.557 4.939 -7.294 1.00 0.00 C ATOM 733 C ASP A 50 2.757 5.575 -6.637 1.00 0.00 C ATOM 734 O ASP A 50 3.854 5.594 -7.181 1.00 0.00 O ATOM 735 CB ASP A 50 0.954 5.909 -8.313 1.00 0.00 C ATOM 736 CG ASP A 50 1.916 6.280 -9.415 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.104 5.464 -10.351 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.472 7.405 -9.396 1.00 0.00 O ATOM 0 H ASP A 50 -0.271 5.151 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 50 1.850 4.032 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.064 5.459 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.633 6.815 -7.798 1.00 0.00 H new ATOM 743 N ASN A 51 2.552 6.060 -5.439 1.00 0.00 N ATOM 744 CA ASN A 51 3.595 6.633 -4.689 1.00 0.00 C ATOM 745 C ASN A 51 3.878 5.720 -3.529 1.00 0.00 C ATOM 746 O ASN A 51 3.055 4.879 -3.198 1.00 0.00 O ATOM 747 CB ASN A 51 3.300 8.092 -4.281 1.00 0.00 C ATOM 748 CG ASN A 51 2.110 8.299 -3.371 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.233 8.306 -2.155 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.957 8.502 -3.960 1.00 0.00 N ATOM 0 H ASN A 51 1.646 6.060 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 51 4.495 6.717 -5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.184 8.496 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.145 8.677 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.122 8.674 -3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.895 8.488 -4.978 1.00 0.00 H new ATOM 757 N TRP A 52 5.000 5.882 -2.922 1.00 0.00 N ATOM 758 CA TRP A 52 5.495 4.929 -1.968 1.00 0.00 C ATOM 759 C TRP A 52 4.773 5.008 -0.661 1.00 0.00 C ATOM 760 O TRP A 52 4.681 6.063 -0.067 1.00 0.00 O ATOM 761 CB TRP A 52 6.990 5.123 -1.760 1.00 0.00 C ATOM 762 CG TRP A 52 7.761 4.993 -3.035 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.081 3.846 -3.670 1.00 0.00 C ATOM 764 CD2 TRP A 52 8.306 6.058 -3.833 1.00 0.00 C ATOM 765 NE1 TRP A 52 8.764 4.115 -4.822 1.00 0.00 N ATOM 766 CE2 TRP A 52 8.929 5.463 -4.941 1.00 0.00 C ATOM 767 CE3 TRP A 52 8.321 7.444 -3.719 1.00 0.00 C ATOM 768 CZ2 TRP A 52 9.563 6.203 -5.925 1.00 0.00 C ATOM 769 CZ3 TRP A 52 8.950 8.179 -4.688 1.00 0.00 C ATOM 770 CH2 TRP A 52 9.560 7.560 -5.779 1.00 0.00 C ATOM 0 H TRP A 52 5.613 6.684 -3.069 1.00 0.00 H new ATOM 0 HA TRP A 52 5.313 3.935 -2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.170 6.107 -1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 52 7.353 4.388 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.832 2.856 -3.317 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.098 3.418 -5.488 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.845 7.932 -2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.039 5.728 -6.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.974 9.256 -4.606 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.043 8.171 -6.528 1.00 0.00 H new ATOM 781 N LEU A 53 4.292 3.885 -0.212 1.00 0.00 N ATOM 782 CA LEU A 53 3.608 3.760 1.054 1.00 0.00 C ATOM 783 C LEU A 53 4.198 2.609 1.851 1.00 0.00 C ATOM 784 O LEU A 53 4.500 1.549 1.313 1.00 0.00 O ATOM 785 CB LEU A 53 2.080 3.573 0.882 1.00 0.00 C ATOM 786 CG LEU A 53 1.176 4.843 0.787 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.514 5.708 -0.380 1.00 0.00 C ATOM 788 CD2 LEU A 53 -0.264 4.456 0.681 1.00 0.00 C ATOM 0 H LEU A 53 4.363 3.006 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 53 3.755 4.692 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.918 2.984 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.723 2.975 1.721 1.00 0.00 H new ATOM 0 HG LEU A 53 1.358 5.410 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.853 6.575 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.548 6.042 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.388 5.141 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.878 5.354 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.413 3.849 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.552 3.882 1.562 1.00 0.00 H new ATOM 800 N THR A 54 4.375 2.843 3.113 1.00 0.00 N ATOM 801 CA THR A 54 4.933 1.876 4.040 1.00 0.00 C ATOM 802 C THR A 54 3.780 1.016 4.623 1.00 0.00 C ATOM 803 O THR A 54 2.684 1.474 4.642 1.00 0.00 O ATOM 804 CB THR A 54 5.611 2.682 5.169 1.00 0.00 C ATOM 805 OG1 THR A 54 6.502 3.633 4.578 1.00 0.00 O ATOM 806 CG2 THR A 54 6.382 1.795 6.119 1.00 0.00 C ATOM 0 H THR A 54 4.133 3.732 3.551 1.00 0.00 H new ATOM 0 HA THR A 54 5.650 1.215 3.553 1.00 0.00 H new ATOM 0 HB THR A 54 4.833 3.180 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.939 4.154 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.841 2.406 6.896 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.703 1.076 6.577 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.159 1.262 5.570 1.00 0.00 H new ATOM 814 N PRO A 55 4.006 -0.261 5.033 1.00 0.00 N ATOM 815 CA PRO A 55 2.973 -1.097 5.687 1.00 0.00 C ATOM 816 C PRO A 55 2.039 -0.345 6.710 1.00 0.00 C ATOM 817 O PRO A 55 0.808 -0.412 6.583 1.00 0.00 O ATOM 818 CB PRO A 55 3.810 -2.154 6.382 1.00 0.00 C ATOM 819 CG PRO A 55 4.949 -2.387 5.442 1.00 0.00 C ATOM 820 CD PRO A 55 5.238 -1.052 4.786 1.00 0.00 C ATOM 0 HA PRO A 55 2.255 -1.474 4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.160 -1.810 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.239 -3.067 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.825 -2.756 5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.690 -3.139 4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.115 -0.573 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.434 -1.164 3.720 1.00 0.00 H new ATOM 828 N THR A 56 2.618 0.375 7.691 1.00 0.00 N ATOM 829 CA THR A 56 1.810 1.117 8.689 1.00 0.00 C ATOM 830 C THR A 56 1.085 2.332 8.054 1.00 0.00 C ATOM 831 O THR A 56 -0.008 2.722 8.474 1.00 0.00 O ATOM 832 CB THR A 56 2.663 1.552 9.940 1.00 0.00 C ATOM 833 OG1 THR A 56 1.851 2.275 10.892 1.00 0.00 O ATOM 834 CG2 THR A 56 3.868 2.404 9.541 1.00 0.00 C ATOM 0 H THR A 56 3.627 0.461 7.816 1.00 0.00 H new ATOM 0 HA THR A 56 1.046 0.426 9.045 1.00 0.00 H new ATOM 0 HB THR A 56 3.032 0.637 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.401 2.534 11.661 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.428 2.682 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.512 1.833 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.524 3.305 9.033 1.00 0.00 H new ATOM 842 N ASP A 57 1.668 2.844 6.993 1.00 0.00 N ATOM 843 CA ASP A 57 1.176 3.970 6.227 1.00 0.00 C ATOM 844 C ASP A 57 -0.048 3.517 5.439 1.00 0.00 C ATOM 845 O ASP A 57 -1.117 4.139 5.490 1.00 0.00 O ATOM 846 CB ASP A 57 2.362 4.363 5.361 1.00 0.00 C ATOM 847 CG ASP A 57 2.217 5.507 4.437 1.00 0.00 C ATOM 848 OD1 ASP A 57 1.377 6.372 4.637 1.00 0.00 O ATOM 849 OD2 ASP A 57 3.056 5.594 3.516 1.00 0.00 O ATOM 0 H ASP A 57 2.541 2.469 6.622 1.00 0.00 H new ATOM 0 HA ASP A 57 0.843 4.827 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.199 4.578 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.641 3.492 4.768 1.00 0.00 H new ATOM 854 N TRP A 58 0.106 2.363 4.820 1.00 0.00 N ATOM 855 CA TRP A 58 -0.950 1.680 4.149 1.00 0.00 C ATOM 856 C TRP A 58 -2.088 1.384 5.121 1.00 0.00 C ATOM 857 O TRP A 58 -3.243 1.727 4.856 1.00 0.00 O ATOM 858 CB TRP A 58 -0.441 0.360 3.522 1.00 0.00 C ATOM 859 CG TRP A 58 -0.034 0.440 2.062 1.00 0.00 C ATOM 860 CD1 TRP A 58 -0.659 1.144 1.082 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.021 -0.290 1.401 1.00 0.00 C ATOM 862 NE1 TRP A 58 -0.041 0.933 -0.115 1.00 0.00 N ATOM 863 CE2 TRP A 58 0.976 0.070 0.045 1.00 0.00 C ATOM 864 CE3 TRP A 58 2.007 -1.194 1.818 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.850 -0.427 -0.899 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.881 -1.694 0.864 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.786 -1.301 -0.486 1.00 0.00 C ATOM 0 H TRP A 58 0.999 1.872 4.777 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.318 2.325 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.414 0.011 4.100 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.222 -0.393 3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.520 1.779 1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.310 1.365 -0.999 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.084 -1.493 2.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.785 -0.125 -1.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.647 -2.396 1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.480 -1.710 -1.205 1.00 0.00 H new ATOM 878 N ASN A 59 -1.759 0.778 6.255 1.00 0.00 N ATOM 879 CA ASN A 59 -2.772 0.401 7.256 1.00 0.00 C ATOM 880 C ASN A 59 -3.622 1.582 7.700 1.00 0.00 C ATOM 881 O ASN A 59 -4.824 1.459 7.838 1.00 0.00 O ATOM 882 CB ASN A 59 -2.155 -0.311 8.471 1.00 0.00 C ATOM 883 CG ASN A 59 -1.727 -1.737 8.168 1.00 0.00 C ATOM 884 OD1 ASN A 59 -2.330 -2.419 7.322 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.704 -2.206 8.846 1.00 0.00 N ATOM 0 H ASN A 59 -0.803 0.534 6.512 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.432 -0.307 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.291 0.256 8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.878 -0.320 9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.380 -3.160 8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.234 -1.616 9.533 1.00 0.00 H new ATOM 892 N THR A 60 -2.990 2.728 7.795 1.00 0.00 N ATOM 893 CA THR A 60 -3.684 3.914 8.224 1.00 0.00 C ATOM 894 C THR A 60 -4.678 4.380 7.128 1.00 0.00 C ATOM 895 O THR A 60 -5.863 4.707 7.406 1.00 0.00 O ATOM 896 CB THR A 60 -2.681 5.031 8.561 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.697 4.521 9.499 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.400 6.202 9.200 1.00 0.00 C ATOM 0 H THR A 60 -2.002 2.862 7.582 1.00 0.00 H new ATOM 0 HA THR A 60 -4.250 3.681 9.126 1.00 0.00 H new ATOM 0 HB THR A 60 -2.195 5.361 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.063 3.943 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.681 6.987 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.148 6.590 8.509 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.889 5.872 10.117 1.00 0.00 H new ATOM 906 N LEU A 61 -4.230 4.326 5.898 1.00 0.00 N ATOM 907 CA LEU A 61 -5.025 4.780 4.799 1.00 0.00 C ATOM 908 C LEU A 61 -6.265 3.914 4.600 1.00 0.00 C ATOM 909 O LEU A 61 -7.367 4.440 4.616 1.00 0.00 O ATOM 910 CB LEU A 61 -4.169 4.924 3.536 1.00 0.00 C ATOM 911 CG LEU A 61 -4.807 5.671 2.358 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.737 6.349 1.546 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.540 4.723 1.447 1.00 0.00 C ATOM 0 H LEU A 61 -3.311 3.968 5.638 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.404 5.775 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.246 5.438 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.891 3.926 3.197 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.506 6.399 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.195 6.878 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.199 7.059 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.041 5.602 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.982 5.281 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.842 3.984 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.327 4.217 2.006 1.00 0.00 H new ATOM 925 N VAL A 62 -6.079 2.596 4.497 1.00 0.00 N ATOM 926 CA VAL A 62 -7.202 1.653 4.284 1.00 0.00 C ATOM 927 C VAL A 62 -8.278 1.775 5.375 1.00 0.00 C ATOM 928 O VAL A 62 -9.474 1.931 5.087 1.00 0.00 O ATOM 929 CB VAL A 62 -6.703 0.161 4.163 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.806 -0.222 5.318 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.865 -0.810 4.095 1.00 0.00 C ATOM 0 H VAL A 62 -5.164 2.148 4.556 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.659 1.934 3.335 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.133 0.101 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.482 -1.256 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.934 0.432 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.354 -0.118 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.484 -1.828 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.467 -0.720 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.480 -0.581 3.225 1.00 0.00 H new ATOM 941 N ARG A 63 -7.816 1.779 6.603 1.00 0.00 N ATOM 942 CA ARG A 63 -8.702 1.792 7.789 1.00 0.00 C ATOM 943 C ARG A 63 -9.456 3.113 7.968 1.00 0.00 C ATOM 944 O ARG A 63 -10.458 3.165 8.702 1.00 0.00 O ATOM 945 CB ARG A 63 -7.933 1.470 9.056 1.00 0.00 C ATOM 946 CG ARG A 63 -7.063 2.602 9.538 1.00 0.00 C ATOM 947 CD ARG A 63 -6.223 2.198 10.708 1.00 0.00 C ATOM 948 NE ARG A 63 -5.451 3.335 11.231 1.00 0.00 N ATOM 949 CZ ARG A 63 -4.272 3.242 11.870 1.00 0.00 C ATOM 950 NH1 ARG A 63 -3.730 2.045 12.128 1.00 0.00 N ATOM 951 NH2 ARG A 63 -3.650 4.349 12.257 1.00 0.00 N ATOM 0 H ARG A 63 -6.821 1.774 6.829 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.444 1.015 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.640 1.206 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.310 0.593 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.418 2.936 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.690 3.449 9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.861 1.797 11.495 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.543 1.400 10.411 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.841 4.268 11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.212 1.194 11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.835 1.984 12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.067 5.261 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.755 4.288 12.742 1.00 0.00 H new ATOM 965 N ALA A 64 -8.976 4.170 7.353 1.00 0.00 N ATOM 966 CA ALA A 64 -9.655 5.445 7.457 1.00 0.00 C ATOM 967 C ALA A 64 -10.589 5.633 6.271 1.00 0.00 C ATOM 968 O ALA A 64 -11.755 6.032 6.429 1.00 0.00 O ATOM 969 CB ALA A 64 -8.645 6.590 7.527 1.00 0.00 C ATOM 0 H ALA A 64 -8.130 4.176 6.783 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.243 5.454 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.176 7.539 7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.006 6.459 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.032 6.590 6.626 1.00 0.00 H new ATOM 975 N VAL A 65 -10.047 5.395 5.115 1.00 0.00 N ATOM 976 CA VAL A 65 -10.811 5.571 3.886 1.00 0.00 C ATOM 977 C VAL A 65 -12.083 4.706 3.824 1.00 0.00 C ATOM 978 O VAL A 65 -13.154 5.215 3.507 1.00 0.00 O ATOM 979 CB VAL A 65 -9.989 5.486 2.581 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.888 6.532 2.584 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.433 4.093 2.346 1.00 0.00 C ATOM 0 H VAL A 65 -9.086 5.080 4.982 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.135 6.610 3.945 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.661 5.695 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.316 6.461 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.330 7.525 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.226 6.361 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.862 4.081 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.782 3.816 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.255 3.380 2.276 1.00 0.00 H new ATOM 991 N LEU A 66 -11.998 3.455 4.201 1.00 0.00 N ATOM 992 CA LEU A 66 -13.163 2.620 4.204 1.00 0.00 C ATOM 993 C LEU A 66 -13.409 2.059 5.569 1.00 0.00 C ATOM 994 O LEU A 66 -12.627 2.292 6.499 1.00 0.00 O ATOM 995 CB LEU A 66 -13.183 1.557 3.078 1.00 0.00 C ATOM 996 CG LEU A 66 -14.007 1.960 1.839 1.00 0.00 C ATOM 997 CD1 LEU A 66 -13.837 1.006 0.697 1.00 0.00 C ATOM 998 CD2 LEU A 66 -15.481 2.071 2.206 1.00 0.00 C ATOM 0 H LEU A 66 -11.139 2.999 4.507 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.011 3.259 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.158 1.354 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.584 0.627 3.480 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.632 2.928 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.440 1.339 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.788 0.973 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.160 0.011 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.055 2.356 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.837 1.109 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.607 2.827 2.981 1.00 0.00 H new ATOM 1010 N SER A 67 -14.502 1.387 5.735 1.00 0.00 N ATOM 1011 CA SER A 67 -14.857 0.906 7.036 1.00 0.00 C ATOM 1012 C SER A 67 -15.522 -0.455 6.980 1.00 0.00 C ATOM 1013 O SER A 67 -16.555 -0.630 6.327 1.00 0.00 O ATOM 1014 CB SER A 67 -15.731 1.940 7.738 1.00 0.00 C ATOM 1015 OG SER A 67 -15.036 3.190 7.829 1.00 0.00 O ATOM 0 H SER A 67 -15.163 1.158 4.992 1.00 0.00 H new ATOM 0 HA SER A 67 -13.944 0.767 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.664 2.072 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.995 1.588 8.735 1.00 0.00 H new ATOM 0 HG SER A 67 -15.605 3.849 8.280 1.00 0.00 H new ATOM 1021 N GLY A 68 -14.869 -1.434 7.573 1.00 0.00 N ATOM 1022 CA GLY A 68 -15.428 -2.749 7.699 1.00 0.00 C ATOM 1023 C GLY A 68 -15.056 -3.635 6.536 1.00 0.00 C ATOM 1024 O GLY A 68 -14.230 -4.555 6.666 1.00 0.00 O ATOM 0 H GLY A 68 -13.938 -1.333 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.080 -3.203 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.513 -2.677 7.767 1.00 0.00 H new ATOM 1028 N GLY A 69 -15.650 -3.327 5.390 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.432 -4.085 4.181 1.00 0.00 C ATOM 1030 C GLY A 69 -13.983 -4.073 3.752 1.00 0.00 C ATOM 1031 O GLY A 69 -13.470 -5.075 3.249 1.00 0.00 O ATOM 0 H GLY A 69 -16.295 -2.544 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.754 -5.115 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.049 -3.675 3.381 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.329 -2.928 3.958 1.00 0.00 N ATOM 1036 CA ASP A 70 -11.921 -2.714 3.594 1.00 0.00 C ATOM 1037 C ASP A 70 -11.064 -3.828 4.140 1.00 0.00 C ATOM 1038 O ASP A 70 -10.350 -4.495 3.401 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.406 -1.343 4.119 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.362 -1.222 5.653 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.423 -1.076 6.272 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.284 -1.318 6.248 1.00 0.00 O ATOM 0 H ASP A 70 -13.765 -2.112 4.387 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.854 -2.710 2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.405 -1.170 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.045 -0.554 3.723 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.244 -4.081 5.408 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.510 -5.054 6.141 1.00 0.00 C ATOM 1049 C HIS A 71 -10.691 -6.409 5.473 1.00 0.00 C ATOM 1050 O HIS A 71 -9.729 -6.994 4.963 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.058 -5.076 7.573 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.171 -5.708 8.601 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -9.368 -4.964 9.432 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -10.014 -6.990 8.986 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.766 -5.753 10.282 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -9.140 -6.984 10.033 1.00 0.00 N ATOM 0 H HIS A 71 -11.936 -3.590 5.974 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.446 -4.817 6.163 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.263 -4.050 7.879 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.011 -5.604 7.569 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.489 -7.856 8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.079 -5.444 11.056 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.826 -7.810 10.543 1.00 0.00 H new ATOM 1065 N LEU A 72 -11.942 -6.837 5.378 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.256 -8.121 4.822 1.00 0.00 C ATOM 1067 C LEU A 72 -11.736 -8.348 3.391 1.00 0.00 C ATOM 1068 O LEU A 72 -10.913 -9.224 3.191 1.00 0.00 O ATOM 1069 CB LEU A 72 -13.721 -8.607 5.121 1.00 0.00 C ATOM 1070 CG LEU A 72 -14.925 -7.698 4.769 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.243 -7.713 3.290 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.147 -8.119 5.568 1.00 0.00 C ATOM 0 H LEU A 72 -12.753 -6.300 5.685 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.651 -8.829 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.863 -9.551 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.779 -8.824 6.188 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.648 -6.677 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.094 -7.061 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.378 -7.360 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.486 -8.729 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.988 -7.474 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.398 -9.153 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.933 -8.032 6.633 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.100 -7.544 2.428 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.596 -7.823 1.086 1.00 0.00 C ATOM 1086 C LEU A 73 -10.275 -7.201 0.745 1.00 0.00 C ATOM 1087 O LEU A 73 -9.345 -7.935 0.379 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.603 -7.699 -0.029 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.269 -9.016 -0.469 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.232 -10.016 -0.959 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.086 -9.619 0.649 1.00 0.00 C ATOM 0 H LEU A 73 -12.709 -6.731 2.523 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.391 -8.891 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.383 -7.005 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.109 -7.255 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.941 -8.780 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.730 -10.937 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.695 -9.596 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.528 -10.233 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.543 -10.547 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.439 -9.826 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.867 -8.919 0.947 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.164 -5.871 0.871 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.916 -5.180 0.569 1.00 0.00 C ATOM 1105 C TRP A 74 -7.749 -5.842 1.345 1.00 0.00 C ATOM 1106 O TRP A 74 -6.687 -6.091 0.846 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.976 -3.663 0.985 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.829 -2.626 0.183 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.852 -2.797 -0.718 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.618 -1.218 0.236 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.306 -1.560 -1.177 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.571 -0.583 -0.575 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.717 -0.464 0.916 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.641 0.802 -0.705 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.754 0.932 0.807 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.728 1.552 0.004 1.00 0.00 C ATOM 0 H TRP A 74 -10.922 -5.261 1.178 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.760 -5.249 -0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.328 -3.632 2.016 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.950 -3.295 0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.248 -3.753 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -12.059 -1.412 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.974 -0.939 1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.382 1.270 -1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.033 1.533 1.341 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.761 2.630 -0.058 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.982 -6.119 2.556 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.933 -6.597 3.420 1.00 0.00 C ATOM 1129 C LYS A 75 -6.682 -8.077 3.456 1.00 0.00 C ATOM 1130 O LYS A 75 -5.519 -8.468 3.461 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.943 -5.924 4.743 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.937 -4.426 4.564 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.613 -3.898 4.018 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.616 -3.757 5.186 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.365 -3.056 4.847 1.00 0.00 N ATOM 0 H LYS A 75 -8.895 -6.030 3.001 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.023 -6.276 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.825 -6.227 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.073 -6.232 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.742 -4.143 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.145 -3.950 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.217 -4.578 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.763 -2.934 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.106 -3.224 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.370 -4.752 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.013 -2.550 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.653 -3.747 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.545 -2.375 4.082 1.00 0.00 H new ATOM 1149 N SER A 76 -7.726 -8.918 3.465 1.00 0.00 N ATOM 1150 CA SER A 76 -7.469 -10.366 3.492 1.00 0.00 C ATOM 1151 C SER A 76 -6.720 -10.768 2.237 1.00 0.00 C ATOM 1152 O SER A 76 -5.817 -11.615 2.273 1.00 0.00 O ATOM 1153 CB SER A 76 -8.752 -11.179 3.630 1.00 0.00 C ATOM 1154 OG SER A 76 -9.510 -10.740 4.756 1.00 0.00 O ATOM 0 H SER A 76 -8.708 -8.642 3.455 1.00 0.00 H new ATOM 0 HA SER A 76 -6.862 -10.583 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.349 -11.082 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.508 -12.236 3.739 1.00 0.00 H new ATOM 0 HG SER A 76 -9.977 -9.908 4.532 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.054 -10.104 1.147 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.381 -10.327 -0.091 1.00 0.00 C ATOM 1162 C GLU A 77 -4.971 -9.759 -0.031 1.00 0.00 C ATOM 1163 O GLU A 77 -4.064 -10.379 -0.576 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.141 -9.696 -1.242 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.483 -10.308 -1.557 1.00 0.00 C ATOM 1166 CD GLU A 77 -8.363 -11.565 -2.347 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.347 -11.468 -3.596 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -8.283 -12.648 -1.771 1.00 0.00 O ATOM 0 H GLU A 77 -7.794 -9.404 1.108 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.329 -11.403 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.288 -8.639 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.520 -9.750 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.012 -10.516 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.086 -9.589 -2.112 1.00 0.00 H new ATOM 1175 N PHE A 78 -4.775 -8.590 0.670 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.442 -7.978 0.750 1.00 0.00 C ATOM 1177 C PHE A 78 -2.492 -8.952 1.356 1.00 0.00 C ATOM 1178 O PHE A 78 -1.386 -9.125 0.882 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.467 -6.663 1.572 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.124 -5.967 1.655 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.514 -5.463 0.518 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.480 -5.813 2.875 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.289 -4.824 0.589 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.254 -5.175 2.951 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.341 -4.681 1.806 1.00 0.00 C ATOM 0 H PHE A 78 -5.510 -8.084 1.165 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.115 -7.724 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.192 -5.981 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.814 -6.883 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.003 -5.571 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.940 -6.195 3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.173 -4.438 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.238 -5.063 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.298 -4.184 1.865 1.00 0.00 H new ATOM 1195 N PHE A 79 -2.948 -9.612 2.394 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.172 -10.626 3.049 1.00 0.00 C ATOM 1197 C PHE A 79 -1.863 -11.775 2.107 1.00 0.00 C ATOM 1198 O PHE A 79 -0.699 -12.096 1.897 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.873 -11.116 4.317 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.835 -10.119 5.453 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -1.668 -9.909 6.190 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -3.956 -9.386 5.780 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.639 -8.985 7.218 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -3.932 -8.467 6.804 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.778 -8.262 7.525 1.00 0.00 C ATOM 0 H PHE A 79 -3.869 -9.458 2.805 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.221 -10.183 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.912 -11.347 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.406 -12.045 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.778 -10.474 5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.869 -9.536 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.730 -8.828 7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.822 -7.904 7.043 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.761 -7.539 8.328 1.00 0.00 H new ATOM 1215 N GLU A 80 -2.891 -12.328 1.478 1.00 0.00 N ATOM 1216 CA GLU A 80 -2.705 -13.479 0.619 1.00 0.00 C ATOM 1217 C GLU A 80 -1.742 -13.208 -0.528 1.00 0.00 C ATOM 1218 O GLU A 80 -0.719 -13.874 -0.648 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.018 -14.024 0.066 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.000 -14.479 1.115 1.00 0.00 C ATOM 1221 CD GLU A 80 -5.911 -15.561 0.604 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -5.413 -16.639 0.206 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -7.138 -15.371 0.574 1.00 0.00 O ATOM 0 H GLU A 80 -3.854 -11.998 1.548 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.265 -14.239 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.489 -13.252 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.798 -14.862 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.456 -14.845 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.597 -13.629 1.446 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.021 -12.190 -1.307 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.264 -11.943 -2.522 1.00 0.00 C ATOM 1232 C ASN A 81 0.174 -11.464 -2.286 1.00 0.00 C ATOM 1233 O ASN A 81 1.057 -11.718 -3.125 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.028 -11.048 -3.533 1.00 0.00 C ATOM 1235 CG ASN A 81 -2.383 -9.655 -3.019 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -1.686 -9.082 -2.211 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.483 -9.116 -3.486 1.00 0.00 N ATOM 0 H ASN A 81 -2.765 -11.517 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.160 -12.925 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.422 -10.944 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.947 -11.557 -3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.772 -8.190 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.050 -9.622 -4.166 1.00 0.00 H new ATOM 1244 N CYS A 82 0.440 -10.800 -1.172 1.00 0.00 N ATOM 1245 CA CYS A 82 1.795 -10.367 -0.918 1.00 0.00 C ATOM 1246 C CYS A 82 2.684 -11.551 -0.501 1.00 0.00 C ATOM 1247 O CYS A 82 3.793 -11.702 -1.003 1.00 0.00 O ATOM 1248 CB CYS A 82 1.852 -9.243 0.115 1.00 0.00 C ATOM 1249 SG CYS A 82 1.252 -9.692 1.758 1.00 0.00 S ATOM 0 H CYS A 82 -0.242 -10.558 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 82 2.185 -9.963 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.883 -8.900 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.266 -8.401 -0.253 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.025 -9.460 1.832 1.00 0.00 H new ATOM 1255 N ARG A 83 2.172 -12.409 0.394 1.00 0.00 N ATOM 1256 CA ARG A 83 2.930 -13.606 0.862 1.00 0.00 C ATOM 1257 C ARG A 83 3.053 -14.570 -0.331 1.00 0.00 C ATOM 1258 O ARG A 83 4.063 -15.251 -0.503 1.00 0.00 O ATOM 1259 CB ARG A 83 2.126 -14.332 1.965 1.00 0.00 C ATOM 1260 CG ARG A 83 1.580 -13.468 3.119 1.00 0.00 C ATOM 1261 CD ARG A 83 2.602 -12.990 4.128 1.00 0.00 C ATOM 1262 NE ARG A 83 3.610 -12.060 3.619 1.00 0.00 N ATOM 1263 CZ ARG A 83 4.863 -12.117 4.012 1.00 0.00 C ATOM 1264 NH1 ARG A 83 5.195 -12.887 5.047 1.00 0.00 N ATOM 1265 NH2 ARG A 83 5.777 -11.358 3.460 1.00 0.00 N ATOM 0 H ARG A 83 1.247 -12.309 0.812 1.00 0.00 H new ATOM 0 HA ARG A 83 3.904 -13.304 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.284 -14.837 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.762 -15.106 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.085 -12.596 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.817 -14.041 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.074 -12.510 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.113 -13.860 4.540 1.00 0.00 H new ATOM 0 HE ARG A 83 3.333 -11.349 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.478 -13.429 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.166 -12.935 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.520 -10.711 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.745 -11.414 3.776 1.00 0.00 H new ATOM 1279 N ASP A 84 1.999 -14.595 -1.153 1.00 0.00 N ATOM 1280 CA ASP A 84 1.918 -15.421 -2.372 1.00 0.00 C ATOM 1281 C ASP A 84 3.079 -15.107 -3.270 1.00 0.00 C ATOM 1282 O ASP A 84 3.842 -15.962 -3.677 1.00 0.00 O ATOM 1283 CB ASP A 84 0.652 -15.068 -3.148 1.00 0.00 C ATOM 1284 CG ASP A 84 0.366 -16.017 -4.290 1.00 0.00 C ATOM 1285 OD1 ASP A 84 0.905 -15.817 -5.399 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.384 -16.988 -4.098 1.00 0.00 O ATOM 0 H ASP A 84 1.162 -14.034 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 84 1.919 -16.471 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.197 -15.067 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.745 -14.056 -3.541 1.00 0.00 H new ATOM 1291 N THR A 85 3.211 -13.858 -3.534 1.00 0.00 N ATOM 1292 CA THR A 85 4.222 -13.347 -4.377 1.00 0.00 C ATOM 1293 C THR A 85 5.603 -13.486 -3.716 1.00 0.00 C ATOM 1294 O THR A 85 6.594 -13.757 -4.383 1.00 0.00 O ATOM 1295 CB THR A 85 3.882 -11.895 -4.671 1.00 0.00 C ATOM 1296 OG1 THR A 85 2.601 -11.843 -5.343 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.953 -11.215 -5.499 1.00 0.00 C ATOM 0 H THR A 85 2.594 -13.140 -3.154 1.00 0.00 H new ATOM 0 HA THR A 85 4.268 -13.910 -5.309 1.00 0.00 H new ATOM 0 HB THR A 85 3.829 -11.352 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.887 -11.746 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.667 -10.180 -5.684 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.900 -11.239 -4.960 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.064 -11.736 -6.450 1.00 0.00 H new ATOM 1305 N ALA A 86 5.631 -13.366 -2.406 1.00 0.00 N ATOM 1306 CA ALA A 86 6.852 -13.492 -1.651 1.00 0.00 C ATOM 1307 C ALA A 86 7.427 -14.879 -1.810 1.00 0.00 C ATOM 1308 O ALA A 86 8.610 -15.021 -2.114 1.00 0.00 O ATOM 1309 CB ALA A 86 6.613 -13.193 -0.189 1.00 0.00 C ATOM 0 H ALA A 86 4.805 -13.178 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 86 7.567 -12.767 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.549 -13.294 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.238 -12.175 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.880 -13.894 0.210 1.00 0.00 H new ATOM 1315 N LYS A 87 6.586 -15.902 -1.663 1.00 0.00 N ATOM 1316 CA LYS A 87 7.044 -17.277 -1.804 1.00 0.00 C ATOM 1317 C LYS A 87 7.449 -17.568 -3.259 1.00 0.00 C ATOM 1318 O LYS A 87 8.362 -18.356 -3.514 1.00 0.00 O ATOM 1319 CB LYS A 87 6.019 -18.299 -1.278 1.00 0.00 C ATOM 1320 CG LYS A 87 4.700 -18.332 -2.017 1.00 0.00 C ATOM 1321 CD LYS A 87 3.782 -19.398 -1.460 1.00 0.00 C ATOM 1322 CE LYS A 87 2.467 -19.442 -2.218 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.557 -20.464 -1.675 1.00 0.00 N ATOM 0 H LYS A 87 5.594 -15.803 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 87 7.929 -17.390 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.466 -19.292 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.823 -18.084 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.216 -17.358 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.879 -18.520 -3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.271 -20.370 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.590 -19.201 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.987 -18.465 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.661 -19.650 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.670 -20.463 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.005 -21.400 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.352 -20.252 -0.678 1.00 0.00 H new ATOM 1337 N ARG A 88 6.801 -16.876 -4.210 1.00 0.00 N ATOM 1338 CA ARG A 88 7.194 -16.980 -5.611 1.00 0.00 C ATOM 1339 C ARG A 88 8.572 -16.388 -5.812 1.00 0.00 C ATOM 1340 O ARG A 88 9.385 -16.918 -6.557 1.00 0.00 O ATOM 1341 CB ARG A 88 6.174 -16.349 -6.587 1.00 0.00 C ATOM 1342 CG ARG A 88 5.135 -17.330 -7.121 1.00 0.00 C ATOM 1343 CD ARG A 88 4.211 -17.859 -6.053 1.00 0.00 C ATOM 1344 NE ARG A 88 3.508 -19.054 -6.507 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.288 -19.435 -6.138 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.466 -18.589 -5.544 1.00 0.00 N ATOM 1347 NH2 ARG A 88 1.868 -20.646 -6.440 1.00 0.00 N ATOM 0 H ARG A 88 6.016 -16.250 -4.032 1.00 0.00 H new ATOM 0 HA ARG A 88 7.216 -18.043 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.660 -15.532 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.713 -15.914 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.543 -16.838 -7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.646 -18.167 -7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.784 -18.090 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.488 -17.090 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 88 3.998 -19.654 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.764 -17.630 -5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.533 -18.894 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.477 -21.284 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.934 -20.946 -6.161 1.00 0.00 H new ATOM 1361 N ASN A 89 8.850 -15.315 -5.114 1.00 0.00 N ATOM 1362 CA ASN A 89 10.157 -14.706 -5.171 1.00 0.00 C ATOM 1363 C ASN A 89 11.192 -15.562 -4.468 1.00 0.00 C ATOM 1364 O ASN A 89 12.348 -15.558 -4.858 1.00 0.00 O ATOM 1365 CB ASN A 89 10.179 -13.258 -4.620 1.00 0.00 C ATOM 1366 CG ASN A 89 9.458 -12.262 -5.509 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.354 -12.454 -6.716 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.015 -11.164 -4.939 1.00 0.00 N ATOM 0 H ASN A 89 8.187 -14.844 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 89 10.414 -14.642 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.722 -13.247 -3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.214 -12.940 -4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.569 -10.441 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.117 -11.035 -3.932 1.00 0.00 H new ATOM 1375 N GLN A 90 10.774 -16.328 -3.450 1.00 0.00 N ATOM 1376 CA GLN A 90 11.721 -17.171 -2.718 1.00 0.00 C ATOM 1377 C GLN A 90 12.160 -18.354 -3.571 1.00 0.00 C ATOM 1378 O GLN A 90 13.346 -18.668 -3.618 1.00 0.00 O ATOM 1379 CB GLN A 90 11.171 -17.655 -1.355 1.00 0.00 C ATOM 1380 CG GLN A 90 10.661 -16.547 -0.432 1.00 0.00 C ATOM 1381 CD GLN A 90 11.592 -15.364 -0.355 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.320 -14.380 -1.162 1.00 0.00 O flip ATOM 1383 NE2 GLN A 90 12.495 -15.311 0.463 1.00 0.00 N flip ATOM 0 H GLN A 90 9.809 -16.380 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 90 12.588 -16.547 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.358 -18.358 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.957 -18.205 -0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.685 -16.211 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.517 -16.954 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.674 -16.106 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.071 -14.472 0.533 1.00 0.00 H new ATOM 1392 N GLN A 91 11.224 -18.994 -4.270 1.00 0.00 N ATOM 1393 CA GLN A 91 11.584 -20.113 -5.143 1.00 0.00 C ATOM 1394 C GLN A 91 12.472 -19.646 -6.292 1.00 0.00 C ATOM 1395 O GLN A 91 13.388 -20.351 -6.707 1.00 0.00 O ATOM 1396 CB GLN A 91 10.351 -20.849 -5.668 1.00 0.00 C ATOM 1397 CG GLN A 91 9.379 -19.983 -6.431 1.00 0.00 C ATOM 1398 CD GLN A 91 8.211 -20.753 -6.971 1.00 0.00 C ATOM 1399 OE1 GLN A 91 8.254 -21.256 -8.088 1.00 0.00 O ATOM 1400 NE2 GLN A 91 7.181 -20.876 -6.193 1.00 0.00 N ATOM 0 H GLN A 91 10.230 -18.765 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 91 12.151 -20.823 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.678 -21.662 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.829 -21.303 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.014 -19.191 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.902 -19.499 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.184 -20.442 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.367 -21.407 -6.504 1.00 0.00 H new ATOM 1409 N ALA A 92 12.239 -18.426 -6.753 1.00 0.00 N ATOM 1410 CA ALA A 92 13.028 -17.849 -7.834 1.00 0.00 C ATOM 1411 C ALA A 92 14.328 -17.250 -7.290 1.00 0.00 C ATOM 1412 O ALA A 92 15.185 -16.800 -8.048 1.00 0.00 O ATOM 1413 CB ALA A 92 12.207 -16.802 -8.567 1.00 0.00 C ATOM 0 H ALA A 92 11.507 -17.813 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 92 13.295 -18.635 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.801 -16.373 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.312 -17.266 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.918 -16.014 -7.872 1.00 0.00 H new ATOM 1419 N GLY A 93 14.453 -17.254 -5.978 1.00 0.00 N ATOM 1420 CA GLY A 93 15.633 -16.760 -5.308 1.00 0.00 C ATOM 1421 C GLY A 93 15.853 -15.285 -5.486 1.00 0.00 C ATOM 1422 O GLY A 93 16.929 -14.851 -5.864 1.00 0.00 O ATOM 0 H GLY A 93 13.733 -17.603 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.556 -16.981 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.505 -17.297 -5.683 1.00 0.00 H new ATOM 1426 N ASN A 94 14.827 -14.524 -5.236 1.00 0.00 N ATOM 1427 CA ASN A 94 14.911 -13.084 -5.277 1.00 0.00 C ATOM 1428 C ASN A 94 14.995 -12.563 -3.872 1.00 0.00 C ATOM 1429 O ASN A 94 14.520 -13.216 -2.927 1.00 0.00 O ATOM 1430 CB ASN A 94 13.703 -12.445 -6.001 1.00 0.00 C ATOM 1431 CG ASN A 94 13.785 -12.491 -7.522 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.318 -11.573 -8.149 1.00 0.00 O ATOM 1433 ND2 ASN A 94 13.236 -13.512 -8.131 1.00 0.00 N ATOM 0 H ASN A 94 13.902 -14.882 -4.996 1.00 0.00 H new ATOM 0 HA ASN A 94 15.803 -12.813 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.793 -12.954 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.614 -11.406 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.242 -13.562 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.802 -14.257 -7.587 1.00 0.00 H new ATOM 1440 N GLY A 95 15.575 -11.398 -3.717 1.00 0.00 N ATOM 1441 CA GLY A 95 15.732 -10.791 -2.409 1.00 0.00 C ATOM 1442 C GLY A 95 14.471 -10.125 -1.913 1.00 0.00 C ATOM 1443 O GLY A 95 14.472 -9.456 -0.878 1.00 0.00 O ATOM 0 H GLY A 95 15.951 -10.843 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.038 -11.555 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.534 -10.054 -2.450 1.00 0.00 H new ATOM 1447 N TRP A 96 13.401 -10.272 -2.657 1.00 0.00 N ATOM 1448 CA TRP A 96 12.121 -9.762 -2.256 1.00 0.00 C ATOM 1449 C TRP A 96 11.461 -10.818 -1.468 1.00 0.00 C ATOM 1450 O TRP A 96 10.756 -11.683 -1.957 1.00 0.00 O ATOM 1451 CB TRP A 96 11.351 -9.222 -3.438 1.00 0.00 C ATOM 1452 CG TRP A 96 12.231 -8.217 -4.084 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.958 -7.278 -3.415 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.536 -8.055 -5.464 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.710 -6.570 -4.261 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.469 -7.004 -5.540 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.125 -8.683 -6.641 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 13.996 -6.575 -6.732 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 12.654 -8.238 -7.835 1.00 0.00 C ATOM 1460 CH2 TRP A 96 13.586 -7.189 -7.862 1.00 0.00 C ATOM 0 H TRP A 96 13.398 -10.750 -3.558 1.00 0.00 H new ATOM 0 HA TRP A 96 12.201 -8.887 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.097 -10.021 -4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.413 -8.769 -3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.930 -7.127 -2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.358 -5.827 -3.999 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.413 -9.495 -6.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.716 -5.771 -6.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.347 -8.703 -8.760 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.986 -6.865 -8.812 1.00 0.00 H new ATOM 1471 N ASP A 97 11.790 -10.732 -0.245 1.00 0.00 N ATOM 1472 CA ASP A 97 11.678 -11.796 0.727 1.00 0.00 C ATOM 1473 C ASP A 97 10.320 -11.864 1.383 1.00 0.00 C ATOM 1474 O ASP A 97 9.627 -10.886 1.468 1.00 0.00 O ATOM 1475 CB ASP A 97 12.765 -11.536 1.784 1.00 0.00 C ATOM 1476 CG ASP A 97 13.047 -12.685 2.715 1.00 0.00 C ATOM 1477 OD1 ASP A 97 12.257 -12.941 3.606 1.00 0.00 O ATOM 1478 OD2 ASP A 97 14.123 -13.300 2.593 1.00 0.00 O ATOM 0 H ASP A 97 12.171 -9.874 0.154 1.00 0.00 H new ATOM 0 HA ASP A 97 11.807 -12.755 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 97 13.690 -11.270 1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.470 -10.672 2.379 1.00 0.00 H new ATOM 1483 N PHE A 98 9.948 -13.045 1.793 1.00 0.00 N ATOM 1484 CA PHE A 98 8.807 -13.317 2.600 1.00 0.00 C ATOM 1485 C PHE A 98 8.819 -12.498 3.946 1.00 0.00 C ATOM 1486 O PHE A 98 7.839 -12.431 4.632 1.00 0.00 O ATOM 1487 CB PHE A 98 8.632 -14.864 2.705 1.00 0.00 C ATOM 1488 CG PHE A 98 7.526 -15.385 3.580 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.202 -15.335 3.163 1.00 0.00 C ATOM 1490 CD2 PHE A 98 7.811 -15.949 4.812 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.196 -15.830 3.965 1.00 0.00 C ATOM 1492 CE2 PHE A 98 6.804 -16.448 5.612 1.00 0.00 C ATOM 1493 CZ PHE A 98 5.496 -16.387 5.191 1.00 0.00 C ATOM 0 H PHE A 98 10.469 -13.889 1.554 1.00 0.00 H new ATOM 0 HA PHE A 98 7.893 -12.949 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.475 -15.253 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.571 -15.284 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.959 -14.905 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 98 8.835 -15.999 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.170 -15.782 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.043 -16.887 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.706 -16.774 5.818 1.00 0.00 H new ATOM 1503 N ASP A 99 9.949 -11.980 4.350 1.00 0.00 N ATOM 1504 CA ASP A 99 10.013 -10.980 5.463 1.00 0.00 C ATOM 1505 C ASP A 99 9.805 -9.574 4.829 1.00 0.00 C ATOM 1506 O ASP A 99 8.810 -8.935 5.081 1.00 0.00 O ATOM 1507 CB ASP A 99 11.427 -11.022 6.099 1.00 0.00 C ATOM 1508 CG ASP A 99 11.533 -10.563 7.559 1.00 0.00 C ATOM 1509 OD1 ASP A 99 11.572 -9.354 7.840 1.00 0.00 O ATOM 1510 OD2 ASP A 99 11.639 -11.451 8.457 1.00 0.00 O ATOM 0 H ASP A 99 10.856 -12.213 3.945 1.00 0.00 H new ATOM 0 HA ASP A 99 9.260 -11.194 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.800 -12.044 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.091 -10.402 5.497 1.00 0.00 H new ATOM 1515 N MET A 100 10.705 -9.226 3.852 1.00 0.00 N ATOM 1516 CA MET A 100 10.777 -7.864 3.185 1.00 0.00 C ATOM 1517 C MET A 100 9.499 -7.444 2.470 1.00 0.00 C ATOM 1518 O MET A 100 9.082 -6.286 2.543 1.00 0.00 O ATOM 1519 CB MET A 100 11.940 -7.758 2.139 1.00 0.00 C ATOM 1520 CG MET A 100 13.361 -7.822 2.682 1.00 0.00 C ATOM 1521 SD MET A 100 13.791 -6.359 3.634 1.00 0.00 S ATOM 1522 CE MET A 100 15.523 -6.652 3.929 1.00 0.00 C ATOM 0 H MET A 100 11.405 -9.878 3.499 1.00 0.00 H new ATOM 0 HA MET A 100 10.952 -7.195 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 100 11.818 -8.561 1.413 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.825 -6.819 1.598 1.00 0.00 H new ATOM 0 HG2 MET A 100 13.469 -8.706 3.310 1.00 0.00 H new ATOM 0 HG3 MET A 100 14.060 -7.932 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.884 -5.963 4.693 1.00 0.00 H new ATOM 0 HE2 MET A 100 15.666 -7.678 4.269 1.00 0.00 H new ATOM 0 HE3 MET A 100 16.081 -6.495 3.006 1.00 0.00 H new ATOM 1532 N LEU A 101 8.921 -8.351 1.738 1.00 0.00 N ATOM 1533 CA LEU A 101 7.778 -8.041 0.934 1.00 0.00 C ATOM 1534 C LEU A 101 6.529 -8.159 1.756 1.00 0.00 C ATOM 1535 O LEU A 101 6.019 -9.257 1.945 1.00 0.00 O ATOM 1536 CB LEU A 101 7.679 -8.969 -0.267 1.00 0.00 C ATOM 1537 CG LEU A 101 6.627 -8.573 -1.293 1.00 0.00 C ATOM 1538 CD1 LEU A 101 7.086 -7.386 -2.097 1.00 0.00 C ATOM 1539 CD2 LEU A 101 6.262 -9.730 -2.180 1.00 0.00 C ATOM 0 H LEU A 101 9.228 -9.322 1.682 1.00 0.00 H new ATOM 0 HA LEU A 101 7.890 -7.019 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.651 -9.008 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.460 -9.977 0.087 1.00 0.00 H new ATOM 0 HG LEU A 101 5.725 -8.284 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.319 -7.120 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.263 -6.542 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.010 -7.635 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.509 -9.412 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.149 -10.076 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.863 -10.542 -1.573 1.00 0.00 H new ATOM 1551 N THR A 102 6.067 -7.027 2.210 1.00 0.00 N ATOM 1552 CA THR A 102 4.930 -6.829 3.084 1.00 0.00 C ATOM 1553 C THR A 102 5.399 -6.715 4.532 1.00 0.00 C ATOM 1554 O THR A 102 6.577 -6.828 4.811 1.00 0.00 O ATOM 1555 CB THR A 102 3.735 -7.849 2.929 1.00 0.00 C ATOM 1556 OG1 THR A 102 2.499 -7.153 3.141 1.00 0.00 O ATOM 1557 CG2 THR A 102 3.777 -8.981 3.953 1.00 0.00 C ATOM 0 H THR A 102 6.509 -6.142 1.961 1.00 0.00 H new ATOM 0 HA THR A 102 4.485 -5.890 2.757 1.00 0.00 H new ATOM 0 HB THR A 102 3.819 -8.275 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.757 -7.691 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.929 -9.648 3.793 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.705 -9.541 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.726 -8.564 4.959 1.00 0.00 H new ATOM 1565 N GLY A 103 4.494 -6.508 5.435 1.00 0.00 N ATOM 1566 CA GLY A 103 4.869 -6.350 6.802 1.00 0.00 C ATOM 1567 C GLY A 103 4.747 -7.647 7.557 1.00 0.00 C ATOM 1568 O GLY A 103 3.845 -7.796 8.385 1.00 0.00 O ATOM 0 H GLY A 103 3.493 -6.445 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.896 -5.988 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.238 -5.594 7.269 1.00 0.00 H new ATOM 1572 N SER A 104 5.623 -8.601 7.275 1.00 0.00 N ATOM 1573 CA SER A 104 5.570 -9.867 7.971 1.00 0.00 C ATOM 1574 C SER A 104 6.924 -10.503 8.115 1.00 0.00 C ATOM 1575 O SER A 104 7.336 -11.379 7.338 1.00 0.00 O ATOM 1576 CB SER A 104 4.479 -10.815 7.423 1.00 0.00 C ATOM 1577 OG SER A 104 4.403 -12.038 8.156 1.00 0.00 O ATOM 0 H SER A 104 6.365 -8.520 6.580 1.00 0.00 H new ATOM 0 HA SER A 104 5.251 -9.646 8.990 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.513 -10.312 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.685 -11.035 6.375 1.00 0.00 H new ATOM 0 HG SER A 104 3.700 -12.604 7.775 1.00 0.00 H new ATOM 1583 N GLY A 105 7.620 -10.003 9.073 1.00 0.00 N ATOM 1584 CA GLY A 105 8.876 -10.497 9.443 1.00 0.00 C ATOM 1585 C GLY A 105 9.435 -9.636 10.545 1.00 0.00 C ATOM 1586 O GLY A 105 8.676 -8.906 11.204 1.00 0.00 O ATOM 0 H GLY A 105 7.309 -9.210 9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.790 -11.530 9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.549 -10.495 8.586 1.00 0.00 H new ATOM 1590 N ASN A 106 10.724 -9.653 10.718 1.00 0.00 N ATOM 1591 CA ASN A 106 11.356 -8.898 11.810 1.00 0.00 C ATOM 1592 C ASN A 106 11.968 -7.616 11.333 1.00 0.00 C ATOM 1593 O ASN A 106 12.169 -6.688 12.114 1.00 0.00 O ATOM 1594 CB ASN A 106 12.422 -9.707 12.559 1.00 0.00 C ATOM 1595 CG ASN A 106 11.868 -10.770 13.500 1.00 0.00 C ATOM 1596 OD1 ASN A 106 10.807 -11.356 13.260 1.00 0.00 O ATOM 1597 ND2 ASN A 106 12.556 -11.004 14.589 1.00 0.00 N ATOM 0 H ASN A 106 11.374 -10.174 10.129 1.00 0.00 H new ATOM 0 HA ASN A 106 10.543 -8.674 12.501 1.00 0.00 H new ATOM 0 HB2 ASN A 106 13.072 -10.190 11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.043 -9.020 13.134 1.00 0.00 H new ATOM 0 HD21 ASN A 106 12.219 -11.687 15.268 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.429 -10.504 14.758 1.00 0.00 H new ATOM 1604 N TYR A 107 12.269 -7.538 10.073 1.00 0.00 N ATOM 1605 CA TYR A 107 12.882 -6.345 9.555 1.00 0.00 C ATOM 1606 C TYR A 107 12.070 -5.750 8.438 1.00 0.00 C ATOM 1607 O TYR A 107 12.523 -4.852 7.746 1.00 0.00 O ATOM 1608 CB TYR A 107 14.367 -6.576 9.186 1.00 0.00 C ATOM 1609 CG TYR A 107 14.663 -7.902 8.525 1.00 0.00 C ATOM 1610 CD1 TYR A 107 14.564 -8.068 7.155 1.00 0.00 C ATOM 1611 CD2 TYR A 107 15.047 -8.997 9.291 1.00 0.00 C ATOM 1612 CE1 TYR A 107 14.833 -9.288 6.569 1.00 0.00 C ATOM 1613 CE2 TYR A 107 15.320 -10.214 8.716 1.00 0.00 C ATOM 1614 CZ TYR A 107 15.211 -10.356 7.356 1.00 0.00 C ATOM 1615 OH TYR A 107 15.470 -11.575 6.776 1.00 0.00 O ATOM 0 H TYR A 107 12.104 -8.275 9.388 1.00 0.00 H new ATOM 0 HA TYR A 107 12.891 -5.599 10.349 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.689 -5.775 8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.967 -6.497 10.092 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.272 -7.232 6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 107 15.133 -8.888 10.362 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.748 -9.406 5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.618 -11.052 9.329 1.00 0.00 H new ATOM 0 HH TYR A 107 15.725 -12.219 7.469 1.00 0.00 H new ATOM 1625 N SER A 108 10.822 -6.185 8.366 1.00 0.00 N ATOM 1626 CA SER A 108 9.852 -5.774 7.356 1.00 0.00 C ATOM 1627 C SER A 108 9.148 -4.456 7.753 1.00 0.00 C ATOM 1628 O SER A 108 8.050 -4.126 7.266 1.00 0.00 O ATOM 1629 CB SER A 108 8.835 -6.898 7.241 1.00 0.00 C ATOM 1630 OG SER A 108 8.270 -7.201 8.518 1.00 0.00 O ATOM 0 H SER A 108 10.441 -6.858 9.031 1.00 0.00 H new ATOM 0 HA SER A 108 10.353 -5.591 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.045 -6.611 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.313 -7.787 6.829 1.00 0.00 H new ATOM 0 HG SER A 108 7.301 -7.060 8.489 1.00 0.00 H new ATOM 1636 N SER A 109 9.757 -3.740 8.653 1.00 0.00 N ATOM 1637 CA SER A 109 9.252 -2.485 9.135 1.00 0.00 C ATOM 1638 C SER A 109 9.479 -1.343 8.089 1.00 0.00 C ATOM 1639 O SER A 109 9.875 -1.608 6.947 1.00 0.00 O ATOM 1640 CB SER A 109 9.979 -2.183 10.421 1.00 0.00 C ATOM 1641 OG SER A 109 9.926 -3.295 11.311 1.00 0.00 O ATOM 0 H SER A 109 10.639 -4.018 9.083 1.00 0.00 H new ATOM 0 HA SER A 109 8.176 -2.547 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.018 -1.934 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.534 -1.309 10.898 1.00 0.00 H new ATOM 0 HG SER A 109 10.406 -3.076 12.137 1.00 0.00 H new ATOM 1647 N THR A 110 9.237 -0.084 8.504 1.00 0.00 N ATOM 1648 CA THR A 110 9.387 1.119 7.662 1.00 0.00 C ATOM 1649 C THR A 110 10.761 1.164 6.961 1.00 0.00 C ATOM 1650 O THR A 110 10.877 1.548 5.786 1.00 0.00 O ATOM 1651 CB THR A 110 9.220 2.358 8.561 1.00 0.00 C ATOM 1652 OG1 THR A 110 8.004 2.220 9.311 1.00 0.00 O ATOM 1653 CG2 THR A 110 9.179 3.658 7.752 1.00 0.00 C ATOM 0 H THR A 110 8.926 0.129 9.452 1.00 0.00 H new ATOM 0 HA THR A 110 8.627 1.098 6.880 1.00 0.00 H new ATOM 0 HB THR A 110 10.082 2.417 9.225 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.886 3.002 9.890 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.060 4.504 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.108 3.768 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.339 3.628 7.058 1.00 0.00 H new ATOM 1661 N ASP A 111 11.760 0.720 7.691 1.00 0.00 N ATOM 1662 CA ASP A 111 13.138 0.630 7.251 1.00 0.00 C ATOM 1663 C ASP A 111 13.265 -0.121 5.908 1.00 0.00 C ATOM 1664 O ASP A 111 13.694 0.466 4.883 1.00 0.00 O ATOM 1665 CB ASP A 111 13.924 -0.093 8.344 1.00 0.00 C ATOM 1666 CG ASP A 111 15.374 -0.319 8.021 1.00 0.00 C ATOM 1667 OD1 ASP A 111 16.187 0.555 8.327 1.00 0.00 O ATOM 1668 OD2 ASP A 111 15.726 -1.409 7.511 1.00 0.00 O ATOM 0 H ASP A 111 11.630 0.397 8.650 1.00 0.00 H new ATOM 0 HA ASP A 111 13.533 1.632 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.856 0.485 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.453 -1.057 8.536 1.00 0.00 H new ATOM 1673 N ALA A 112 12.787 -1.373 5.892 1.00 0.00 N ATOM 1674 CA ALA A 112 12.934 -2.299 4.751 1.00 0.00 C ATOM 1675 C ALA A 112 12.441 -1.701 3.459 1.00 0.00 C ATOM 1676 O ALA A 112 13.027 -1.912 2.396 1.00 0.00 O ATOM 1677 CB ALA A 112 12.193 -3.593 5.015 1.00 0.00 C ATOM 0 H ALA A 112 12.281 -1.780 6.678 1.00 0.00 H new ATOM 0 HA ALA A 112 14.001 -2.496 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.314 -4.262 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.597 -4.068 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 112 11.134 -3.382 5.164 1.00 0.00 H new ATOM 1683 N GLN A 113 11.403 -0.927 3.550 1.00 0.00 N ATOM 1684 CA GLN A 113 10.853 -0.337 2.383 1.00 0.00 C ATOM 1685 C GLN A 113 11.559 0.940 1.975 1.00 0.00 C ATOM 1686 O GLN A 113 11.662 1.239 0.795 1.00 0.00 O ATOM 1687 CB GLN A 113 9.338 -0.144 2.477 1.00 0.00 C ATOM 1688 CG GLN A 113 8.615 -0.922 1.403 1.00 0.00 C ATOM 1689 CD GLN A 113 8.928 -0.402 0.008 1.00 0.00 C ATOM 1690 OE1 GLN A 113 10.063 -0.772 -0.518 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 8.211 0.414 -0.530 1.00 0.00 N flip ATOM 0 H GLN A 113 10.926 -0.694 4.421 1.00 0.00 H new ATOM 0 HA GLN A 113 11.030 -1.056 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.989 -0.465 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.098 0.915 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.894 -1.974 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.540 -0.866 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.329 0.684 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.490 0.831 -1.418 1.00 0.00 H new ATOM 1700 N MET A 114 12.102 1.647 2.924 1.00 0.00 N ATOM 1701 CA MET A 114 12.681 2.940 2.645 1.00 0.00 C ATOM 1702 C MET A 114 14.000 2.850 1.889 1.00 0.00 C ATOM 1703 O MET A 114 14.440 3.845 1.309 1.00 0.00 O ATOM 1704 CB MET A 114 12.830 3.734 3.916 1.00 0.00 C ATOM 1705 CG MET A 114 14.093 3.467 4.714 1.00 0.00 C ATOM 1706 SD MET A 114 14.217 4.499 6.167 1.00 0.00 S ATOM 1707 CE MET A 114 15.701 3.829 6.885 1.00 0.00 C ATOM 0 H MET A 114 12.159 1.354 3.900 1.00 0.00 H new ATOM 0 HA MET A 114 11.991 3.463 1.983 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.797 4.794 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 114 11.970 3.530 4.553 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.114 2.419 5.014 1.00 0.00 H new ATOM 0 HG3 MET A 114 14.962 3.635 4.078 1.00 0.00 H new ATOM 0 HE1 MET A 114 15.881 4.299 7.852 1.00 0.00 H new ATOM 0 HE2 MET A 114 15.587 2.753 7.020 1.00 0.00 H new ATOM 0 HE3 MET A 114 16.545 4.024 6.224 1.00 0.00 H new ATOM 1717 N GLN A 115 14.677 1.686 1.928 1.00 0.00 N ATOM 1718 CA GLN A 115 15.861 1.544 1.009 1.00 0.00 C ATOM 1719 C GLN A 115 15.427 1.583 -0.441 1.00 0.00 C ATOM 1720 O GLN A 115 16.159 2.085 -1.293 1.00 0.00 O ATOM 1721 CB GLN A 115 16.794 0.333 1.261 1.00 0.00 C ATOM 1722 CG GLN A 115 17.624 0.451 2.526 1.00 0.00 C ATOM 1723 CD GLN A 115 16.780 0.411 3.750 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.788 -0.431 3.720 1.00 0.00 O flip ATOM 1725 NE2 GLN A 115 17.074 1.076 4.754 1.00 0.00 N flip ATOM 0 H GLN A 115 14.465 0.885 2.523 1.00 0.00 H new ATOM 0 HA GLN A 115 16.477 2.410 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.191 -0.573 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.463 0.218 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.351 -0.360 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 115 18.188 1.384 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.862 1.723 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.528 0.976 5.610 1.00 0.00 H new ATOM 1734 N TYR A 116 14.222 1.064 -0.692 1.00 0.00 N ATOM 1735 CA TYR A 116 13.565 1.096 -1.975 1.00 0.00 C ATOM 1736 C TYR A 116 14.290 0.409 -3.130 1.00 0.00 C ATOM 1737 O TYR A 116 15.248 0.919 -3.699 1.00 0.00 O ATOM 1738 CB TYR A 116 13.084 2.515 -2.365 1.00 0.00 C ATOM 1739 CG TYR A 116 12.562 2.603 -3.795 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.425 1.902 -4.198 1.00 0.00 C ATOM 1741 CD2 TYR A 116 13.229 3.364 -4.742 1.00 0.00 C ATOM 1742 CE1 TYR A 116 10.986 1.962 -5.503 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.784 3.432 -6.043 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.670 2.729 -6.415 1.00 0.00 C ATOM 1745 OH TYR A 116 11.231 2.786 -7.712 1.00 0.00 O ATOM 0 H TYR A 116 13.669 0.597 0.026 1.00 0.00 H new ATOM 0 HA TYR A 116 12.690 0.468 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 116 12.297 2.826 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 116 13.909 3.217 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 116 10.883 1.306 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.113 3.913 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 116 10.109 1.409 -5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 116 13.311 4.037 -6.766 1.00 0.00 H new ATOM 0 HH TYR A 116 11.821 3.371 -8.232 1.00 0.00 H new ATOM 1755 N ASP A 117 13.805 -0.748 -3.465 1.00 0.00 N ATOM 1756 CA ASP A 117 14.190 -1.388 -4.684 1.00 0.00 C ATOM 1757 C ASP A 117 12.933 -1.390 -5.527 1.00 0.00 C ATOM 1758 O ASP A 117 11.844 -1.736 -5.004 1.00 0.00 O ATOM 1759 CB ASP A 117 14.678 -2.831 -4.482 1.00 0.00 C ATOM 1760 CG ASP A 117 15.209 -3.426 -5.774 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.414 -3.669 -6.686 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.430 -3.678 -5.883 1.00 0.00 O ATOM 0 H ASP A 117 13.134 -1.272 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 117 15.027 -0.861 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.461 -2.848 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.858 -3.444 -4.108 1.00 0.00 H new ATOM 1767 N PRO A 118 13.014 -0.959 -6.791 1.00 0.00 N ATOM 1768 CA PRO A 118 11.863 -0.908 -7.713 1.00 0.00 C ATOM 1769 C PRO A 118 11.129 -2.241 -7.885 1.00 0.00 C ATOM 1770 O PRO A 118 9.976 -2.246 -8.293 1.00 0.00 O ATOM 1771 CB PRO A 118 12.479 -0.488 -9.045 1.00 0.00 C ATOM 1772 CG PRO A 118 13.722 0.226 -8.680 1.00 0.00 C ATOM 1773 CD PRO A 118 14.237 -0.431 -7.434 1.00 0.00 C ATOM 0 HA PRO A 118 11.104 -0.229 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.690 -1.353 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.803 0.157 -9.607 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.456 0.164 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 118 13.526 1.284 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.945 -1.227 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.754 0.280 -6.790 1.00 0.00 H new ATOM 1781 N GLY A 119 11.749 -3.347 -7.498 1.00 0.00 N ATOM 1782 CA GLY A 119 11.127 -4.644 -7.693 1.00 0.00 C ATOM 1783 C GLY A 119 10.332 -5.024 -6.460 1.00 0.00 C ATOM 1784 O GLY A 119 9.229 -5.577 -6.545 1.00 0.00 O ATOM 0 H GLY A 119 12.667 -3.371 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.473 -4.616 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.890 -5.397 -7.891 1.00 0.00 H new ATOM 1788 N LEU A 120 10.893 -4.680 -5.315 1.00 0.00 N ATOM 1789 CA LEU A 120 10.255 -4.920 -4.012 1.00 0.00 C ATOM 1790 C LEU A 120 8.953 -4.123 -3.970 1.00 0.00 C ATOM 1791 O LEU A 120 7.860 -4.680 -3.798 1.00 0.00 O ATOM 1792 CB LEU A 120 11.192 -4.439 -2.880 1.00 0.00 C ATOM 1793 CG LEU A 120 10.661 -4.579 -1.441 1.00 0.00 C ATOM 1794 CD1 LEU A 120 10.404 -6.033 -1.086 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.619 -3.950 -0.440 1.00 0.00 C ATOM 0 H LEU A 120 11.804 -4.226 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 120 10.055 -5.983 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.128 -4.993 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.428 -3.390 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 120 9.712 -4.045 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.030 -6.097 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.664 -6.449 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.333 -6.597 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.219 -4.064 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.588 -4.445 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.737 -2.890 -0.666 1.00 0.00 H new ATOM 1807 N PHE A 121 9.086 -2.810 -4.194 1.00 0.00 N ATOM 1808 CA PHE A 121 7.914 -1.941 -4.189 1.00 0.00 C ATOM 1809 C PHE A 121 6.929 -2.300 -5.312 1.00 0.00 C ATOM 1810 O PHE A 121 5.721 -2.233 -5.106 1.00 0.00 O ATOM 1811 CB PHE A 121 8.272 -0.451 -4.232 1.00 0.00 C ATOM 1812 CG PHE A 121 7.062 0.443 -4.154 1.00 0.00 C ATOM 1813 CD1 PHE A 121 6.343 0.557 -2.973 1.00 0.00 C ATOM 1814 CD2 PHE A 121 6.630 1.143 -5.259 1.00 0.00 C ATOM 1815 CE1 PHE A 121 5.222 1.360 -2.902 1.00 0.00 C ATOM 1816 CE2 PHE A 121 5.510 1.945 -5.195 1.00 0.00 C ATOM 1817 CZ PHE A 121 4.805 2.055 -4.015 1.00 0.00 C ATOM 0 H PHE A 121 9.972 -2.339 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 121 7.419 -2.120 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 121 8.943 -0.219 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 121 8.816 -0.239 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 121 6.664 0.011 -2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.176 1.063 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.673 1.443 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 121 5.185 2.488 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 121 3.929 2.684 -3.964 1.00 0.00 H new ATOM 1827 N ALA A 122 7.443 -2.707 -6.487 1.00 0.00 N ATOM 1828 CA ALA A 122 6.569 -3.105 -7.606 1.00 0.00 C ATOM 1829 C ALA A 122 5.590 -4.185 -7.183 1.00 0.00 C ATOM 1830 O ALA A 122 4.405 -4.138 -7.530 1.00 0.00 O ATOM 1831 CB ALA A 122 7.379 -3.612 -8.789 1.00 0.00 C ATOM 0 H ALA A 122 8.442 -2.769 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 122 6.017 -2.214 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.704 -3.897 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 122 8.048 -2.825 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.966 -4.478 -8.484 1.00 0.00 H new ATOM 1837 N GLN A 123 6.080 -5.143 -6.419 1.00 0.00 N ATOM 1838 CA GLN A 123 5.261 -6.242 -5.991 1.00 0.00 C ATOM 1839 C GLN A 123 4.257 -5.833 -4.921 1.00 0.00 C ATOM 1840 O GLN A 123 3.113 -6.241 -4.978 1.00 0.00 O ATOM 1841 CB GLN A 123 6.106 -7.442 -5.550 1.00 0.00 C ATOM 1842 CG GLN A 123 6.987 -8.022 -6.655 1.00 0.00 C ATOM 1843 CD GLN A 123 6.216 -8.450 -7.913 1.00 0.00 C ATOM 1844 OE1 GLN A 123 4.982 -8.875 -7.756 1.00 0.00 O flip ATOM 1845 NE2 GLN A 123 6.741 -8.398 -9.015 1.00 0.00 N flip ATOM 0 H GLN A 123 7.044 -5.175 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 123 4.681 -6.556 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.739 -7.140 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.443 -8.224 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.735 -7.280 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.525 -8.884 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.700 -8.064 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.220 -8.689 -9.842 1.00 0.00 H new ATOM 1854 N ILE A 124 4.665 -5.002 -3.966 1.00 0.00 N ATOM 1855 CA ILE A 124 3.722 -4.586 -2.914 1.00 0.00 C ATOM 1856 C ILE A 124 2.707 -3.563 -3.388 1.00 0.00 C ATOM 1857 O ILE A 124 1.587 -3.563 -2.914 1.00 0.00 O ATOM 1858 CB ILE A 124 4.368 -4.139 -1.574 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.590 -3.249 -1.809 1.00 0.00 C ATOM 1860 CG2 ILE A 124 4.678 -5.328 -0.665 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.221 -2.722 -0.545 1.00 0.00 C ATOM 0 H ILE A 124 5.604 -4.612 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 124 3.194 -5.513 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 124 3.633 -3.532 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.336 -3.815 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.297 -2.406 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 124 5.129 -4.970 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.755 -5.862 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.371 -6.001 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.080 -2.101 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.492 -2.126 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 124 6.548 -3.557 0.074 1.00 0.00 H new ATOM 1873 N GLN A 125 3.096 -2.696 -4.320 1.00 0.00 N ATOM 1874 CA GLN A 125 2.171 -1.741 -4.898 1.00 0.00 C ATOM 1875 C GLN A 125 1.053 -2.486 -5.594 1.00 0.00 C ATOM 1876 O GLN A 125 -0.142 -2.208 -5.382 1.00 0.00 O ATOM 1877 CB GLN A 125 2.851 -0.850 -5.923 1.00 0.00 C ATOM 1878 CG GLN A 125 1.912 0.217 -6.435 1.00 0.00 C ATOM 1879 CD GLN A 125 2.450 1.079 -7.547 1.00 0.00 C ATOM 1880 OE1 GLN A 125 3.653 1.298 -7.685 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.552 1.606 -8.327 1.00 0.00 N ATOM 0 H GLN A 125 4.046 -2.640 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 125 1.789 -1.120 -4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.727 -0.381 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.205 -1.456 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.998 -0.265 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.635 0.862 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.564 1.400 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.836 2.226 -9.086 1.00 0.00 H new ATOM 1890 N ALA A 126 1.455 -3.462 -6.406 1.00 0.00 N ATOM 1891 CA ALA A 126 0.521 -4.282 -7.128 1.00 0.00 C ATOM 1892 C ALA A 126 -0.341 -5.049 -6.153 1.00 0.00 C ATOM 1893 O ALA A 126 -1.552 -5.098 -6.302 1.00 0.00 O ATOM 1894 CB ALA A 126 1.256 -5.238 -8.048 1.00 0.00 C ATOM 0 H ALA A 126 2.434 -3.695 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.115 -3.641 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.534 -5.851 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.853 -4.670 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.909 -5.881 -7.458 1.00 0.00 H new ATOM 1900 N ALA A 127 0.289 -5.557 -5.107 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.392 -6.374 -4.128 1.00 0.00 C ATOM 1902 C ALA A 127 -1.438 -5.566 -3.413 1.00 0.00 C ATOM 1903 O ALA A 127 -2.561 -6.038 -3.195 1.00 0.00 O ATOM 1904 CB ALA A 127 0.602 -6.963 -3.139 1.00 0.00 C ATOM 0 H ALA A 127 1.281 -5.414 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.885 -7.197 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.071 -7.575 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.324 -7.580 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.124 -6.157 -2.624 1.00 0.00 H new ATOM 1910 N ALA A 128 -1.085 -4.328 -3.105 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.949 -3.449 -2.395 1.00 0.00 C ATOM 1912 C ALA A 128 -3.216 -3.169 -3.154 1.00 0.00 C ATOM 1913 O ALA A 128 -4.214 -3.585 -2.746 1.00 0.00 O ATOM 1914 CB ALA A 128 -1.239 -2.157 -2.033 1.00 0.00 C ATOM 0 H ALA A 128 -0.183 -3.919 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.229 -3.955 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.924 -1.505 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.376 -2.380 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.906 -1.658 -2.943 1.00 0.00 H new ATOM 1920 N THR A 129 -3.134 -2.574 -4.298 1.00 0.00 N ATOM 1921 CA THR A 129 -4.385 -2.157 -5.001 1.00 0.00 C ATOM 1922 C THR A 129 -5.299 -3.388 -5.326 1.00 0.00 C ATOM 1923 O THR A 129 -6.588 -3.385 -5.121 1.00 0.00 O ATOM 1924 CB THR A 129 -4.075 -1.280 -6.274 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.261 -1.012 -7.031 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.029 -1.929 -7.167 1.00 0.00 C ATOM 0 H THR A 129 -2.264 -2.354 -4.784 1.00 0.00 H new ATOM 0 HA THR A 129 -4.949 -1.521 -4.319 1.00 0.00 H new ATOM 0 HB THR A 129 -3.675 -0.335 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.033 -0.936 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.844 -1.293 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.103 -2.058 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.389 -2.902 -7.502 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.614 -4.487 -5.627 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.227 -5.737 -6.053 1.00 0.00 C ATOM 1936 C LYS A 130 -6.038 -6.322 -4.960 1.00 0.00 C ATOM 1937 O LYS A 130 -6.981 -7.027 -5.194 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.165 -6.723 -6.491 1.00 0.00 C ATOM 1939 CG LYS A 130 -3.961 -6.818 -7.993 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.506 -5.505 -8.606 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.427 -5.598 -10.120 1.00 0.00 C ATOM 1942 NZ LYS A 130 -4.767 -5.774 -10.727 1.00 0.00 N ATOM 0 H LYS A 130 -3.596 -4.533 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.882 -5.523 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.219 -6.445 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.428 -7.710 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -3.222 -7.590 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.893 -7.130 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -4.198 -4.711 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.529 -5.234 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -2.963 -4.695 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -2.787 -6.435 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.717 -5.565 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.084 -6.755 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -5.442 -5.126 -10.273 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.620 -6.041 -3.791 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.283 -6.358 -2.587 1.00 0.00 C ATOM 1958 C ALA A 131 -7.307 -5.285 -2.301 1.00 0.00 C ATOM 1959 O ALA A 131 -8.518 -5.572 -2.264 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.217 -6.381 -1.559 1.00 0.00 C ATOM 0 H ALA A 131 -4.741 -5.547 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.813 -7.310 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.652 -6.621 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.475 -7.135 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.738 -5.403 -1.510 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.834 -4.040 -2.275 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.556 -2.844 -1.851 1.00 0.00 C ATOM 1968 C TRP A 132 -8.665 -2.391 -2.823 1.00 0.00 C ATOM 1969 O TRP A 132 -8.960 -1.210 -2.953 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.626 -1.652 -1.532 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.654 -1.910 -0.428 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -5.110 -3.085 -0.149 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -5.116 -0.996 0.536 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.203 -2.995 0.784 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.180 -1.734 1.264 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.286 0.369 0.848 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.428 -1.187 2.248 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.537 0.888 1.837 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.619 0.117 2.513 1.00 0.00 C ATOM 0 H TRP A 132 -5.880 -3.828 -2.567 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.043 -3.161 -0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -6.073 -1.386 -2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.238 -0.789 -1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.385 -4.009 -0.637 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.605 -3.758 1.101 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.996 0.979 0.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.706 -1.773 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.658 1.927 2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -3.027 0.579 3.289 1.00 0.00 H new ATOM 1990 N ARG A 133 -9.218 -3.301 -3.541 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.448 -3.039 -4.256 1.00 0.00 C ATOM 1992 C ARG A 133 -11.726 -3.848 -3.825 1.00 0.00 C ATOM 1993 O ARG A 133 -12.780 -3.251 -3.668 1.00 0.00 O ATOM 1994 CB ARG A 133 -10.251 -3.009 -5.796 1.00 0.00 C ATOM 1995 CG ARG A 133 -11.547 -2.922 -6.638 1.00 0.00 C ATOM 1996 CD ARG A 133 -12.257 -4.259 -6.718 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.753 -4.171 -6.566 1.00 0.00 N ATOM 1998 CZ ARG A 133 -14.622 -5.050 -7.087 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -14.256 -5.839 -8.089 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.867 -5.117 -6.615 1.00 0.00 N ATOM 0 H ARG A 133 -8.848 -4.244 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.693 -2.031 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.619 -2.157 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.707 -3.906 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -12.216 -2.181 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -11.305 -2.578 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -12.027 -4.724 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.862 -4.915 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 133 -14.131 -3.390 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.310 -5.779 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.920 -6.506 -8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -16.159 -4.500 -5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -16.527 -5.786 -7.012 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.603 -5.185 -3.645 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.782 -6.185 -3.773 1.00 0.00 C ATOM 2016 C LYS A 134 -14.048 -6.088 -2.914 1.00 0.00 C ATOM 2017 O LYS A 134 -14.595 -7.113 -2.506 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.387 -7.649 -3.933 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.720 -7.972 -5.256 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.329 -7.445 -5.302 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.498 -8.134 -4.268 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.602 -9.149 -4.892 1.00 0.00 N ATOM 0 H LYS A 134 -10.717 -5.632 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 134 -13.119 -5.745 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.712 -7.922 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.278 -8.268 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.707 -9.052 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.301 -7.544 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -9.902 -7.604 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.331 -6.370 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.901 -7.400 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -10.147 -8.617 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.446 -9.931 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.044 -9.516 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -7.690 -8.709 -5.128 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.522 -4.944 -2.679 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.723 -4.773 -1.907 1.00 0.00 C ATOM 2038 C LEU A 135 -16.953 -4.769 -2.802 1.00 0.00 C ATOM 2039 O LEU A 135 -16.838 -4.576 -4.023 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.615 -3.497 -1.093 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.971 -3.622 0.297 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.671 -4.360 0.228 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.688 -2.266 0.839 1.00 0.00 C ATOM 0 H LEU A 135 -14.104 -4.074 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.837 -5.614 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.042 -2.772 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.617 -3.086 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.668 -4.166 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.240 -4.432 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.842 -5.362 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.983 -3.825 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.231 -2.356 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.006 -1.742 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.619 -1.705 0.920 1.00 0.00 H new ATOM 2055 N PRO A 136 -18.134 -5.046 -2.233 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.383 -5.023 -2.975 1.00 0.00 C ATOM 2057 C PRO A 136 -19.905 -3.574 -3.171 1.00 0.00 C ATOM 2058 O PRO A 136 -19.165 -2.689 -3.568 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.308 -5.855 -2.076 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.832 -5.565 -0.704 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.343 -5.449 -0.819 1.00 0.00 C ATOM 0 HA PRO A 136 -19.300 -5.415 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -21.352 -5.569 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.238 -6.918 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -20.270 -4.643 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -20.112 -6.361 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.944 -4.707 -0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.848 -6.394 -0.594 1.00 0.00 H new ATOM 2069 N VAL A 137 -21.132 -3.318 -2.792 1.00 0.00 N ATOM 2070 CA VAL A 137 -21.769 -2.068 -3.105 1.00 0.00 C ATOM 2071 C VAL A 137 -22.204 -1.414 -1.809 1.00 0.00 C ATOM 2072 O VAL A 137 -22.620 -2.114 -0.876 1.00 0.00 O ATOM 2073 CB VAL A 137 -23.007 -2.289 -4.025 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -23.688 -0.985 -4.349 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -22.609 -2.995 -5.312 1.00 0.00 C ATOM 0 H VAL A 137 -21.713 -3.967 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 137 -21.065 -1.428 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 137 -23.708 -2.920 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -24.548 -1.173 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -24.022 -0.510 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -22.988 -0.327 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -23.491 -3.137 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.878 -2.389 -5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -22.172 -3.965 -5.075 1.00 0.00 H new ATOM 2085 N LYS A 138 -22.041 -0.108 -1.711 1.00 0.00 N ATOM 2086 CA LYS A 138 -22.507 0.625 -0.541 1.00 0.00 C ATOM 2087 C LYS A 138 -24.005 0.865 -0.664 1.00 0.00 C ATOM 2088 O LYS A 138 -24.755 0.643 0.281 1.00 0.00 O ATOM 2089 CB LYS A 138 -21.771 1.957 -0.413 1.00 0.00 C ATOM 2090 CG LYS A 138 -20.276 1.821 -0.168 1.00 0.00 C ATOM 2091 CD LYS A 138 -19.945 1.372 1.239 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.228 2.479 2.244 1.00 0.00 C ATOM 2093 NZ LYS A 138 -19.919 2.067 3.617 1.00 0.00 N ATOM 0 H LYS A 138 -21.592 0.468 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 138 -22.303 0.036 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -21.928 2.535 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -22.212 2.526 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -19.861 1.106 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -19.793 2.779 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -20.532 0.489 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -18.895 1.084 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.639 3.360 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -21.277 2.768 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -20.126 2.850 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -20.499 1.242 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -18.912 1.816 3.686 1.00 0.00 H new ATOM 2107 N GLY A 139 -24.418 1.315 -1.820 1.00 0.00 N ATOM 2108 CA GLY A 139 -25.806 1.528 -2.076 1.00 0.00 C ATOM 2109 C GLY A 139 -26.041 2.904 -2.603 1.00 0.00 C ATOM 2110 O GLY A 139 -25.160 3.480 -3.260 1.00 0.00 O ATOM 0 H GLY A 139 -23.802 1.541 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -26.165 0.792 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -26.376 1.382 -1.159 1.00 0.00 H new ATOM 2114 N ASP A 140 -27.186 3.434 -2.303 1.00 0.00 N ATOM 2115 CA ASP A 140 -27.574 4.745 -2.712 1.00 0.00 C ATOM 2116 C ASP A 140 -28.258 5.370 -1.534 1.00 0.00 C ATOM 2117 O ASP A 140 -27.613 6.135 -0.796 1.00 0.00 O ATOM 2118 CB ASP A 140 -28.521 4.734 -3.929 1.00 0.00 C ATOM 2119 CG ASP A 140 -27.897 4.174 -5.181 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -27.199 4.921 -5.910 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -28.099 2.976 -5.483 1.00 0.00 O ATOM 2122 OXT ASP A 140 -29.421 4.998 -1.257 1.00 0.00 O ATOM 0 H ASP A 140 -27.895 2.952 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 140 -26.693 5.306 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -29.407 4.149 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -28.856 5.752 -4.126 1.00 0.00 H new TER 2127 ASP A 140