USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=34 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 104 SER OG : rot -163:sc= 1.25 USER MOD Set 1.2: A 106 ASN : amide:sc= 1.19 K(o=2.4,f=0.49) 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= -0.745 X(o=-0.74,f=-0.54) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.125 F(o=-0.95,f=-0.12) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.0189 F(o=-1.2,f=-0.019) USER MOD Single : A 16 HIS : no HD1:sc= -0.385! C(o=-0.39!,f=-4.6!) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0992 F(o=-1.4!,f=-0.099) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 94:sc= 0.985 USER MOD Single : A 40 TYR OH : rot 150:sc= 0 USER MOD Single : A 41 THR OG1 : rot 177:sc= 0.406 USER MOD Single : A 47 SER OG : rot 80:sc= 1.02 USER MOD Single : A 51 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.8) USER MOD Single : A 54 THR OG1 : rot -69:sc= 1.04 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00296 X(o=-0.003,f=-0.46) USER MOD Single : A 60 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.915 K(o=0.92,f=-5.1!) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 1.31 (180deg=0.372) USER MOD Single : A 76 SER OG : rot -75:sc= 1.29 USER MOD Single : A 81 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.91) USER MOD Single : A 82 CYS SG : rot 84:sc= 0.378 USER MOD Single : A 85 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.201! K(o=-0.2!,f=-1.6) USER MOD Single : A 90 GLN : amide:sc= 1.72 K(o=1.7,f=-0.52) USER MOD Single : A 91 GLN : amide:sc= 0.155 X(o=0.15,f=-0.3) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 100 MET CE :methyl -157:sc= 0 (180deg=-0.326) USER MOD Single : A 102 THR OG1 : rot -102:sc= 0.181 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -75:sc= 1.55 USER MOD Single : A 109 SER OG : rot 180:sc= -0.224 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 113 GLN :FLIP amide:sc= 0.0641 F(o=-5!,f=0.064) USER MOD Single : A 114 MET CE :methyl 161:sc= 0 (180deg=-0.0616) USER MOD Single : A 115 GLN : amide:sc= -0.783 X(o=-0.78,f=-0.29) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.01 K(o=1,f=-0.36) USER MOD Single : A 125 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.66) USER MOD Single : A 129 THR OG1 : rot -130:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 177:sc= 0.271 (180deg=0.236) USER MOD Single : A 138 LYS NZ :NH3+ -173:sc= 0.0228 (180deg=-0.0214) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.917 9.734 1.341 1.00 0.00 N ATOM 2 CA PRO A 1 4.475 8.779 2.287 1.00 0.00 C ATOM 3 C PRO A 1 6.016 8.761 2.233 1.00 0.00 C ATOM 4 O PRO A 1 6.677 9.026 3.210 1.00 0.00 O ATOM 5 CB PRO A 1 3.900 7.414 1.993 1.00 0.00 C ATOM 6 CG PRO A 1 2.767 7.707 1.060 1.00 0.00 C ATOM 7 CD PRO A 1 3.108 9.009 0.363 1.00 0.00 C ATOM 0 H2 PRO A 1 4.665 10.245 0.872 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.346 10.424 1.830 1.00 0.00 H new ATOM 0 HA PRO A 1 4.204 9.078 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.639 6.757 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.555 6.920 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.642 6.901 0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.828 7.794 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.660 8.834 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.210 9.566 0.097 1.00 0.00 H new ATOM 17 N VAL A 2 6.593 8.448 1.102 1.00 0.00 N ATOM 18 CA VAL A 2 8.046 8.431 0.964 1.00 0.00 C ATOM 19 C VAL A 2 8.448 9.246 -0.252 1.00 0.00 C ATOM 20 O VAL A 2 7.907 9.048 -1.342 1.00 0.00 O ATOM 21 CB VAL A 2 8.628 6.978 0.846 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.141 6.991 0.625 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.303 6.164 2.087 1.00 0.00 C ATOM 0 H VAL A 2 6.086 8.199 0.253 1.00 0.00 H new ATOM 0 HA VAL A 2 8.463 8.869 1.871 1.00 0.00 H new ATOM 0 HB VAL A 2 8.158 6.515 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.506 5.967 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.370 7.528 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.627 7.488 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.716 5.161 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.738 6.646 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.222 6.100 2.207 1.00 0.00 H new ATOM 33 N THR A 3 9.348 10.171 -0.057 1.00 0.00 N ATOM 34 CA THR A 3 9.823 10.999 -1.121 1.00 0.00 C ATOM 35 C THR A 3 11.330 10.798 -1.256 1.00 0.00 C ATOM 36 O THR A 3 12.004 10.416 -0.271 1.00 0.00 O ATOM 37 CB THR A 3 9.462 12.498 -0.866 1.00 0.00 C ATOM 38 OG1 THR A 3 9.785 13.292 -2.015 1.00 0.00 O ATOM 39 CG2 THR A 3 10.190 13.048 0.360 1.00 0.00 C ATOM 0 H THR A 3 9.771 10.369 0.850 1.00 0.00 H new ATOM 0 HA THR A 3 9.339 10.716 -2.056 1.00 0.00 H new ATOM 0 HB THR A 3 8.389 12.550 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.552 14.228 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.916 14.093 0.508 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.908 12.471 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.267 12.974 0.208 1.00 0.00 H new ATOM 47 N GLU A 4 11.869 11.018 -2.435 1.00 0.00 N ATOM 48 CA GLU A 4 13.265 10.790 -2.649 1.00 0.00 C ATOM 49 C GLU A 4 14.035 12.080 -2.892 1.00 0.00 C ATOM 50 O GLU A 4 13.561 13.032 -3.533 1.00 0.00 O ATOM 51 CB GLU A 4 13.535 9.768 -3.765 1.00 0.00 C ATOM 52 CG GLU A 4 13.215 10.227 -5.190 1.00 0.00 C ATOM 53 CD GLU A 4 11.753 10.549 -5.425 1.00 0.00 C ATOM 54 OE1 GLU A 4 11.344 11.682 -5.151 1.00 0.00 O ATOM 55 OE2 GLU A 4 10.998 9.680 -5.892 1.00 0.00 O ATOM 0 H GLU A 4 11.357 11.353 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 4 13.636 10.358 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.587 9.485 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.954 8.870 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.811 11.111 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.521 9.448 -5.888 1.00 0.00 H new ATOM 62 N THR A 5 15.147 12.110 -2.304 1.00 0.00 N ATOM 63 CA THR A 5 16.110 13.136 -2.430 1.00 0.00 C ATOM 64 C THR A 5 17.371 12.498 -3.048 1.00 0.00 C ATOM 65 O THR A 5 17.575 11.318 -2.923 1.00 0.00 O ATOM 66 CB THR A 5 16.372 13.755 -1.025 1.00 0.00 C ATOM 67 OG1 THR A 5 17.517 14.608 -0.996 1.00 0.00 O ATOM 68 CG2 THR A 5 16.452 12.678 0.059 1.00 0.00 C ATOM 0 H THR A 5 15.444 11.368 -1.670 1.00 0.00 H new ATOM 0 HA THR A 5 15.777 13.948 -3.076 1.00 0.00 H new ATOM 0 HB THR A 5 15.511 14.387 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.633 14.969 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.636 13.147 1.025 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.512 12.128 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.266 11.990 -0.171 1.00 0.00 H new ATOM 76 N VAL A 6 18.139 13.249 -3.752 1.00 0.00 N ATOM 77 CA VAL A 6 19.316 12.719 -4.430 1.00 0.00 C ATOM 78 C VAL A 6 20.542 13.520 -4.102 1.00 0.00 C ATOM 79 O VAL A 6 20.540 14.757 -4.164 1.00 0.00 O ATOM 80 CB VAL A 6 19.136 12.588 -5.983 1.00 0.00 C ATOM 81 CG1 VAL A 6 18.203 11.440 -6.335 1.00 0.00 C ATOM 82 CG2 VAL A 6 18.598 13.879 -6.585 1.00 0.00 C ATOM 0 H VAL A 6 17.989 14.249 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 6 19.447 11.706 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 6 20.121 12.384 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 6 18.099 11.375 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 6 18.615 10.506 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.225 11.615 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.484 13.758 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.630 14.112 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.295 14.693 -6.383 1.00 0.00 H new ATOM 92 N ASP A 7 21.580 12.817 -3.729 1.00 0.00 N ATOM 93 CA ASP A 7 22.845 13.437 -3.434 1.00 0.00 C ATOM 94 C ASP A 7 23.634 13.452 -4.717 1.00 0.00 C ATOM 95 O ASP A 7 23.499 12.509 -5.532 1.00 0.00 O ATOM 96 CB ASP A 7 23.591 12.677 -2.326 1.00 0.00 C ATOM 97 CG ASP A 7 24.972 13.229 -2.036 1.00 0.00 C ATOM 98 OD1 ASP A 7 25.091 14.324 -1.482 1.00 0.00 O ATOM 99 OD2 ASP A 7 25.968 12.560 -2.366 1.00 0.00 O ATOM 0 H ASP A 7 21.572 11.803 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 7 22.701 14.451 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 7 22.997 12.708 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 7 23.680 11.629 -2.613 1.00 0.00 H new ATOM 104 N GLY A 8 24.419 14.497 -4.923 1.00 0.00 N ATOM 105 CA GLY A 8 25.147 14.704 -6.172 1.00 0.00 C ATOM 106 C GLY A 8 26.276 13.722 -6.430 1.00 0.00 C ATOM 107 O GLY A 8 27.449 14.094 -6.425 1.00 0.00 O ATOM 0 H GLY A 8 24.572 15.229 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 8 24.440 14.647 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.557 15.714 -6.172 1.00 0.00 H new ATOM 111 N GLN A 9 25.909 12.481 -6.620 1.00 0.00 N ATOM 112 CA GLN A 9 26.809 11.410 -6.997 1.00 0.00 C ATOM 113 C GLN A 9 25.991 10.229 -7.550 1.00 0.00 C ATOM 114 O GLN A 9 26.522 9.139 -7.783 1.00 0.00 O ATOM 115 CB GLN A 9 27.699 10.954 -5.812 1.00 0.00 C ATOM 116 CG GLN A 9 26.955 10.350 -4.622 1.00 0.00 C ATOM 117 CD GLN A 9 27.901 9.893 -3.516 1.00 0.00 C ATOM 118 OE1 GLN A 9 28.968 10.457 -3.326 1.00 0.00 O ATOM 119 NE2 GLN A 9 27.522 8.884 -2.779 1.00 0.00 N ATOM 0 H GLN A 9 24.943 12.173 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 9 27.481 11.784 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 9 28.415 10.220 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 9 28.273 11.811 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 9 26.259 11.087 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 9 26.360 9.502 -4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 9 26.626 8.430 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 9 28.122 8.550 -2.025 1.00 0.00 H new ATOM 128 N GLY A 10 24.699 10.471 -7.801 1.00 0.00 N ATOM 129 CA GLY A 10 23.814 9.420 -8.271 1.00 0.00 C ATOM 130 C GLY A 10 23.239 8.635 -7.120 1.00 0.00 C ATOM 131 O GLY A 10 23.087 7.414 -7.194 1.00 0.00 O ATOM 0 H GLY A 10 24.254 11.381 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.005 9.857 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.361 8.750 -8.934 1.00 0.00 H new ATOM 135 N GLN A 11 22.921 9.333 -6.062 1.00 0.00 N ATOM 136 CA GLN A 11 22.423 8.726 -4.858 1.00 0.00 C ATOM 137 C GLN A 11 21.022 9.062 -4.611 1.00 0.00 C ATOM 138 O GLN A 11 20.682 10.211 -4.625 1.00 0.00 O ATOM 139 CB GLN A 11 23.167 9.259 -3.680 1.00 0.00 C ATOM 140 CG GLN A 11 24.177 8.345 -3.135 1.00 0.00 C ATOM 141 CD GLN A 11 23.596 7.031 -2.646 1.00 0.00 C ATOM 142 OE1 GLN A 11 22.370 7.060 -2.157 1.00 0.00 O flip ATOM 143 NE2 GLN A 11 24.261 6.010 -2.681 1.00 0.00 N flip ATOM 0 H GLN A 11 23.001 10.349 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 11 22.544 7.650 -4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 11 23.655 10.191 -3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 11 22.452 9.501 -2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 11 24.924 8.141 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 11 24.693 8.835 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 11 25.205 6.029 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 11 23.873 5.136 -2.324 1.00 0.00 H new ATOM 152 N ALA A 12 20.235 8.088 -4.320 1.00 0.00 N ATOM 153 CA ALA A 12 18.916 8.341 -3.899 1.00 0.00 C ATOM 154 C ALA A 12 18.794 8.037 -2.406 1.00 0.00 C ATOM 155 O ALA A 12 19.197 6.978 -1.928 1.00 0.00 O ATOM 156 CB ALA A 12 17.912 7.575 -4.733 1.00 0.00 C ATOM 0 H ALA A 12 20.491 7.102 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 12 18.685 9.395 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.904 7.794 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.004 7.873 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.104 6.506 -4.642 1.00 0.00 H new ATOM 162 N TRP A 13 18.328 9.007 -1.706 1.00 0.00 N ATOM 163 CA TRP A 13 18.056 8.958 -0.293 1.00 0.00 C ATOM 164 C TRP A 13 16.599 9.235 -0.160 1.00 0.00 C ATOM 165 O TRP A 13 16.008 9.823 -1.048 1.00 0.00 O ATOM 166 CB TRP A 13 18.848 10.010 0.470 1.00 0.00 C ATOM 167 CG TRP A 13 20.313 9.806 0.482 1.00 0.00 C ATOM 168 CD1 TRP A 13 21.163 9.999 -0.553 1.00 0.00 C ATOM 169 CD2 TRP A 13 21.106 9.405 1.598 1.00 0.00 C ATOM 170 NE1 TRP A 13 22.453 9.738 -0.156 1.00 0.00 N ATOM 171 CE2 TRP A 13 22.442 9.373 1.165 1.00 0.00 C ATOM 172 CE3 TRP A 13 20.815 9.066 2.924 1.00 0.00 C ATOM 173 CZ2 TRP A 13 23.488 9.021 2.011 1.00 0.00 C ATOM 174 CZ3 TRP A 13 21.850 8.716 3.762 1.00 0.00 C ATOM 175 CH2 TRP A 13 23.172 8.696 3.302 1.00 0.00 C ATOM 0 H TRP A 13 18.109 9.915 -2.117 1.00 0.00 H new ATOM 0 HA TRP A 13 18.342 7.991 0.122 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.636 10.987 0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 13 18.492 10.035 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 13 20.871 10.312 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.282 9.805 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.797 9.079 3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 24.510 9.005 1.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 21.639 8.453 4.788 1.00 0.00 H new ATOM 0 HH2 TRP A 13 23.962 8.417 3.983 1.00 0.00 H new ATOM 186 N ARG A 14 15.985 8.779 0.856 1.00 0.00 N ATOM 187 CA ARG A 14 14.562 8.914 0.941 1.00 0.00 C ATOM 188 C ARG A 14 14.179 9.422 2.270 1.00 0.00 C ATOM 189 O ARG A 14 14.904 9.227 3.246 1.00 0.00 O ATOM 190 CB ARG A 14 13.847 7.584 0.666 1.00 0.00 C ATOM 191 CG ARG A 14 14.065 6.982 -0.732 1.00 0.00 C ATOM 192 CD ARG A 14 15.490 6.474 -0.900 1.00 0.00 C ATOM 193 NE ARG A 14 15.802 6.042 -2.249 1.00 0.00 N ATOM 194 CZ ARG A 14 16.483 4.930 -2.550 1.00 0.00 C ATOM 195 NH1 ARG A 14 17.159 4.300 -1.605 1.00 0.00 N ATOM 196 NH2 ARG A 14 16.567 4.510 -3.808 1.00 0.00 N ATOM 0 H ARG A 14 16.428 8.309 1.645 1.00 0.00 H new ATOM 0 HA ARG A 14 14.253 9.625 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.175 6.857 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.777 7.731 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.364 6.163 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.853 7.735 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.184 7.264 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.652 5.642 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 14 15.480 6.626 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.160 4.662 -0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.680 3.452 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.110 5.036 -4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.088 3.661 -4.029 1.00 0.00 H new ATOM 210 N HIS A 15 13.084 10.119 2.311 1.00 0.00 N ATOM 211 CA HIS A 15 12.554 10.658 3.543 1.00 0.00 C ATOM 212 C HIS A 15 11.099 10.305 3.648 1.00 0.00 C ATOM 213 O HIS A 15 10.405 10.237 2.624 1.00 0.00 O ATOM 214 CB HIS A 15 12.761 12.182 3.657 1.00 0.00 C ATOM 215 CG HIS A 15 14.182 12.615 3.938 1.00 0.00 C ATOM 216 ND1 HIS A 15 15.363 12.169 3.441 1.00 0.00 N flip ATOM 217 CD2 HIS A 15 14.505 13.649 4.791 1.00 0.00 C flip ATOM 218 CE1 HIS A 15 16.348 12.930 3.988 1.00 0.00 C flip ATOM 219 NE2 HIS A 15 15.810 13.815 4.799 1.00 0.00 N flip ATOM 0 H HIS A 15 12.523 10.336 1.487 1.00 0.00 H new ATOM 0 HA HIS A 15 13.103 10.213 4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.432 12.649 2.728 1.00 0.00 H new ATOM 0 HB3 HIS A 15 12.118 12.562 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.798 14.231 5.363 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.404 12.825 3.788 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.319 14.512 5.342 1.00 0.00 H new ATOM 228 N HIS A 16 10.645 10.059 4.839 1.00 0.00 N ATOM 229 CA HIS A 16 9.273 9.657 5.044 1.00 0.00 C ATOM 230 C HIS A 16 8.449 10.856 5.460 1.00 0.00 C ATOM 231 O HIS A 16 8.836 11.636 6.319 1.00 0.00 O ATOM 232 CB HIS A 16 9.174 8.516 6.102 1.00 0.00 C ATOM 233 CG HIS A 16 7.779 7.900 6.269 1.00 0.00 C ATOM 234 ND1 HIS A 16 6.935 8.189 7.320 1.00 0.00 N ATOM 235 CD2 HIS A 16 7.110 6.987 5.511 1.00 0.00 C ATOM 236 CE1 HIS A 16 5.823 7.486 7.193 1.00 0.00 C ATOM 237 NE2 HIS A 16 5.908 6.757 6.109 1.00 0.00 N ATOM 0 H HIS A 16 11.201 10.128 5.691 1.00 0.00 H new ATOM 0 HA HIS A 16 8.878 9.265 4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.872 7.726 5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 16 9.499 8.907 7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.468 6.529 4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.983 7.509 7.871 1.00 0.00 H new ATOM 0 HE2 HIS A 16 5.189 6.119 5.767 1.00 0.00 H new ATOM 246 N ASN A 17 7.333 10.960 4.840 1.00 0.00 N ATOM 247 CA ASN A 17 6.341 11.963 5.099 1.00 0.00 C ATOM 248 C ASN A 17 5.112 11.196 5.481 1.00 0.00 C ATOM 249 O ASN A 17 5.121 9.963 5.408 1.00 0.00 O ATOM 250 CB ASN A 17 6.040 12.793 3.822 1.00 0.00 C ATOM 251 CG ASN A 17 7.182 13.700 3.393 1.00 0.00 C ATOM 252 OD1 ASN A 17 7.962 14.175 4.215 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.290 13.953 2.109 1.00 0.00 N ATOM 0 H ASN A 17 7.062 10.318 4.095 1.00 0.00 H new ATOM 0 HA ASN A 17 6.673 12.659 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.804 12.111 3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.152 13.401 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.037 14.559 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.627 13.544 1.451 1.00 0.00 H new ATOM 260 N GLY A 18 4.076 11.856 5.874 1.00 0.00 N ATOM 261 CA GLY A 18 2.868 11.146 6.167 1.00 0.00 C ATOM 262 C GLY A 18 2.019 11.069 4.939 1.00 0.00 C ATOM 263 O GLY A 18 2.527 10.794 3.824 1.00 0.00 O ATOM 0 H GLY A 18 4.035 12.867 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.102 10.143 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.324 11.649 6.966 1.00 0.00 H new ATOM 267 N PHE A 19 0.768 11.318 5.091 1.00 0.00 N ATOM 268 CA PHE A 19 -0.106 11.327 3.966 1.00 0.00 C ATOM 269 C PHE A 19 -0.557 12.699 3.670 1.00 0.00 C ATOM 270 O PHE A 19 -0.625 13.555 4.563 1.00 0.00 O ATOM 271 CB PHE A 19 -1.333 10.450 4.168 1.00 0.00 C ATOM 272 CG PHE A 19 -1.056 8.994 4.181 1.00 0.00 C ATOM 273 CD1 PHE A 19 -0.817 8.317 2.998 1.00 0.00 C ATOM 274 CD2 PHE A 19 -1.060 8.294 5.359 1.00 0.00 C ATOM 275 CE1 PHE A 19 -0.585 6.967 3.002 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.828 6.949 5.369 1.00 0.00 C ATOM 277 CZ PHE A 19 -0.592 6.286 4.188 1.00 0.00 C ATOM 0 H PHE A 19 0.322 11.519 5.986 1.00 0.00 H new ATOM 0 HA PHE A 19 0.470 10.925 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.808 10.724 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.050 10.663 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.813 8.858 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.248 8.811 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.398 6.444 2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.830 6.407 6.303 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.411 5.221 4.197 1.00 0.00 H new ATOM 287 N ASP A 20 -0.834 12.931 2.433 1.00 0.00 N ATOM 288 CA ASP A 20 -1.454 14.134 2.018 1.00 0.00 C ATOM 289 C ASP A 20 -2.896 13.895 2.302 1.00 0.00 C ATOM 290 O ASP A 20 -3.483 12.925 1.764 1.00 0.00 O ATOM 291 CB ASP A 20 -1.247 14.343 0.519 1.00 0.00 C ATOM 292 CG ASP A 20 0.196 14.266 0.122 1.00 0.00 C ATOM 293 OD1 ASP A 20 0.901 15.305 0.156 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.668 13.165 -0.216 1.00 0.00 O ATOM 0 H ASP A 20 -0.632 12.280 1.674 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.055 15.016 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.812 13.590 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.648 15.315 0.232 1.00 0.00 H new ATOM 299 N PHE A 21 -3.471 14.701 3.165 1.00 0.00 N ATOM 300 CA PHE A 21 -4.807 14.450 3.643 1.00 0.00 C ATOM 301 C PHE A 21 -5.820 14.410 2.526 1.00 0.00 C ATOM 302 O PHE A 21 -6.744 13.650 2.597 1.00 0.00 O ATOM 303 CB PHE A 21 -5.234 15.431 4.734 1.00 0.00 C ATOM 304 CG PHE A 21 -6.527 15.024 5.396 1.00 0.00 C ATOM 305 CD1 PHE A 21 -6.546 13.963 6.292 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.715 15.679 5.122 1.00 0.00 C ATOM 307 CE1 PHE A 21 -7.715 13.565 6.901 1.00 0.00 C ATOM 308 CE2 PHE A 21 -8.888 15.283 5.731 1.00 0.00 C ATOM 309 CZ PHE A 21 -8.889 14.225 6.621 1.00 0.00 C ATOM 0 H PHE A 21 -3.032 15.537 3.550 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.777 13.458 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.449 15.498 5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.347 16.425 4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.627 13.441 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.724 16.506 4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.710 12.738 7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.809 15.802 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.809 13.917 7.095 1.00 0.00 H new ATOM 319 N ALA A 22 -5.602 15.186 1.487 1.00 0.00 N ATOM 320 CA ALA A 22 -6.496 15.253 0.334 1.00 0.00 C ATOM 321 C ALA A 22 -6.768 13.874 -0.275 1.00 0.00 C ATOM 322 O ALA A 22 -7.898 13.569 -0.677 1.00 0.00 O ATOM 323 CB ALA A 22 -5.901 16.168 -0.708 1.00 0.00 C ATOM 0 H ALA A 22 -4.790 15.799 1.411 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.453 15.645 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.567 16.220 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.775 17.165 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.931 15.781 -1.021 1.00 0.00 H new ATOM 329 N VAL A 23 -5.750 13.041 -0.287 1.00 0.00 N ATOM 330 CA VAL A 23 -5.847 11.713 -0.852 1.00 0.00 C ATOM 331 C VAL A 23 -6.756 10.836 0.029 1.00 0.00 C ATOM 332 O VAL A 23 -7.728 10.241 -0.453 1.00 0.00 O ATOM 333 CB VAL A 23 -4.441 11.068 -0.978 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.533 9.708 -1.632 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.494 11.972 -1.759 1.00 0.00 C ATOM 0 H VAL A 23 -4.831 13.266 0.095 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.280 11.789 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.039 10.941 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.536 9.274 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.166 9.057 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.963 9.812 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.516 11.497 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.893 12.139 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.395 12.927 -1.244 1.00 0.00 H new ATOM 345 N ILE A 24 -6.450 10.805 1.320 1.00 0.00 N ATOM 346 CA ILE A 24 -7.221 10.031 2.301 1.00 0.00 C ATOM 347 C ILE A 24 -8.672 10.545 2.345 1.00 0.00 C ATOM 348 O ILE A 24 -9.628 9.773 2.366 1.00 0.00 O ATOM 349 CB ILE A 24 -6.579 10.159 3.721 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.091 9.740 3.713 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.354 9.373 4.774 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.831 8.320 3.241 1.00 0.00 C ATOM 0 H ILE A 24 -5.662 11.313 1.722 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.214 8.983 2.002 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.632 11.213 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.538 10.427 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.691 9.852 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.872 9.491 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.376 9.748 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.369 8.317 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.760 8.117 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.351 7.619 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.195 8.203 2.220 1.00 0.00 H new ATOM 364 N LYS A 25 -8.790 11.854 2.325 1.00 0.00 N ATOM 365 CA LYS A 25 -10.039 12.587 2.337 1.00 0.00 C ATOM 366 C LYS A 25 -10.927 12.154 1.182 1.00 0.00 C ATOM 367 O LYS A 25 -12.080 11.773 1.386 1.00 0.00 O ATOM 368 CB LYS A 25 -9.713 14.073 2.192 1.00 0.00 C ATOM 369 CG LYS A 25 -10.887 15.030 2.186 1.00 0.00 C ATOM 370 CD LYS A 25 -10.430 16.426 1.769 1.00 0.00 C ATOM 371 CE LYS A 25 -10.089 16.476 0.275 1.00 0.00 C ATOM 372 NZ LYS A 25 -9.545 17.785 -0.146 1.00 0.00 N ATOM 0 H LYS A 25 -7.976 12.468 2.299 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.570 12.391 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.047 14.356 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.157 14.210 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.654 14.671 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.339 15.069 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.215 17.149 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.557 16.715 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.363 15.696 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.986 16.257 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.333 17.762 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.246 18.530 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.674 17.986 0.385 1.00 0.00 H new ATOM 386 N GLU A 26 -10.383 12.184 -0.032 1.00 0.00 N ATOM 387 CA GLU A 26 -11.174 11.864 -1.197 1.00 0.00 C ATOM 388 C GLU A 26 -11.474 10.381 -1.303 1.00 0.00 C ATOM 389 O GLU A 26 -12.544 10.003 -1.769 1.00 0.00 O ATOM 390 CB GLU A 26 -10.566 12.411 -2.490 1.00 0.00 C ATOM 391 CG GLU A 26 -11.450 12.163 -3.702 1.00 0.00 C ATOM 392 CD GLU A 26 -11.069 12.970 -4.892 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.565 14.113 -5.005 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.319 12.477 -5.763 1.00 0.00 O ATOM 0 H GLU A 26 -9.411 12.424 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.128 12.373 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.395 13.482 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.593 11.948 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.407 11.105 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.484 12.385 -3.439 1.00 0.00 H new ATOM 401 N LEU A 27 -10.569 9.532 -0.858 1.00 0.00 N ATOM 402 CA LEU A 27 -10.850 8.114 -0.911 1.00 0.00 C ATOM 403 C LEU A 27 -11.890 7.751 0.153 1.00 0.00 C ATOM 404 O LEU A 27 -12.679 6.829 -0.019 1.00 0.00 O ATOM 405 CB LEU A 27 -9.570 7.266 -0.808 1.00 0.00 C ATOM 406 CG LEU A 27 -9.736 5.759 -1.071 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.440 5.523 -2.401 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.379 5.075 -1.087 1.00 0.00 C ATOM 0 H LEU A 27 -9.662 9.788 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.274 7.879 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.839 7.660 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.151 7.396 0.190 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.342 5.338 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.549 4.452 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.425 5.989 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.851 5.960 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.511 4.009 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.763 5.508 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.889 5.216 -0.124 1.00 0.00 H new ATOM 420 N LYS A 28 -11.912 8.517 1.237 1.00 0.00 N ATOM 421 CA LYS A 28 -12.936 8.356 2.244 1.00 0.00 C ATOM 422 C LYS A 28 -14.263 8.912 1.714 1.00 0.00 C ATOM 423 O LYS A 28 -15.340 8.383 2.003 1.00 0.00 O ATOM 424 CB LYS A 28 -12.525 9.000 3.587 1.00 0.00 C ATOM 425 CG LYS A 28 -13.594 8.881 4.658 1.00 0.00 C ATOM 426 CD LYS A 28 -13.103 9.253 6.052 1.00 0.00 C ATOM 427 CE LYS A 28 -12.635 10.690 6.147 1.00 0.00 C ATOM 428 NZ LYS A 28 -12.386 11.098 7.549 1.00 0.00 N ATOM 0 H LYS A 28 -11.232 9.251 1.435 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.066 7.294 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.609 8.529 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.299 10.054 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.434 9.523 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.968 7.857 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.906 9.089 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.284 8.590 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.722 10.814 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.385 11.346 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.067 12.088 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.264 11.004 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.652 10.489 7.963 1.00 0.00 H new ATOM 442 N THR A 29 -14.167 9.966 0.912 1.00 0.00 N ATOM 443 CA THR A 29 -15.329 10.529 0.239 1.00 0.00 C ATOM 444 C THR A 29 -15.915 9.456 -0.685 1.00 0.00 C ATOM 445 O THR A 29 -17.132 9.185 -0.671 1.00 0.00 O ATOM 446 CB THR A 29 -14.960 11.805 -0.577 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.332 12.778 0.290 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.203 12.428 -1.211 1.00 0.00 C ATOM 0 H THR A 29 -13.291 10.449 0.712 1.00 0.00 H new ATOM 0 HA THR A 29 -16.063 10.831 0.986 1.00 0.00 H new ATOM 0 HB THR A 29 -14.271 11.512 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.464 12.437 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.918 13.316 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.669 11.707 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.910 12.706 -0.429 1.00 0.00 H new ATOM 456 N ALA A 30 -15.039 8.812 -1.479 1.00 0.00 N ATOM 457 CA ALA A 30 -15.400 7.738 -2.309 1.00 0.00 C ATOM 458 C ALA A 30 -15.976 6.596 -1.504 1.00 0.00 C ATOM 459 O ALA A 30 -16.932 6.077 -1.888 1.00 0.00 O ATOM 460 CB ALA A 30 -14.218 7.267 -3.147 1.00 0.00 C ATOM 0 H ALA A 30 -14.051 9.058 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.173 8.094 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.529 6.435 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.866 8.087 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.412 6.942 -2.489 1.00 0.00 H new ATOM 466 N ALA A 31 -15.412 6.250 -0.365 1.00 0.00 N ATOM 467 CA ALA A 31 -15.952 5.160 0.485 1.00 0.00 C ATOM 468 C ALA A 31 -17.414 5.417 0.851 1.00 0.00 C ATOM 469 O ALA A 31 -18.249 4.499 0.848 1.00 0.00 O ATOM 470 CB ALA A 31 -15.168 5.072 1.761 1.00 0.00 C ATOM 0 H ALA A 31 -14.576 6.698 0.011 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.875 4.233 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.570 4.270 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.123 4.865 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.241 6.017 2.299 1.00 0.00 H new ATOM 476 N SER A 32 -17.707 6.647 1.154 1.00 0.00 N ATOM 477 CA SER A 32 -19.008 7.045 1.565 1.00 0.00 C ATOM 478 C SER A 32 -19.994 7.041 0.376 1.00 0.00 C ATOM 479 O SER A 32 -21.038 6.383 0.419 1.00 0.00 O ATOM 480 CB SER A 32 -18.900 8.442 2.211 1.00 0.00 C ATOM 481 OG SER A 32 -20.121 8.883 2.770 1.00 0.00 O ATOM 0 H SER A 32 -17.032 7.411 1.120 1.00 0.00 H new ATOM 0 HA SER A 32 -19.403 6.337 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.137 8.420 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.569 9.160 1.460 1.00 0.00 H new ATOM 0 HG SER A 32 -19.997 9.770 3.167 1.00 0.00 H new ATOM 487 N GLN A 33 -19.648 7.760 -0.680 1.00 0.00 N ATOM 488 CA GLN A 33 -20.505 7.975 -1.851 1.00 0.00 C ATOM 489 C GLN A 33 -20.480 6.818 -2.849 1.00 0.00 C ATOM 490 O GLN A 33 -21.490 6.467 -3.444 1.00 0.00 O ATOM 491 CB GLN A 33 -19.969 9.202 -2.563 1.00 0.00 C ATOM 492 CG GLN A 33 -19.952 10.445 -1.716 1.00 0.00 C ATOM 493 CD GLN A 33 -21.278 11.168 -1.681 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.960 11.211 -2.794 1.00 0.00 O flip ATOM 495 NE2 GLN A 33 -21.641 11.757 -0.674 1.00 0.00 N flip ATOM 0 H GLN A 33 -18.743 8.224 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.532 8.077 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.955 8.996 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.575 9.388 -3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.666 10.178 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.187 11.123 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.083 11.701 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.502 12.304 -0.686 1.00 0.00 H new ATOM 504 N TYR A 34 -19.317 6.290 -3.059 1.00 0.00 N ATOM 505 CA TYR A 34 -19.050 5.302 -4.093 1.00 0.00 C ATOM 506 C TYR A 34 -18.787 3.890 -3.534 1.00 0.00 C ATOM 507 O TYR A 34 -19.246 2.897 -4.095 1.00 0.00 O ATOM 508 CB TYR A 34 -17.848 5.812 -4.915 1.00 0.00 C ATOM 509 CG TYR A 34 -18.184 7.012 -5.766 1.00 0.00 C ATOM 510 CD1 TYR A 34 -18.055 8.289 -5.266 1.00 0.00 C ATOM 511 CD2 TYR A 34 -18.670 6.862 -7.059 1.00 0.00 C ATOM 512 CE1 TYR A 34 -18.394 9.389 -6.014 1.00 0.00 C ATOM 513 CE2 TYR A 34 -19.007 7.961 -7.826 1.00 0.00 C ATOM 514 CZ TYR A 34 -18.868 9.224 -7.296 1.00 0.00 C ATOM 515 OH TYR A 34 -19.207 10.324 -8.044 1.00 0.00 O ATOM 0 H TYR A 34 -18.493 6.531 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.936 5.194 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.034 6.070 -4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.486 5.008 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.679 8.428 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.786 5.871 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.289 10.380 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -19.376 7.830 -8.832 1.00 0.00 H new ATOM 0 HH TYR A 34 -19.523 10.035 -8.926 1.00 0.00 H new ATOM 525 N GLY A 35 -18.090 3.819 -2.427 1.00 0.00 N ATOM 526 CA GLY A 35 -17.681 2.560 -1.865 1.00 0.00 C ATOM 527 C GLY A 35 -16.507 2.043 -2.618 1.00 0.00 C ATOM 528 O GLY A 35 -15.754 2.820 -3.128 1.00 0.00 O ATOM 0 H GLY A 35 -17.791 4.634 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.426 2.684 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.502 1.844 -1.912 1.00 0.00 H new ATOM 532 N ALA A 36 -16.298 0.760 -2.586 1.00 0.00 N ATOM 533 CA ALA A 36 -15.355 0.081 -3.457 1.00 0.00 C ATOM 534 C ALA A 36 -16.139 -0.498 -4.596 1.00 0.00 C ATOM 535 O ALA A 36 -17.350 -0.547 -4.501 1.00 0.00 O ATOM 536 CB ALA A 36 -14.581 -0.976 -2.738 1.00 0.00 C ATOM 0 H ALA A 36 -16.783 0.134 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.613 0.791 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.889 -1.455 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.020 -0.523 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.268 -1.721 -2.338 1.00 0.00 H new ATOM 542 N THR A 37 -15.490 -0.792 -5.712 1.00 0.00 N ATOM 543 CA THR A 37 -16.140 -1.388 -6.887 1.00 0.00 C ATOM 544 C THR A 37 -16.576 -0.332 -7.914 1.00 0.00 C ATOM 545 O THR A 37 -16.480 -0.559 -9.120 1.00 0.00 O ATOM 546 CB THR A 37 -17.230 -2.453 -6.509 1.00 0.00 C ATOM 547 OG1 THR A 37 -16.562 -3.585 -5.927 1.00 0.00 O ATOM 548 CG2 THR A 37 -18.075 -2.904 -7.695 1.00 0.00 C ATOM 0 H THR A 37 -14.491 -0.626 -5.837 1.00 0.00 H new ATOM 0 HA THR A 37 -15.385 -1.973 -7.412 1.00 0.00 H new ATOM 0 HB THR A 37 -17.922 -1.989 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.551 -3.492 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.807 -3.639 -7.361 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.592 -2.044 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.431 -3.351 -8.452 1.00 0.00 H new ATOM 556 N ALA A 38 -17.000 0.824 -7.439 1.00 0.00 N ATOM 557 CA ALA A 38 -17.256 1.955 -8.327 1.00 0.00 C ATOM 558 C ALA A 38 -15.932 2.349 -9.021 1.00 0.00 C ATOM 559 O ALA A 38 -14.920 2.452 -8.363 1.00 0.00 O ATOM 560 CB ALA A 38 -17.809 3.128 -7.530 1.00 0.00 C ATOM 0 H ALA A 38 -17.175 1.009 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.994 1.678 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.997 3.967 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.741 2.833 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.086 3.425 -6.771 1.00 0.00 H new ATOM 566 N PRO A 39 -15.919 2.554 -10.346 1.00 0.00 N ATOM 567 CA PRO A 39 -14.674 2.838 -11.113 1.00 0.00 C ATOM 568 C PRO A 39 -13.811 3.992 -10.555 1.00 0.00 C ATOM 569 O PRO A 39 -12.580 3.984 -10.698 1.00 0.00 O ATOM 570 CB PRO A 39 -15.169 3.162 -12.535 1.00 0.00 C ATOM 571 CG PRO A 39 -16.660 3.283 -12.436 1.00 0.00 C ATOM 572 CD PRO A 39 -17.092 2.497 -11.232 1.00 0.00 C ATOM 0 HA PRO A 39 -14.004 1.980 -11.060 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.726 4.088 -12.901 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.887 2.375 -13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.955 4.328 -12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -17.138 2.899 -13.337 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.972 2.935 -10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.348 1.470 -11.494 1.00 0.00 H new ATOM 580 N TYR A 40 -14.455 4.946 -9.917 1.00 0.00 N ATOM 581 CA TYR A 40 -13.798 6.113 -9.349 1.00 0.00 C ATOM 582 C TYR A 40 -12.843 5.726 -8.188 1.00 0.00 C ATOM 583 O TYR A 40 -11.615 5.986 -8.234 1.00 0.00 O ATOM 584 CB TYR A 40 -14.896 7.078 -8.848 1.00 0.00 C ATOM 585 CG TYR A 40 -14.407 8.408 -8.367 1.00 0.00 C ATOM 586 CD1 TYR A 40 -14.078 9.392 -9.282 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.262 8.686 -7.007 1.00 0.00 C ATOM 588 CE1 TYR A 40 -13.618 10.616 -8.878 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.794 9.918 -6.594 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.472 10.879 -7.546 1.00 0.00 C ATOM 591 OH TYR A 40 -13.004 12.111 -7.157 1.00 0.00 O ATOM 0 H TYR A 40 -15.465 4.936 -9.774 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.185 6.592 -10.113 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.609 7.242 -9.656 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.440 6.594 -8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.186 9.190 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.517 7.934 -6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.371 11.371 -9.610 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.679 10.133 -5.542 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.380 12.342 -6.282 1.00 0.00 H new ATOM 601 N THR A 41 -13.412 5.100 -7.170 1.00 0.00 N ATOM 602 CA THR A 41 -12.734 4.759 -5.932 1.00 0.00 C ATOM 603 C THR A 41 -11.450 3.936 -6.131 1.00 0.00 C ATOM 604 O THR A 41 -10.393 4.311 -5.629 1.00 0.00 O ATOM 605 CB THR A 41 -13.715 4.045 -4.971 1.00 0.00 C ATOM 606 OG1 THR A 41 -13.115 3.778 -3.716 1.00 0.00 O ATOM 607 CG2 THR A 41 -14.218 2.750 -5.560 1.00 0.00 C ATOM 0 H THR A 41 -14.389 4.807 -7.184 1.00 0.00 H new ATOM 0 HA THR A 41 -12.406 5.698 -5.487 1.00 0.00 H new ATOM 0 HB THR A 41 -14.555 4.724 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.774 3.366 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.904 2.274 -4.860 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.738 2.954 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.375 2.085 -5.750 1.00 0.00 H new ATOM 615 N LEU A 42 -11.507 2.859 -6.905 1.00 0.00 N ATOM 616 CA LEU A 42 -10.332 2.057 -7.063 1.00 0.00 C ATOM 617 C LEU A 42 -9.273 2.702 -7.902 1.00 0.00 C ATOM 618 O LEU A 42 -8.130 2.402 -7.739 1.00 0.00 O ATOM 619 CB LEU A 42 -10.531 0.531 -7.317 1.00 0.00 C ATOM 620 CG LEU A 42 -11.594 0.038 -8.320 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.955 0.049 -7.679 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.600 0.859 -9.609 1.00 0.00 C ATOM 0 H LEU A 42 -12.332 2.540 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.933 2.036 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.571 0.131 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.758 0.071 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.334 -0.984 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.698 -0.301 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.953 -0.608 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.202 1.064 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.365 0.473 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.815 1.902 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.624 0.789 -10.090 1.00 0.00 H new ATOM 634 N ALA A 43 -9.657 3.652 -8.750 1.00 0.00 N ATOM 635 CA ALA A 43 -8.682 4.416 -9.519 1.00 0.00 C ATOM 636 C ALA A 43 -7.826 5.221 -8.554 1.00 0.00 C ATOM 637 O ALA A 43 -6.617 5.429 -8.762 1.00 0.00 O ATOM 638 CB ALA A 43 -9.367 5.328 -10.528 1.00 0.00 C ATOM 0 H ALA A 43 -10.629 3.909 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.052 3.731 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.614 5.884 -11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.959 4.727 -11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.019 6.026 -10.003 1.00 0.00 H new ATOM 644 N ILE A 44 -8.461 5.642 -7.487 1.00 0.00 N ATOM 645 CA ILE A 44 -7.784 6.334 -6.418 1.00 0.00 C ATOM 646 C ILE A 44 -6.889 5.335 -5.658 1.00 0.00 C ATOM 647 O ILE A 44 -5.737 5.635 -5.372 1.00 0.00 O ATOM 648 CB ILE A 44 -8.794 6.979 -5.465 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.720 7.892 -6.259 1.00 0.00 C ATOM 650 CG2 ILE A 44 -8.074 7.768 -4.369 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.928 8.335 -5.504 1.00 0.00 C ATOM 0 H ILE A 44 -9.462 5.514 -7.336 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.167 7.128 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.382 6.198 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.161 8.771 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.039 7.372 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.809 8.219 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.431 7.096 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.468 8.552 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.536 8.981 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.512 7.463 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.620 8.884 -4.614 1.00 0.00 H new ATOM 663 N VAL A 45 -7.412 4.125 -5.403 1.00 0.00 N ATOM 664 CA VAL A 45 -6.653 3.059 -4.712 1.00 0.00 C ATOM 665 C VAL A 45 -5.377 2.712 -5.518 1.00 0.00 C ATOM 666 O VAL A 45 -4.280 2.527 -4.952 1.00 0.00 O ATOM 667 CB VAL A 45 -7.528 1.762 -4.493 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.739 0.655 -3.809 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.783 2.064 -3.684 1.00 0.00 C ATOM 0 H VAL A 45 -8.360 3.856 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.372 3.435 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.821 1.418 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.377 -0.219 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.880 0.387 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.394 1.002 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.360 1.149 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.501 2.458 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.387 2.802 -4.212 1.00 0.00 H new ATOM 679 N GLU A 46 -5.513 2.684 -6.831 1.00 0.00 N ATOM 680 CA GLU A 46 -4.397 2.408 -7.719 1.00 0.00 C ATOM 681 C GLU A 46 -3.354 3.527 -7.626 1.00 0.00 C ATOM 682 O GLU A 46 -2.148 3.278 -7.630 1.00 0.00 O ATOM 683 CB GLU A 46 -4.900 2.239 -9.158 1.00 0.00 C ATOM 684 CG GLU A 46 -5.963 1.163 -9.273 1.00 0.00 C ATOM 685 CD GLU A 46 -6.397 0.862 -10.684 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.666 0.145 -11.406 1.00 0.00 O ATOM 687 OE2 GLU A 46 -7.489 1.281 -11.078 1.00 0.00 O ATOM 0 H GLU A 46 -6.397 2.851 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.919 1.477 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.305 3.187 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.061 1.989 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.585 0.247 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.835 1.469 -8.695 1.00 0.00 H new ATOM 694 N SER A 47 -3.835 4.747 -7.476 1.00 0.00 N ATOM 695 CA SER A 47 -2.977 5.901 -7.378 1.00 0.00 C ATOM 696 C SER A 47 -2.321 6.024 -5.978 1.00 0.00 C ATOM 697 O SER A 47 -1.213 6.543 -5.859 1.00 0.00 O ATOM 698 CB SER A 47 -3.759 7.159 -7.740 1.00 0.00 C ATOM 699 OG SER A 47 -4.316 7.038 -9.048 1.00 0.00 O ATOM 0 H SER A 47 -4.831 4.960 -7.419 1.00 0.00 H new ATOM 0 HA SER A 47 -2.161 5.777 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.554 7.323 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.103 8.028 -7.696 1.00 0.00 H new ATOM 0 HG SER A 47 -5.132 6.497 -9.007 1.00 0.00 H new ATOM 705 N VAL A 48 -2.977 5.522 -4.926 1.00 0.00 N ATOM 706 CA VAL A 48 -2.384 5.612 -3.587 1.00 0.00 C ATOM 707 C VAL A 48 -1.220 4.642 -3.451 1.00 0.00 C ATOM 708 O VAL A 48 -0.225 4.925 -2.789 1.00 0.00 O ATOM 709 CB VAL A 48 -3.394 5.419 -2.410 1.00 0.00 C ATOM 710 CG1 VAL A 48 -4.549 6.385 -2.497 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.886 3.988 -2.258 1.00 0.00 C ATOM 0 H VAL A 48 -3.887 5.064 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.028 6.638 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.830 5.644 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.227 6.217 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.172 7.407 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.083 6.230 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.583 3.930 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.390 3.677 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.038 3.330 -2.070 1.00 0.00 H new ATOM 721 N ALA A 49 -1.329 3.519 -4.140 1.00 0.00 N ATOM 722 CA ALA A 49 -0.279 2.527 -4.150 1.00 0.00 C ATOM 723 C ALA A 49 0.797 2.916 -5.134 1.00 0.00 C ATOM 724 O ALA A 49 1.819 2.274 -5.228 1.00 0.00 O ATOM 725 CB ALA A 49 -0.840 1.147 -4.460 1.00 0.00 C ATOM 0 H ALA A 49 -2.144 3.274 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 49 0.168 2.483 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.030 0.417 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.573 0.874 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.319 1.160 -5.439 1.00 0.00 H new ATOM 731 N ASP A 50 0.569 4.014 -5.831 1.00 0.00 N ATOM 732 CA ASP A 50 1.499 4.505 -6.838 1.00 0.00 C ATOM 733 C ASP A 50 2.499 5.444 -6.168 1.00 0.00 C ATOM 734 O ASP A 50 3.345 6.072 -6.804 1.00 0.00 O ATOM 735 CB ASP A 50 0.714 5.223 -7.940 1.00 0.00 C ATOM 736 CG ASP A 50 1.477 5.382 -9.221 1.00 0.00 C ATOM 737 OD1 ASP A 50 1.507 4.419 -10.031 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.001 6.460 -9.481 1.00 0.00 O ATOM 0 H ASP A 50 -0.264 4.592 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 50 2.047 3.680 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.203 4.668 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.418 6.208 -7.579 1.00 0.00 H new ATOM 743 N ASN A 51 2.370 5.538 -4.863 1.00 0.00 N ATOM 744 CA ASN A 51 3.267 6.316 -4.039 1.00 0.00 C ATOM 745 C ASN A 51 4.270 5.357 -3.447 1.00 0.00 C ATOM 746 O ASN A 51 4.026 4.160 -3.409 1.00 0.00 O ATOM 747 CB ASN A 51 2.529 7.002 -2.854 1.00 0.00 C ATOM 748 CG ASN A 51 1.506 8.090 -3.203 1.00 0.00 C ATOM 749 OD1 ASN A 51 1.358 9.074 -2.467 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.763 7.914 -4.251 1.00 0.00 N ATOM 0 H ASN A 51 1.630 5.071 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 51 3.722 7.091 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.018 6.229 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.280 7.442 -2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.039 8.594 -4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.903 7.096 -4.844 1.00 0.00 H new ATOM 757 N TRP A 52 5.376 5.857 -2.997 1.00 0.00 N ATOM 758 CA TRP A 52 6.321 5.039 -2.285 1.00 0.00 C ATOM 759 C TRP A 52 5.844 5.020 -0.856 1.00 0.00 C ATOM 760 O TRP A 52 5.731 6.084 -0.232 1.00 0.00 O ATOM 761 CB TRP A 52 7.746 5.624 -2.353 1.00 0.00 C ATOM 762 CG TRP A 52 8.384 5.633 -3.718 1.00 0.00 C ATOM 763 CD1 TRP A 52 7.792 5.367 -4.920 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.757 5.931 -4.010 1.00 0.00 C ATOM 765 NE1 TRP A 52 8.709 5.483 -5.931 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.920 5.824 -5.402 1.00 0.00 C ATOM 767 CE3 TRP A 52 10.862 6.273 -3.227 1.00 0.00 C ATOM 768 CZ2 TRP A 52 11.139 6.057 -6.028 1.00 0.00 C ATOM 769 CZ3 TRP A 52 12.072 6.499 -3.849 1.00 0.00 C ATOM 770 CH2 TRP A 52 12.204 6.388 -5.238 1.00 0.00 C ATOM 0 H TRP A 52 5.653 6.832 -3.108 1.00 0.00 H new ATOM 0 HA TRP A 52 6.374 4.042 -2.721 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.717 6.647 -1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.385 5.056 -1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 52 6.753 5.104 -5.054 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.517 5.338 -6.922 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.771 6.359 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.241 5.979 -7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.933 6.766 -3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.166 6.567 -5.694 1.00 0.00 H new ATOM 781 N LEU A 53 5.507 3.861 -0.351 1.00 0.00 N ATOM 782 CA LEU A 53 4.949 3.773 0.967 1.00 0.00 C ATOM 783 C LEU A 53 5.292 2.458 1.626 1.00 0.00 C ATOM 784 O LEU A 53 5.803 1.543 0.975 1.00 0.00 O ATOM 785 CB LEU A 53 3.412 4.065 0.957 1.00 0.00 C ATOM 786 CG LEU A 53 2.404 3.043 0.369 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.026 3.684 0.306 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.800 2.524 -1.010 1.00 0.00 C ATOM 0 H LEU A 53 5.610 2.969 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 53 5.407 4.551 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.116 4.246 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.269 5.000 0.416 1.00 0.00 H new ATOM 0 HG LEU A 53 2.400 2.177 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.312 2.971 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.713 3.972 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.065 4.568 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.051 1.814 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.864 3.358 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.769 2.028 -0.948 1.00 0.00 H new ATOM 800 N THR A 54 5.027 2.372 2.906 1.00 0.00 N ATOM 801 CA THR A 54 5.374 1.209 3.680 1.00 0.00 C ATOM 802 C THR A 54 4.113 0.535 4.256 1.00 0.00 C ATOM 803 O THR A 54 3.008 1.096 4.157 1.00 0.00 O ATOM 804 CB THR A 54 6.332 1.604 4.825 1.00 0.00 C ATOM 805 OG1 THR A 54 5.736 2.613 5.652 1.00 0.00 O ATOM 806 CG2 THR A 54 7.665 2.098 4.281 1.00 0.00 C ATOM 0 H THR A 54 4.564 3.108 3.440 1.00 0.00 H new ATOM 0 HA THR A 54 5.873 0.496 3.023 1.00 0.00 H new ATOM 0 HB THR A 54 6.517 0.714 5.427 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.678 3.454 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.319 2.369 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.133 1.309 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.499 2.971 3.650 1.00 0.00 H new ATOM 814 N PRO A 55 4.238 -0.699 4.847 1.00 0.00 N ATOM 815 CA PRO A 55 3.115 -1.402 5.489 1.00 0.00 C ATOM 816 C PRO A 55 2.390 -0.569 6.552 1.00 0.00 C ATOM 817 O PRO A 55 1.170 -0.711 6.724 1.00 0.00 O ATOM 818 CB PRO A 55 3.772 -2.624 6.124 1.00 0.00 C ATOM 819 CG PRO A 55 4.935 -2.898 5.250 1.00 0.00 C ATOM 820 CD PRO A 55 5.461 -1.549 4.856 1.00 0.00 C ATOM 0 HA PRO A 55 2.338 -1.639 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.082 -2.423 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.089 -3.473 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.694 -3.478 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.641 -3.477 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.202 -1.182 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.942 -1.574 3.878 1.00 0.00 H new ATOM 828 N THR A 56 3.116 0.302 7.260 1.00 0.00 N ATOM 829 CA THR A 56 2.478 1.142 8.247 1.00 0.00 C ATOM 830 C THR A 56 1.627 2.213 7.569 1.00 0.00 C ATOM 831 O THR A 56 0.504 2.522 8.029 1.00 0.00 O ATOM 832 CB THR A 56 3.474 1.771 9.287 1.00 0.00 C ATOM 833 OG1 THR A 56 2.750 2.539 10.255 1.00 0.00 O ATOM 834 CG2 THR A 56 4.534 2.655 8.627 1.00 0.00 C ATOM 0 H THR A 56 4.123 0.434 7.163 1.00 0.00 H new ATOM 0 HA THR A 56 1.828 0.490 8.831 1.00 0.00 H new ATOM 0 HB THR A 56 3.992 0.943 9.771 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.377 2.927 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.195 3.063 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.117 2.061 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.047 3.472 8.095 1.00 0.00 H new ATOM 842 N ASP A 57 2.145 2.767 6.460 1.00 0.00 N ATOM 843 CA ASP A 57 1.396 3.740 5.669 1.00 0.00 C ATOM 844 C ASP A 57 0.139 3.068 5.178 1.00 0.00 C ATOM 845 O ASP A 57 -0.963 3.579 5.367 1.00 0.00 O ATOM 846 CB ASP A 57 2.204 4.274 4.463 1.00 0.00 C ATOM 847 CG ASP A 57 3.435 5.077 4.825 1.00 0.00 C ATOM 848 OD1 ASP A 57 3.315 6.194 5.356 1.00 0.00 O ATOM 849 OD2 ASP A 57 4.553 4.621 4.535 1.00 0.00 O ATOM 0 H ASP A 57 3.075 2.555 6.098 1.00 0.00 H new ATOM 0 HA ASP A 57 1.170 4.599 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.508 3.429 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.549 4.896 3.852 1.00 0.00 H new ATOM 854 N TRP A 58 0.315 1.879 4.609 1.00 0.00 N ATOM 855 CA TRP A 58 -0.792 1.057 4.163 1.00 0.00 C ATOM 856 C TRP A 58 -1.860 0.869 5.266 1.00 0.00 C ATOM 857 O TRP A 58 -3.037 1.178 5.048 1.00 0.00 O ATOM 858 CB TRP A 58 -0.302 -0.312 3.690 1.00 0.00 C ATOM 859 CG TRP A 58 0.190 -0.393 2.267 1.00 0.00 C ATOM 860 CD1 TRP A 58 -0.104 0.441 1.213 1.00 0.00 C ATOM 861 CD2 TRP A 58 0.992 -1.438 1.733 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.498 -0.035 0.061 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.175 -1.178 0.364 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.590 -2.566 2.288 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.918 -2.005 -0.446 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.326 -3.396 1.475 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.484 -3.109 0.121 1.00 0.00 C ATOM 0 H TRP A 58 1.232 1.463 4.447 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.254 1.584 3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.505 -0.633 4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.116 -1.027 3.811 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.712 1.331 1.275 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.444 0.398 -0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.478 -2.786 3.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.049 -1.788 -1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.787 -4.280 1.891 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.069 -3.777 -0.495 1.00 0.00 H new ATOM 878 N ASN A 59 -1.442 0.398 6.435 1.00 0.00 N ATOM 879 CA ASN A 59 -2.363 0.134 7.571 1.00 0.00 C ATOM 880 C ASN A 59 -3.225 1.377 7.866 1.00 0.00 C ATOM 881 O ASN A 59 -4.464 1.306 7.899 1.00 0.00 O ATOM 882 CB ASN A 59 -1.545 -0.250 8.826 1.00 0.00 C ATOM 883 CG ASN A 59 -2.403 -0.653 10.020 1.00 0.00 C ATOM 884 OD1 ASN A 59 -3.502 -1.180 9.859 1.00 0.00 O ATOM 885 ND2 ASN A 59 -1.899 -0.441 11.212 1.00 0.00 N ATOM 0 H ASN A 59 -0.465 0.185 6.637 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.024 -0.691 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.878 -1.075 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.916 0.594 9.111 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.422 -0.716 12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.984 -0.001 11.308 1.00 0.00 H new ATOM 892 N THR A 60 -2.532 2.500 7.919 1.00 0.00 N ATOM 893 CA THR A 60 -3.157 3.773 8.240 1.00 0.00 C ATOM 894 C THR A 60 -4.179 4.187 7.139 1.00 0.00 C ATOM 895 O THR A 60 -5.333 4.588 7.435 1.00 0.00 O ATOM 896 CB THR A 60 -2.051 4.845 8.397 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.075 4.376 9.358 1.00 0.00 O ATOM 898 CG2 THR A 60 -2.620 6.181 8.869 1.00 0.00 C ATOM 0 H THR A 60 -1.529 2.557 7.743 1.00 0.00 H new ATOM 0 HA THR A 60 -3.710 3.680 9.175 1.00 0.00 H new ATOM 0 HB THR A 60 -1.589 5.003 7.422 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.461 3.749 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.812 6.906 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.347 6.544 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.107 6.048 9.835 1.00 0.00 H new ATOM 906 N LEU A 61 -3.773 4.007 5.892 1.00 0.00 N ATOM 907 CA LEU A 61 -4.558 4.388 4.744 1.00 0.00 C ATOM 908 C LEU A 61 -5.872 3.644 4.707 1.00 0.00 C ATOM 909 O LEU A 61 -6.916 4.268 4.832 1.00 0.00 O ATOM 910 CB LEU A 61 -3.736 4.197 3.454 1.00 0.00 C ATOM 911 CG LEU A 61 -4.260 4.866 2.163 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.143 4.987 1.159 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.391 4.090 1.519 1.00 0.00 C ATOM 0 H LEU A 61 -2.875 3.586 5.653 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.808 5.446 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.729 4.570 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.650 3.127 3.266 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.639 5.846 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.519 5.459 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.341 5.594 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.760 3.995 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.719 4.606 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.044 3.090 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.225 4.015 2.217 1.00 0.00 H new ATOM 925 N VAL A 62 -5.813 2.314 4.627 1.00 0.00 N ATOM 926 CA VAL A 62 -7.026 1.488 4.483 1.00 0.00 C ATOM 927 C VAL A 62 -8.023 1.736 5.609 1.00 0.00 C ATOM 928 O VAL A 62 -9.209 1.982 5.366 1.00 0.00 O ATOM 929 CB VAL A 62 -6.697 -0.049 4.363 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.836 -0.548 5.512 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.966 -0.877 4.268 1.00 0.00 C ATOM 0 H VAL A 62 -4.944 1.781 4.659 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.490 1.798 3.547 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.125 -0.170 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.638 -1.612 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.893 -0.002 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.359 -0.388 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.706 -1.932 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.571 -0.720 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.533 -0.574 3.388 1.00 0.00 H new ATOM 941 N ARG A 63 -7.505 1.754 6.817 1.00 0.00 N ATOM 942 CA ARG A 63 -8.346 1.887 8.020 1.00 0.00 C ATOM 943 C ARG A 63 -9.049 3.243 8.128 1.00 0.00 C ATOM 944 O ARG A 63 -10.025 3.383 8.887 1.00 0.00 O ATOM 945 CB ARG A 63 -7.546 1.642 9.284 1.00 0.00 C ATOM 946 CG ARG A 63 -6.538 2.718 9.581 1.00 0.00 C ATOM 947 CD ARG A 63 -5.751 2.375 10.783 1.00 0.00 C ATOM 948 NE ARG A 63 -4.793 3.406 11.133 1.00 0.00 N ATOM 949 CZ ARG A 63 -3.681 3.187 11.826 1.00 0.00 C ATOM 950 NH1 ARG A 63 -3.437 1.979 12.333 1.00 0.00 N ATOM 951 NH2 ARG A 63 -2.832 4.171 12.026 1.00 0.00 N ATOM 0 H ARG A 63 -6.506 1.679 7.008 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.116 1.123 7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.232 1.557 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.029 0.686 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.872 2.845 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.048 3.670 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.428 2.212 11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.224 1.436 10.612 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.985 4.360 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.104 1.221 12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.583 1.812 12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.028 5.098 11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.977 4.007 12.558 1.00 0.00 H new ATOM 965 N ALA A 64 -8.525 4.253 7.462 1.00 0.00 N ATOM 966 CA ALA A 64 -9.173 5.546 7.484 1.00 0.00 C ATOM 967 C ALA A 64 -10.085 5.733 6.266 1.00 0.00 C ATOM 968 O ALA A 64 -11.245 6.136 6.400 1.00 0.00 O ATOM 969 CB ALA A 64 -8.129 6.654 7.549 1.00 0.00 C ATOM 0 H ALA A 64 -7.669 4.205 6.909 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.798 5.598 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.628 7.623 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.531 6.538 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.480 6.594 6.675 1.00 0.00 H new ATOM 975 N VAL A 65 -9.483 5.524 5.142 1.00 0.00 N ATOM 976 CA VAL A 65 -10.192 5.707 3.861 1.00 0.00 C ATOM 977 C VAL A 65 -11.549 4.956 3.766 1.00 0.00 C ATOM 978 O VAL A 65 -12.568 5.576 3.492 1.00 0.00 O ATOM 979 CB VAL A 65 -9.322 5.454 2.610 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.120 6.380 2.602 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.898 4.002 2.500 1.00 0.00 C ATOM 0 H VAL A 65 -8.511 5.228 5.055 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.427 6.771 3.865 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.931 5.674 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.518 6.188 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.459 7.416 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.518 6.202 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.288 3.868 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.318 3.725 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.783 3.369 2.434 1.00 0.00 H new ATOM 991 N LEU A 66 -11.586 3.671 4.074 1.00 0.00 N ATOM 992 CA LEU A 66 -12.824 2.916 3.962 1.00 0.00 C ATOM 993 C LEU A 66 -13.202 2.351 5.308 1.00 0.00 C ATOM 994 O LEU A 66 -12.434 2.477 6.270 1.00 0.00 O ATOM 995 CB LEU A 66 -12.812 1.833 2.838 1.00 0.00 C ATOM 996 CG LEU A 66 -13.252 2.285 1.417 1.00 0.00 C ATOM 997 CD1 LEU A 66 -12.292 3.272 0.777 1.00 0.00 C ATOM 998 CD2 LEU A 66 -13.479 1.093 0.514 1.00 0.00 C ATOM 0 H LEU A 66 -10.783 3.133 4.400 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.598 3.615 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.802 1.429 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.461 1.015 3.149 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.196 2.814 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.658 3.546 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.221 4.165 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.307 2.814 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.786 1.438 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.555 0.521 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.260 0.460 0.936 1.00 0.00 H new ATOM 1010 N SER A 67 -14.371 1.759 5.409 1.00 0.00 N ATOM 1011 CA SER A 67 -14.855 1.304 6.683 1.00 0.00 C ATOM 1012 C SER A 67 -15.537 -0.063 6.580 1.00 0.00 C ATOM 1013 O SER A 67 -16.104 -0.412 5.522 1.00 0.00 O ATOM 1014 CB SER A 67 -15.859 2.336 7.214 1.00 0.00 C ATOM 1015 OG SER A 67 -15.295 3.653 7.263 1.00 0.00 O ATOM 0 H SER A 67 -14.999 1.584 4.624 1.00 0.00 H new ATOM 0 HA SER A 67 -14.007 1.197 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.744 2.343 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.187 2.044 8.212 1.00 0.00 H new ATOM 0 HG SER A 67 -15.964 4.283 7.604 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.450 -0.830 7.670 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.138 -2.103 7.816 1.00 0.00 C ATOM 1023 C GLY A 68 -15.639 -3.200 6.911 1.00 0.00 C ATOM 1024 O GLY A 68 -14.773 -4.006 7.301 1.00 0.00 O ATOM 0 H GLY A 68 -14.890 -0.575 8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.044 -2.434 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.200 -1.950 7.626 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.171 -3.213 5.713 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.898 -4.237 4.748 1.00 0.00 C ATOM 1030 C GLY A 69 -14.506 -4.170 4.207 1.00 0.00 C ATOM 1031 O GLY A 69 -14.000 -5.162 3.681 1.00 0.00 O ATOM 0 H GLY A 69 -16.817 -2.497 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.058 -5.213 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.607 -4.152 3.925 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.904 -2.984 4.314 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.534 -2.686 3.830 1.00 0.00 C ATOM 1037 C ASP A 70 -11.606 -3.796 4.249 1.00 0.00 C ATOM 1038 O ASP A 70 -10.902 -4.401 3.428 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.031 -1.314 4.375 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.764 -1.298 5.876 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.719 -1.499 6.671 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.606 -1.160 6.284 1.00 0.00 O ATOM 0 H ASP A 70 -14.356 -2.179 4.748 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.551 -2.620 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.115 -1.042 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.771 -0.549 4.141 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.749 -4.127 5.497 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.037 -5.140 6.170 1.00 0.00 C ATOM 1049 C HIS A 71 -11.203 -6.479 5.478 1.00 0.00 C ATOM 1050 O HIS A 71 -10.223 -7.079 5.031 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.558 -5.214 7.597 1.00 0.00 C ATOM 1052 CG HIS A 71 -11.036 -4.159 8.539 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -11.506 -2.866 8.577 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -10.089 -4.230 9.498 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -10.881 -2.200 9.513 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -10.014 -3.000 10.091 1.00 0.00 N ATOM 0 H HIS A 71 -12.418 -3.654 6.104 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.973 -4.903 6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -12.646 -5.146 7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.310 -6.194 8.005 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -12.231 -2.485 7.968 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.499 -5.099 9.751 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.050 -1.164 9.768 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.443 -6.915 5.317 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.690 -8.213 4.776 1.00 0.00 C ATOM 1067 C LEU A 72 -12.213 -8.429 3.341 1.00 0.00 C ATOM 1068 O LEU A 72 -11.436 -9.308 3.125 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.084 -8.824 5.144 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.361 -7.982 4.957 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.715 -7.783 3.502 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.517 -8.624 5.693 1.00 0.00 C ATOM 0 H LEU A 72 -13.279 -6.382 5.556 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.003 -8.854 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.206 -9.734 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.042 -9.123 6.191 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.162 -6.995 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.622 -7.183 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.898 -7.269 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.881 -8.752 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.415 -8.022 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.688 -9.626 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.282 -8.687 6.755 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.575 -7.603 2.382 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.068 -7.872 1.026 1.00 0.00 C ATOM 1086 C LEU A 73 -10.689 -7.321 0.755 1.00 0.00 C ATOM 1087 O LEU A 73 -9.783 -8.112 0.441 1.00 0.00 O ATOM 1088 CB LEU A 73 -13.035 -7.569 -0.119 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.936 -8.727 -0.598 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.110 -9.937 -1.028 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.941 -9.119 0.448 1.00 0.00 C ATOM 0 H LEU A 73 -13.178 -6.787 2.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.976 -8.958 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.678 -6.744 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.453 -7.218 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.483 -8.363 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.776 -10.733 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.448 -9.654 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.515 -10.289 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.556 -9.937 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.421 -9.440 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.576 -8.264 0.681 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.499 -5.983 0.897 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.217 -5.363 0.636 1.00 0.00 C ATOM 1105 C TRP A 74 -8.123 -6.080 1.440 1.00 0.00 C ATOM 1106 O TRP A 74 -7.061 -6.394 0.958 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.211 -3.857 1.057 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.922 -2.762 0.198 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.925 -2.841 -0.763 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.570 -1.382 0.252 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.235 -1.561 -1.239 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.413 -0.660 -0.607 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.626 -0.719 0.978 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.317 0.726 -0.742 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.508 0.670 0.857 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.366 1.376 0.011 1.00 0.00 C ATOM 0 H TRP A 74 -11.228 -5.333 1.191 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.031 -5.438 -0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.645 -3.806 2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.167 -3.559 1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.395 -3.755 -1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.947 -1.337 -1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.972 -1.263 1.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.966 1.269 -1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.752 1.197 1.419 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.282 2.451 -0.053 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.421 -6.341 2.649 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.440 -6.844 3.557 1.00 0.00 C ATOM 1129 C LYS A 75 -7.228 -8.335 3.634 1.00 0.00 C ATOM 1130 O LYS A 75 -6.084 -8.748 3.792 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.454 -6.124 4.864 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.350 -4.625 4.649 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.992 -4.202 4.078 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.939 -4.222 5.188 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.634 -3.665 4.786 1.00 0.00 N ATOM 0 H LYS A 75 -9.350 -6.216 3.051 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.502 -6.584 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.372 -6.357 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.625 -6.467 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.141 -4.304 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.516 -4.114 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.699 -4.876 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.062 -3.203 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.315 -3.659 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.797 -5.250 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.174 -3.229 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.031 -4.427 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.776 -2.946 4.048 1.00 0.00 H new ATOM 1149 N SER A 76 -8.270 -9.166 3.513 1.00 0.00 N ATOM 1150 CA SER A 76 -8.005 -10.606 3.557 1.00 0.00 C ATOM 1151 C SER A 76 -7.173 -10.960 2.339 1.00 0.00 C ATOM 1152 O SER A 76 -6.183 -11.709 2.418 1.00 0.00 O ATOM 1153 CB SER A 76 -9.287 -11.451 3.602 1.00 0.00 C ATOM 1154 OG SER A 76 -10.040 -11.323 2.403 1.00 0.00 O ATOM 0 H SER A 76 -9.244 -8.890 3.391 1.00 0.00 H new ATOM 0 HA SER A 76 -7.470 -10.835 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.028 -12.498 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.897 -11.142 4.451 1.00 0.00 H new ATOM 0 HG SER A 76 -10.494 -10.454 2.393 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.536 -10.335 1.230 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.829 -10.500 -0.002 1.00 0.00 C ATOM 1162 C GLU A 77 -5.447 -9.886 0.095 1.00 0.00 C ATOM 1163 O GLU A 77 -4.546 -10.340 -0.574 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.611 -9.879 -1.152 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.940 -10.544 -1.469 1.00 0.00 C ATOM 1166 CD GLU A 77 -8.782 -11.840 -2.208 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.429 -11.792 -3.400 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -9.060 -12.905 -1.645 1.00 0.00 O ATOM 0 H GLU A 77 -8.333 -9.701 1.173 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.719 -11.567 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.795 -8.830 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.989 -9.903 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.481 -10.725 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.548 -9.863 -2.065 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.283 -8.849 0.929 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.976 -8.238 1.137 1.00 0.00 C ATOM 1177 C PHE A 78 -2.995 -9.264 1.587 1.00 0.00 C ATOM 1178 O PHE A 78 -1.949 -9.434 0.982 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.073 -7.101 2.158 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.771 -6.459 2.487 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -2.142 -5.638 1.578 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.180 -6.674 3.720 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.947 -5.043 1.886 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.984 -6.083 4.032 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.364 -5.267 3.114 1.00 0.00 C ATOM 0 H PHE A 78 -6.039 -8.423 1.465 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.631 -7.820 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.753 -6.340 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.515 -7.489 3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.595 -5.462 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.666 -7.313 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.463 -4.399 1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.529 -6.257 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.580 -4.802 3.356 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.369 -9.965 2.611 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.558 -10.996 3.180 1.00 0.00 C ATOM 1197 C PHE A 79 -2.276 -12.113 2.178 1.00 0.00 C ATOM 1198 O PHE A 79 -1.118 -12.473 1.960 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.234 -11.520 4.431 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.184 -10.525 5.571 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.006 -10.300 6.261 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.306 -9.800 5.936 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.947 -9.370 7.287 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.256 -8.872 6.962 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.077 -8.655 7.638 1.00 0.00 C ATOM 0 H PHE A 79 -4.263 -9.835 3.084 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.587 -10.579 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.273 -11.760 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.752 -12.448 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.120 -10.857 5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.236 -9.961 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.018 -9.204 7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.143 -8.318 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.035 -7.931 8.438 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.323 -12.588 1.528 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.220 -13.685 0.564 1.00 0.00 C ATOM 1217 C GLU A 80 -2.328 -13.325 -0.617 1.00 0.00 C ATOM 1218 O GLU A 80 -1.351 -14.013 -0.880 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.604 -14.083 0.067 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.548 -14.528 1.172 1.00 0.00 C ATOM 1221 CD GLU A 80 -5.137 -15.818 1.855 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -4.166 -15.837 2.645 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -5.814 -16.832 1.645 1.00 0.00 O ATOM 0 H GLU A 80 -4.270 -12.229 1.648 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.762 -14.529 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.048 -13.238 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.501 -14.891 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.613 -13.738 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.547 -14.653 0.754 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.648 -12.218 -1.285 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.946 -11.785 -2.504 1.00 0.00 C ATOM 1232 C ASN A 81 -0.492 -11.465 -2.252 1.00 0.00 C ATOM 1233 O ASN A 81 0.378 -11.853 -3.051 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.625 -10.573 -3.151 1.00 0.00 C ATOM 1235 CG ASN A 81 -4.018 -10.854 -3.670 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -4.350 -11.975 -4.077 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.843 -9.843 -3.676 1.00 0.00 N ATOM 0 H ASN A 81 -3.401 -11.592 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.997 -12.632 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.676 -9.765 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.006 -10.219 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.794 -9.963 -4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.536 -8.933 -3.333 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.218 -10.758 -1.162 1.00 0.00 N ATOM 1245 CA CYS A 82 1.146 -10.397 -0.807 1.00 0.00 C ATOM 1246 C CYS A 82 1.986 -11.638 -0.582 1.00 0.00 C ATOM 1247 O CYS A 82 3.025 -11.819 -1.209 1.00 0.00 O ATOM 1248 CB CYS A 82 1.166 -9.500 0.434 1.00 0.00 C ATOM 1249 SG CYS A 82 0.405 -7.881 0.184 1.00 0.00 S ATOM 0 H CYS A 82 -0.926 -10.423 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 82 1.576 -9.838 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.650 -10.011 1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.199 -9.359 0.751 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.881 -7.976 0.348 1.00 0.00 H new ATOM 1255 N ARG A 83 1.485 -12.530 0.242 1.00 0.00 N ATOM 1256 CA ARG A 83 2.197 -13.740 0.586 1.00 0.00 C ATOM 1257 C ARG A 83 2.298 -14.699 -0.580 1.00 0.00 C ATOM 1258 O ARG A 83 3.283 -15.384 -0.724 1.00 0.00 O ATOM 1259 CB ARG A 83 1.575 -14.377 1.816 1.00 0.00 C ATOM 1260 CG ARG A 83 1.810 -13.543 3.054 1.00 0.00 C ATOM 1261 CD ARG A 83 3.262 -13.648 3.473 1.00 0.00 C ATOM 1262 NE ARG A 83 3.662 -12.653 4.467 1.00 0.00 N ATOM 1263 CZ ARG A 83 3.670 -12.838 5.791 1.00 0.00 C ATOM 1264 NH1 ARG A 83 3.101 -13.916 6.331 1.00 0.00 N ATOM 1265 NH2 ARG A 83 4.220 -11.926 6.565 1.00 0.00 N ATOM 0 H ARG A 83 0.574 -12.438 0.692 1.00 0.00 H new ATOM 0 HA ARG A 83 3.225 -13.474 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.504 -14.502 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.994 -15.372 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.553 -12.502 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.163 -13.884 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.443 -14.644 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.894 -13.542 2.591 1.00 0.00 H new ATOM 0 HE ARG A 83 3.960 -11.741 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.653 -14.610 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.113 -14.047 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.634 -11.090 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.232 -12.056 7.577 1.00 0.00 H new ATOM 1279 N ASP A 84 1.306 -14.683 -1.428 1.00 0.00 N ATOM 1280 CA ASP A 84 1.238 -15.529 -2.636 1.00 0.00 C ATOM 1281 C ASP A 84 2.392 -15.176 -3.559 1.00 0.00 C ATOM 1282 O ASP A 84 3.213 -16.025 -3.965 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.075 -15.226 -3.341 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.480 -16.247 -4.365 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -0.443 -17.463 -4.064 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.857 -15.858 -5.487 1.00 0.00 O ATOM 0 H ASP A 84 0.494 -14.076 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 84 1.299 -16.584 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.864 -15.146 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.004 -14.253 -3.827 1.00 0.00 H new ATOM 1291 N THR A 85 2.474 -13.906 -3.812 1.00 0.00 N ATOM 1292 CA THR A 85 3.479 -13.305 -4.635 1.00 0.00 C ATOM 1293 C THR A 85 4.875 -13.448 -3.962 1.00 0.00 C ATOM 1294 O THR A 85 5.889 -13.727 -4.628 1.00 0.00 O ATOM 1295 CB THR A 85 3.088 -11.829 -4.800 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.772 -11.760 -5.402 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.090 -11.056 -5.631 1.00 0.00 C ATOM 0 H THR A 85 1.812 -13.229 -3.433 1.00 0.00 H new ATOM 0 HA THR A 85 3.544 -13.791 -5.609 1.00 0.00 H new ATOM 0 HB THR A 85 3.079 -11.365 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.089 -11.782 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.767 -10.018 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.067 -11.093 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.158 -11.499 -6.625 1.00 0.00 H new ATOM 1305 N ALA A 86 4.866 -13.359 -2.659 1.00 0.00 N ATOM 1306 CA ALA A 86 6.073 -13.522 -1.878 1.00 0.00 C ATOM 1307 C ALA A 86 6.596 -14.932 -2.044 1.00 0.00 C ATOM 1308 O ALA A 86 7.783 -15.120 -2.215 1.00 0.00 O ATOM 1309 CB ALA A 86 5.832 -13.220 -0.431 1.00 0.00 C ATOM 0 H ALA A 86 4.029 -13.173 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 86 6.818 -12.814 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.759 -13.352 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.489 -12.191 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.073 -13.897 -0.040 1.00 0.00 H new ATOM 1315 N LYS A 87 5.692 -15.920 -2.020 1.00 0.00 N ATOM 1316 CA LYS A 87 6.059 -17.327 -2.227 1.00 0.00 C ATOM 1317 C LYS A 87 6.765 -17.488 -3.555 1.00 0.00 C ATOM 1318 O LYS A 87 7.756 -18.201 -3.648 1.00 0.00 O ATOM 1319 CB LYS A 87 4.836 -18.252 -2.192 1.00 0.00 C ATOM 1320 CG LYS A 87 4.102 -18.290 -0.862 1.00 0.00 C ATOM 1321 CD LYS A 87 3.000 -19.348 -0.848 1.00 0.00 C ATOM 1322 CE LYS A 87 1.875 -19.015 -1.817 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.866 -20.081 -1.914 1.00 0.00 N ATOM 0 H LYS A 87 4.696 -15.769 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 87 6.723 -17.611 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.138 -17.937 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.156 -19.263 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.812 -18.496 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.668 -17.311 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.426 -20.318 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.595 -19.436 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.391 -18.092 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.297 -18.830 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.126 -19.798 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.318 -20.958 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.440 -20.242 -0.979 1.00 0.00 H new ATOM 1337 N ARG A 88 6.287 -16.755 -4.563 1.00 0.00 N ATOM 1338 CA ARG A 88 6.902 -16.791 -5.898 1.00 0.00 C ATOM 1339 C ARG A 88 8.354 -16.333 -5.848 1.00 0.00 C ATOM 1340 O ARG A 88 9.207 -16.886 -6.536 1.00 0.00 O ATOM 1341 CB ARG A 88 6.123 -15.962 -6.939 1.00 0.00 C ATOM 1342 CG ARG A 88 5.019 -16.710 -7.680 1.00 0.00 C ATOM 1343 CD ARG A 88 3.995 -17.299 -6.752 1.00 0.00 C ATOM 1344 NE ARG A 88 2.896 -17.939 -7.474 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.731 -18.245 -6.921 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.580 -18.125 -5.622 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.739 -18.710 -7.660 1.00 0.00 N ATOM 0 H ARG A 88 5.482 -16.133 -4.485 1.00 0.00 H new ATOM 0 HA ARG A 88 6.866 -17.832 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.681 -15.102 -6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.830 -15.574 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.526 -16.028 -8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.463 -17.506 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.475 -18.031 -6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.596 -16.514 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 88 3.034 -18.163 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.356 -17.798 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.687 -18.358 -5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.867 -18.836 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.154 -18.943 -7.226 1.00 0.00 H new ATOM 1361 N ASN A 89 8.646 -15.341 -5.037 1.00 0.00 N ATOM 1362 CA ASN A 89 10.025 -14.877 -4.938 1.00 0.00 C ATOM 1363 C ASN A 89 10.852 -15.665 -3.911 1.00 0.00 C ATOM 1364 O ASN A 89 12.088 -15.732 -4.025 1.00 0.00 O ATOM 1365 CB ASN A 89 10.141 -13.348 -4.762 1.00 0.00 C ATOM 1366 CG ASN A 89 9.619 -12.589 -5.991 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.574 -13.128 -7.114 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.305 -11.349 -5.821 1.00 0.00 N ATOM 0 H ASN A 89 7.974 -14.847 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 89 10.475 -15.093 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.579 -13.040 -3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.183 -13.081 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.011 -10.784 -6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.351 -10.934 -4.890 1.00 0.00 H new ATOM 1375 N GLN A 90 10.190 -16.289 -2.908 1.00 0.00 N ATOM 1376 CA GLN A 90 10.910 -17.127 -1.927 1.00 0.00 C ATOM 1377 C GLN A 90 11.543 -18.320 -2.621 1.00 0.00 C ATOM 1378 O GLN A 90 12.606 -18.779 -2.222 1.00 0.00 O ATOM 1379 CB GLN A 90 10.027 -17.623 -0.758 1.00 0.00 C ATOM 1380 CG GLN A 90 9.281 -16.543 0.029 1.00 0.00 C ATOM 1381 CD GLN A 90 10.105 -15.299 0.287 1.00 0.00 C ATOM 1382 OE1 GLN A 90 10.838 -15.209 1.257 1.00 0.00 O ATOM 1383 NE2 GLN A 90 9.945 -14.316 -0.556 1.00 0.00 N ATOM 0 H GLN A 90 9.183 -16.229 -2.760 1.00 0.00 H new ATOM 0 HA GLN A 90 11.675 -16.484 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.294 -18.325 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.657 -18.179 -0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.380 -16.264 -0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.959 -16.959 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.323 -14.427 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.442 -13.436 -0.414 1.00 0.00 H new ATOM 1392 N GLN A 91 10.877 -18.808 -3.671 1.00 0.00 N ATOM 1393 CA GLN A 91 11.397 -19.902 -4.531 1.00 0.00 C ATOM 1394 C GLN A 91 12.806 -19.586 -4.992 1.00 0.00 C ATOM 1395 O GLN A 91 13.683 -20.458 -5.034 1.00 0.00 O ATOM 1396 CB GLN A 91 10.573 -20.015 -5.802 1.00 0.00 C ATOM 1397 CG GLN A 91 9.086 -20.091 -5.616 1.00 0.00 C ATOM 1398 CD GLN A 91 8.606 -21.299 -4.835 1.00 0.00 C ATOM 1399 OE1 GLN A 91 9.199 -22.364 -4.875 1.00 0.00 O ATOM 1400 NE2 GLN A 91 7.544 -21.132 -4.109 1.00 0.00 N ATOM 0 H GLN A 91 9.961 -18.463 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 91 11.358 -20.817 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.797 -19.156 -6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.897 -20.903 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.751 -19.188 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.611 -20.097 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.071 -20.228 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.182 -21.904 -3.550 1.00 0.00 H new ATOM 1409 N ALA A 92 13.013 -18.334 -5.321 1.00 0.00 N ATOM 1410 CA ALA A 92 14.264 -17.894 -5.848 1.00 0.00 C ATOM 1411 C ALA A 92 15.293 -17.684 -4.730 1.00 0.00 C ATOM 1412 O ALA A 92 16.493 -17.637 -4.978 1.00 0.00 O ATOM 1413 CB ALA A 92 14.064 -16.629 -6.655 1.00 0.00 C ATOM 0 H ALA A 92 12.313 -17.598 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 92 14.658 -18.668 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.022 -16.297 -7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.376 -16.827 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.649 -15.851 -6.015 1.00 0.00 H new ATOM 1419 N GLY A 93 14.797 -17.559 -3.499 1.00 0.00 N ATOM 1420 CA GLY A 93 15.654 -17.344 -2.344 1.00 0.00 C ATOM 1421 C GLY A 93 16.339 -16.009 -2.414 1.00 0.00 C ATOM 1422 O GLY A 93 17.544 -15.897 -2.225 1.00 0.00 O ATOM 0 H GLY A 93 13.802 -17.604 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.060 -17.403 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.401 -18.136 -2.290 1.00 0.00 H new ATOM 1426 N ASN A 94 15.569 -15.003 -2.744 1.00 0.00 N ATOM 1427 CA ASN A 94 16.081 -13.647 -2.885 1.00 0.00 C ATOM 1428 C ASN A 94 16.183 -12.932 -1.560 1.00 0.00 C ATOM 1429 O ASN A 94 17.006 -12.006 -1.405 1.00 0.00 O ATOM 1430 CB ASN A 94 15.180 -12.828 -3.826 1.00 0.00 C ATOM 1431 CG ASN A 94 15.186 -13.326 -5.259 1.00 0.00 C ATOM 1432 OD1 ASN A 94 16.180 -13.873 -5.746 1.00 0.00 O ATOM 1433 ND2 ASN A 94 14.078 -13.153 -5.943 1.00 0.00 N ATOM 0 H ASN A 94 14.569 -15.092 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 94 17.084 -13.733 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.158 -12.850 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.504 -11.787 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.020 -13.475 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.276 -12.697 -5.508 1.00 0.00 H new ATOM 1440 N GLY A 95 15.390 -13.376 -0.597 1.00 0.00 N ATOM 1441 CA GLY A 95 15.268 -12.659 0.651 1.00 0.00 C ATOM 1442 C GLY A 95 14.596 -11.347 0.353 1.00 0.00 C ATOM 1443 O GLY A 95 15.214 -10.275 0.427 1.00 0.00 O ATOM 0 H GLY A 95 14.827 -14.224 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.684 -13.235 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.249 -12.495 1.097 1.00 0.00 H new ATOM 1447 N TRP A 96 13.355 -11.431 -0.038 1.00 0.00 N ATOM 1448 CA TRP A 96 12.656 -10.304 -0.571 1.00 0.00 C ATOM 1449 C TRP A 96 11.181 -10.612 -0.478 1.00 0.00 C ATOM 1450 O TRP A 96 10.815 -11.793 -0.368 1.00 0.00 O ATOM 1451 CB TRP A 96 13.060 -10.226 -2.052 1.00 0.00 C ATOM 1452 CG TRP A 96 13.035 -8.889 -2.694 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.227 -7.678 -2.112 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.879 -8.647 -4.092 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.167 -6.690 -3.059 1.00 0.00 N ATOM 1456 CE2 TRP A 96 12.947 -7.263 -4.284 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.665 -9.477 -5.202 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 12.820 -6.687 -5.538 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 12.538 -8.898 -6.446 1.00 0.00 C ATOM 1460 CH2 TRP A 96 12.611 -7.518 -6.603 1.00 0.00 C ATOM 0 H TRP A 96 12.802 -12.287 0.006 1.00 0.00 H new ATOM 0 HA TRP A 96 12.878 -9.374 -0.048 1.00 0.00 H new ATOM 0 HB2 TRP A 96 14.069 -10.628 -2.148 1.00 0.00 H new ATOM 0 HB3 TRP A 96 12.400 -10.884 -2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.401 -7.517 -1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 96 13.269 -5.691 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 96 12.601 -10.549 -5.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 12.884 -5.617 -5.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.380 -9.525 -7.311 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.500 -7.093 -7.590 1.00 0.00 H new ATOM 1471 N ASP A 97 10.364 -9.586 -0.421 1.00 0.00 N ATOM 1472 CA ASP A 97 8.890 -9.690 -0.532 1.00 0.00 C ATOM 1473 C ASP A 97 8.179 -10.192 0.706 1.00 0.00 C ATOM 1474 O ASP A 97 7.408 -9.483 1.257 1.00 0.00 O ATOM 1475 CB ASP A 97 8.425 -10.480 -1.759 1.00 0.00 C ATOM 1476 CG ASP A 97 8.791 -9.820 -3.055 1.00 0.00 C ATOM 1477 OD1 ASP A 97 8.017 -9.007 -3.569 1.00 0.00 O ATOM 1478 OD2 ASP A 97 9.857 -10.134 -3.589 1.00 0.00 O ATOM 0 H ASP A 97 10.691 -8.628 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 97 8.593 -8.648 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.863 -11.478 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.343 -10.606 -1.715 1.00 0.00 H new ATOM 1483 N PHE A 98 8.474 -11.388 1.153 1.00 0.00 N ATOM 1484 CA PHE A 98 7.711 -12.032 2.245 1.00 0.00 C ATOM 1485 C PHE A 98 7.518 -11.149 3.497 1.00 0.00 C ATOM 1486 O PHE A 98 6.377 -10.937 3.949 1.00 0.00 O ATOM 1487 CB PHE A 98 8.289 -13.420 2.585 1.00 0.00 C ATOM 1488 CG PHE A 98 7.658 -14.093 3.778 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.505 -14.835 3.639 1.00 0.00 C ATOM 1490 CD2 PHE A 98 8.219 -13.967 5.038 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.922 -15.438 4.738 1.00 0.00 C ATOM 1492 CE2 PHE A 98 7.645 -14.564 6.139 1.00 0.00 C ATOM 1493 CZ PHE A 98 6.494 -15.299 5.989 1.00 0.00 C ATOM 0 H PHE A 98 9.239 -11.955 0.788 1.00 0.00 H new ATOM 0 HA PHE A 98 6.702 -12.173 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.174 -14.069 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.359 -13.318 2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.053 -14.946 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.124 -13.390 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.019 -16.018 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 98 8.097 -14.455 7.114 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.036 -15.768 6.848 1.00 0.00 H new ATOM 1503 N ASP A 99 8.597 -10.640 4.033 1.00 0.00 N ATOM 1504 CA ASP A 99 8.534 -9.799 5.222 1.00 0.00 C ATOM 1505 C ASP A 99 8.315 -8.342 4.879 1.00 0.00 C ATOM 1506 O ASP A 99 7.778 -7.587 5.666 1.00 0.00 O ATOM 1507 CB ASP A 99 9.778 -9.945 6.108 1.00 0.00 C ATOM 1508 CG ASP A 99 9.841 -11.265 6.851 1.00 0.00 C ATOM 1509 OD1 ASP A 99 9.104 -11.414 7.845 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.657 -12.149 6.489 1.00 0.00 O ATOM 0 H ASP A 99 9.539 -10.788 3.670 1.00 0.00 H new ATOM 0 HA ASP A 99 7.672 -10.153 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.669 -9.843 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.797 -9.129 6.831 1.00 0.00 H new ATOM 1515 N MET A 100 8.742 -7.958 3.715 1.00 0.00 N ATOM 1516 CA MET A 100 8.646 -6.569 3.252 1.00 0.00 C ATOM 1517 C MET A 100 7.213 -6.244 2.803 1.00 0.00 C ATOM 1518 O MET A 100 6.573 -5.319 3.298 1.00 0.00 O ATOM 1519 CB MET A 100 9.604 -6.373 2.077 1.00 0.00 C ATOM 1520 CG MET A 100 11.054 -6.667 2.405 1.00 0.00 C ATOM 1521 SD MET A 100 12.112 -6.583 0.959 1.00 0.00 S ATOM 1522 CE MET A 100 13.687 -7.026 1.689 1.00 0.00 C ATOM 0 H MET A 100 9.173 -8.589 3.040 1.00 0.00 H new ATOM 0 HA MET A 100 8.911 -5.901 4.072 1.00 0.00 H new ATOM 0 HB2 MET A 100 9.291 -7.017 1.255 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.524 -5.345 1.724 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.406 -5.955 3.152 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.129 -7.659 2.850 1.00 0.00 H new ATOM 0 HE1 MET A 100 14.497 -6.641 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.759 -6.596 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 100 13.765 -8.111 1.755 1.00 0.00 H new ATOM 1532 N LEU A 101 6.736 -7.033 1.897 1.00 0.00 N ATOM 1533 CA LEU A 101 5.432 -6.918 1.305 1.00 0.00 C ATOM 1534 C LEU A 101 4.403 -7.596 2.221 1.00 0.00 C ATOM 1535 O LEU A 101 4.217 -8.809 2.134 1.00 0.00 O ATOM 1536 CB LEU A 101 5.478 -7.637 -0.068 1.00 0.00 C ATOM 1537 CG LEU A 101 4.169 -7.876 -0.811 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.532 -6.593 -1.229 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.394 -8.795 -2.001 1.00 0.00 C ATOM 0 H LEU A 101 7.270 -7.819 1.526 1.00 0.00 H new ATOM 0 HA LEU A 101 5.149 -5.874 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.129 -7.058 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.955 -8.605 0.081 1.00 0.00 H new ATOM 0 HG LEU A 101 3.478 -8.367 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.601 -6.804 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.321 -5.987 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.208 -6.050 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.449 -8.955 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.110 -8.338 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.784 -9.752 -1.653 1.00 0.00 H new ATOM 1551 N THR A 102 3.890 -6.826 3.205 1.00 0.00 N ATOM 1552 CA THR A 102 2.787 -7.239 4.141 1.00 0.00 C ATOM 1553 C THR A 102 2.666 -6.308 5.358 1.00 0.00 C ATOM 1554 O THR A 102 1.768 -5.473 5.462 1.00 0.00 O ATOM 1555 CB THR A 102 2.927 -8.704 4.738 1.00 0.00 C ATOM 1556 OG1 THR A 102 4.302 -9.089 4.942 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.140 -9.772 3.974 1.00 0.00 C ATOM 0 H THR A 102 4.227 -5.881 3.386 1.00 0.00 H new ATOM 0 HA THR A 102 1.909 -7.189 3.496 1.00 0.00 H new ATOM 0 HB THR A 102 2.457 -8.648 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.586 -9.684 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.290 -10.743 4.447 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.079 -9.522 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.490 -9.813 2.942 1.00 0.00 H new ATOM 1565 N GLY A 103 3.615 -6.456 6.231 1.00 0.00 N ATOM 1566 CA GLY A 103 3.559 -5.905 7.565 1.00 0.00 C ATOM 1567 C GLY A 103 3.613 -7.107 8.450 1.00 0.00 C ATOM 1568 O GLY A 103 2.774 -7.336 9.321 1.00 0.00 O ATOM 0 H GLY A 103 4.473 -6.974 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.394 -5.231 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.645 -5.333 7.723 1.00 0.00 H new ATOM 1572 N SER A 104 4.599 -7.888 8.124 1.00 0.00 N ATOM 1573 CA SER A 104 4.850 -9.228 8.558 1.00 0.00 C ATOM 1574 C SER A 104 4.819 -9.488 10.071 1.00 0.00 C ATOM 1575 O SER A 104 4.640 -10.636 10.471 1.00 0.00 O ATOM 1576 CB SER A 104 6.198 -9.657 7.963 1.00 0.00 C ATOM 1577 OG SER A 104 6.513 -11.000 8.248 1.00 0.00 O ATOM 0 H SER A 104 5.322 -7.567 7.480 1.00 0.00 H new ATOM 0 HA SER A 104 4.013 -9.826 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.176 -9.514 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.985 -9.012 8.354 1.00 0.00 H new ATOM 0 HG SER A 104 7.470 -11.151 8.098 1.00 0.00 H new ATOM 1583 N GLY A 105 4.937 -8.481 10.949 1.00 0.00 N ATOM 1584 CA GLY A 105 5.056 -8.749 12.359 1.00 0.00 C ATOM 1585 C GLY A 105 6.505 -8.976 12.741 1.00 0.00 C ATOM 1586 O GLY A 105 6.995 -8.387 13.687 1.00 0.00 O ATOM 0 H GLY A 105 4.951 -7.493 10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.651 -7.912 12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.465 -9.627 12.619 1.00 0.00 H new ATOM 1590 N ASN A 106 7.190 -9.796 11.949 1.00 0.00 N ATOM 1591 CA ASN A 106 8.603 -10.165 12.172 1.00 0.00 C ATOM 1592 C ASN A 106 9.500 -8.943 12.237 1.00 0.00 C ATOM 1593 O ASN A 106 10.408 -8.868 13.068 1.00 0.00 O ATOM 1594 CB ASN A 106 9.098 -11.125 11.088 1.00 0.00 C ATOM 1595 CG ASN A 106 8.310 -12.417 11.044 1.00 0.00 C ATOM 1596 OD1 ASN A 106 7.764 -12.864 12.057 1.00 0.00 O ATOM 1597 ND2 ASN A 106 8.234 -13.020 9.889 1.00 0.00 N ATOM 0 H ASN A 106 6.784 -10.233 11.122 1.00 0.00 H new ATOM 0 HA ASN A 106 8.652 -10.670 13.136 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.035 -10.633 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.150 -11.352 11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.710 -13.891 9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.698 -12.620 9.074 1.00 0.00 H new ATOM 1604 N TYR A 107 9.258 -7.998 11.341 1.00 0.00 N ATOM 1605 CA TYR A 107 9.934 -6.716 11.371 1.00 0.00 C ATOM 1606 C TYR A 107 9.234 -5.723 10.467 1.00 0.00 C ATOM 1607 O TYR A 107 8.563 -4.818 10.962 1.00 0.00 O ATOM 1608 CB TYR A 107 11.493 -6.784 11.122 1.00 0.00 C ATOM 1609 CG TYR A 107 11.995 -7.221 9.745 1.00 0.00 C ATOM 1610 CD1 TYR A 107 11.965 -8.547 9.339 1.00 0.00 C ATOM 1611 CD2 TYR A 107 12.542 -6.282 8.870 1.00 0.00 C ATOM 1612 CE1 TYR A 107 12.467 -8.917 8.101 1.00 0.00 C ATOM 1613 CE2 TYR A 107 13.030 -6.644 7.641 1.00 0.00 C ATOM 1614 CZ TYR A 107 12.997 -7.957 7.259 1.00 0.00 C ATOM 1615 OH TYR A 107 13.516 -8.313 6.038 1.00 0.00 O ATOM 0 H TYR A 107 8.590 -8.100 10.577 1.00 0.00 H new ATOM 0 HA TYR A 107 9.857 -6.356 12.397 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.904 -5.795 11.326 1.00 0.00 H new ATOM 0 HB3 TYR A 107 11.917 -7.464 11.860 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.547 -9.298 9.993 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.582 -5.245 9.168 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.444 -9.952 7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.439 -5.896 6.978 1.00 0.00 H new ATOM 0 HH TYR A 107 13.844 -7.513 5.576 1.00 0.00 H new ATOM 1625 N SER A 108 9.341 -5.935 9.136 1.00 0.00 N ATOM 1626 CA SER A 108 8.778 -5.032 8.129 1.00 0.00 C ATOM 1627 C SER A 108 9.244 -3.604 8.376 1.00 0.00 C ATOM 1628 O SER A 108 8.509 -2.630 8.161 1.00 0.00 O ATOM 1629 CB SER A 108 7.270 -5.149 8.131 1.00 0.00 C ATOM 1630 OG SER A 108 6.901 -6.472 7.817 1.00 0.00 O ATOM 0 H SER A 108 9.823 -6.741 8.738 1.00 0.00 H new ATOM 0 HA SER A 108 9.135 -5.316 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 108 6.874 -4.872 9.108 1.00 0.00 H new ATOM 0 HB3 SER A 108 6.840 -4.458 7.406 1.00 0.00 H new ATOM 0 HG SER A 108 7.022 -6.626 6.857 1.00 0.00 H new ATOM 1636 N SER A 109 10.484 -3.512 8.826 1.00 0.00 N ATOM 1637 CA SER A 109 11.137 -2.272 9.125 1.00 0.00 C ATOM 1638 C SER A 109 11.116 -1.347 7.917 1.00 0.00 C ATOM 1639 O SER A 109 11.409 -1.783 6.782 1.00 0.00 O ATOM 1640 CB SER A 109 12.564 -2.557 9.563 1.00 0.00 C ATOM 1641 OG SER A 109 12.568 -3.509 10.623 1.00 0.00 O ATOM 0 H SER A 109 11.072 -4.328 8.995 1.00 0.00 H new ATOM 0 HA SER A 109 10.606 -1.769 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.143 -2.936 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.044 -1.635 9.890 1.00 0.00 H new ATOM 0 HG SER A 109 13.491 -3.688 10.898 1.00 0.00 H new ATOM 1647 N THR A 110 10.774 -0.084 8.179 1.00 0.00 N ATOM 1648 CA THR A 110 10.629 0.969 7.185 1.00 0.00 C ATOM 1649 C THR A 110 11.807 0.990 6.220 1.00 0.00 C ATOM 1650 O THR A 110 11.616 1.092 5.018 1.00 0.00 O ATOM 1651 CB THR A 110 10.490 2.320 7.915 1.00 0.00 C ATOM 1652 OG1 THR A 110 9.437 2.184 8.884 1.00 0.00 O ATOM 1653 CG2 THR A 110 10.131 3.445 6.954 1.00 0.00 C ATOM 0 H THR A 110 10.584 0.241 9.127 1.00 0.00 H new ATOM 0 HA THR A 110 9.736 0.779 6.589 1.00 0.00 H new ATOM 0 HB THR A 110 11.442 2.571 8.382 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.326 3.029 9.367 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.042 4.381 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.912 3.542 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.182 3.219 6.468 1.00 0.00 H new ATOM 1661 N ASP A 111 12.975 0.766 6.773 1.00 0.00 N ATOM 1662 CA ASP A 111 14.249 0.748 6.075 1.00 0.00 C ATOM 1663 C ASP A 111 14.200 -0.037 4.755 1.00 0.00 C ATOM 1664 O ASP A 111 14.337 0.540 3.687 1.00 0.00 O ATOM 1665 CB ASP A 111 15.315 0.108 6.982 1.00 0.00 C ATOM 1666 CG ASP A 111 15.434 0.773 8.333 1.00 0.00 C ATOM 1667 OD1 ASP A 111 14.652 0.410 9.248 1.00 0.00 O ATOM 1668 OD2 ASP A 111 16.309 1.654 8.514 1.00 0.00 O ATOM 0 H ASP A 111 13.073 0.582 7.771 1.00 0.00 H new ATOM 0 HA ASP A 111 14.494 1.783 5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.075 -0.946 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.281 0.149 6.479 1.00 0.00 H new ATOM 1673 N ALA A 112 13.869 -1.316 4.827 1.00 0.00 N ATOM 1674 CA ALA A 112 14.036 -2.227 3.682 1.00 0.00 C ATOM 1675 C ALA A 112 13.293 -1.774 2.410 1.00 0.00 C ATOM 1676 O ALA A 112 13.895 -1.653 1.335 1.00 0.00 O ATOM 1677 CB ALA A 112 13.631 -3.644 4.078 1.00 0.00 C ATOM 0 H ALA A 112 13.482 -1.757 5.662 1.00 0.00 H new ATOM 0 HA ALA A 112 15.094 -2.207 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.758 -4.311 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.258 -3.985 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.587 -3.650 4.391 1.00 0.00 H new ATOM 1683 N GLN A 113 12.007 -1.489 2.546 1.00 0.00 N ATOM 1684 CA GLN A 113 11.186 -1.101 1.387 1.00 0.00 C ATOM 1685 C GLN A 113 11.445 0.352 1.004 1.00 0.00 C ATOM 1686 O GLN A 113 11.361 0.712 -0.169 1.00 0.00 O ATOM 1687 CB GLN A 113 9.667 -1.285 1.650 1.00 0.00 C ATOM 1688 CG GLN A 113 9.311 -2.467 2.546 1.00 0.00 C ATOM 1689 CD GLN A 113 9.244 -2.084 4.025 1.00 0.00 C ATOM 1690 OE1 GLN A 113 9.879 -0.988 4.393 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 8.557 -2.717 4.807 1.00 0.00 N flip ATOM 0 H GLN A 113 11.505 -1.516 3.433 1.00 0.00 H new ATOM 0 HA GLN A 113 11.477 -1.762 0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.278 -0.373 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.159 -1.407 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.349 -2.876 2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 113 10.051 -3.256 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.077 -3.561 4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.462 -2.403 5.773 1.00 0.00 H new ATOM 1700 N MET A 114 11.792 1.185 2.000 1.00 0.00 N ATOM 1701 CA MET A 114 11.999 2.611 1.811 1.00 0.00 C ATOM 1702 C MET A 114 13.165 2.875 0.891 1.00 0.00 C ATOM 1703 O MET A 114 13.221 3.896 0.204 1.00 0.00 O ATOM 1704 CB MET A 114 12.219 3.256 3.177 1.00 0.00 C ATOM 1705 CG MET A 114 12.532 4.735 3.202 1.00 0.00 C ATOM 1706 SD MET A 114 12.585 5.337 4.905 1.00 0.00 S ATOM 1707 CE MET A 114 13.012 7.041 4.657 1.00 0.00 C ATOM 0 H MET A 114 11.935 0.875 2.961 1.00 0.00 H new ATOM 0 HA MET A 114 11.118 3.047 1.339 1.00 0.00 H new ATOM 0 HB2 MET A 114 11.324 3.090 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.036 2.730 3.671 1.00 0.00 H new ATOM 0 HG2 MET A 114 13.489 4.919 2.714 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.777 5.283 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 114 12.757 7.613 5.549 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.082 7.124 4.466 1.00 0.00 H new ATOM 0 HE3 MET A 114 12.459 7.434 3.804 1.00 0.00 H new ATOM 1717 N GLN A 115 14.080 1.942 0.867 1.00 0.00 N ATOM 1718 CA GLN A 115 15.216 2.051 0.017 1.00 0.00 C ATOM 1719 C GLN A 115 14.930 1.690 -1.454 1.00 0.00 C ATOM 1720 O GLN A 115 15.835 1.733 -2.272 1.00 0.00 O ATOM 1721 CB GLN A 115 16.460 1.375 0.604 1.00 0.00 C ATOM 1722 CG GLN A 115 17.253 2.286 1.559 1.00 0.00 C ATOM 1723 CD GLN A 115 16.481 2.791 2.761 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.849 3.844 2.709 1.00 0.00 O ATOM 1725 NE2 GLN A 115 16.551 2.084 3.845 1.00 0.00 N ATOM 0 H GLN A 115 14.052 1.095 1.435 1.00 0.00 H new ATOM 0 HA GLN A 115 15.459 3.113 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.158 0.475 1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.112 1.058 -0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.128 1.740 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.619 3.144 0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.084 1.215 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.073 2.397 4.690 1.00 0.00 H new ATOM 1734 N TYR A 116 13.671 1.327 -1.770 1.00 0.00 N ATOM 1735 CA TYR A 116 13.164 1.219 -3.137 1.00 0.00 C ATOM 1736 C TYR A 116 13.883 0.243 -4.062 1.00 0.00 C ATOM 1737 O TYR A 116 14.930 0.546 -4.647 1.00 0.00 O ATOM 1738 CB TYR A 116 13.064 2.609 -3.800 1.00 0.00 C ATOM 1739 CG TYR A 116 12.535 2.604 -5.227 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.194 2.393 -5.485 1.00 0.00 C ATOM 1741 CD2 TYR A 116 13.385 2.817 -6.313 1.00 0.00 C ATOM 1742 CE1 TYR A 116 10.708 2.391 -6.776 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.902 2.823 -7.605 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.564 2.607 -7.829 1.00 0.00 C ATOM 1745 OH TYR A 116 11.071 2.619 -9.113 1.00 0.00 O ATOM 0 H TYR A 116 12.972 1.098 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 116 12.175 0.780 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 116 12.417 3.240 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.052 3.069 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 116 10.515 2.227 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.438 2.980 -6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 116 9.657 2.220 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 116 13.571 2.996 -8.435 1.00 0.00 H new ATOM 0 HH TYR A 116 11.803 2.785 -9.743 1.00 0.00 H new ATOM 1755 N ASP A 117 13.322 -0.910 -4.189 1.00 0.00 N ATOM 1756 CA ASP A 117 13.710 -1.810 -5.239 1.00 0.00 C ATOM 1757 C ASP A 117 12.620 -1.668 -6.272 1.00 0.00 C ATOM 1758 O ASP A 117 11.445 -1.789 -5.912 1.00 0.00 O ATOM 1759 CB ASP A 117 13.744 -3.279 -4.789 1.00 0.00 C ATOM 1760 CG ASP A 117 14.799 -3.636 -3.776 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.537 -3.538 -2.568 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.890 -4.087 -4.182 1.00 0.00 O ATOM 0 H ASP A 117 12.586 -1.261 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 117 14.713 -1.567 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.769 -3.533 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.888 -3.905 -5.670 1.00 0.00 H new ATOM 1767 N PRO A 118 12.943 -1.378 -7.544 1.00 0.00 N ATOM 1768 CA PRO A 118 11.924 -1.201 -8.618 1.00 0.00 C ATOM 1769 C PRO A 118 11.004 -2.420 -8.779 1.00 0.00 C ATOM 1770 O PRO A 118 9.827 -2.295 -9.149 1.00 0.00 O ATOM 1771 CB PRO A 118 12.770 -1.024 -9.876 1.00 0.00 C ATOM 1772 CG PRO A 118 14.060 -0.482 -9.382 1.00 0.00 C ATOM 1773 CD PRO A 118 14.310 -1.154 -8.062 1.00 0.00 C ATOM 0 HA PRO A 118 11.256 -0.368 -8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.911 -1.971 -10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.296 -0.341 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.866 -0.690 -10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.010 0.601 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.856 -2.090 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.898 -0.526 -7.393 1.00 0.00 H new ATOM 1781 N GLY A 119 11.504 -3.569 -8.382 1.00 0.00 N ATOM 1782 CA GLY A 119 10.758 -4.775 -8.543 1.00 0.00 C ATOM 1783 C GLY A 119 9.840 -4.933 -7.369 1.00 0.00 C ATOM 1784 O GLY A 119 8.665 -5.193 -7.528 1.00 0.00 O ATOM 0 H GLY A 119 12.420 -3.683 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.185 -4.744 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.431 -5.629 -8.614 1.00 0.00 H new ATOM 1788 N LEU A 120 10.390 -4.688 -6.191 1.00 0.00 N ATOM 1789 CA LEU A 120 9.642 -4.755 -4.938 1.00 0.00 C ATOM 1790 C LEU A 120 8.495 -3.764 -5.002 1.00 0.00 C ATOM 1791 O LEU A 120 7.369 -4.084 -4.644 1.00 0.00 O ATOM 1792 CB LEU A 120 10.552 -4.382 -3.770 1.00 0.00 C ATOM 1793 CG LEU A 120 9.951 -4.447 -2.365 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.544 -5.880 -2.001 1.00 0.00 C ATOM 1795 CD2 LEU A 120 10.950 -3.894 -1.365 1.00 0.00 C ATOM 0 H LEU A 120 11.371 -4.436 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 120 9.264 -5.767 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.421 -5.039 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 120 10.915 -3.367 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 120 9.046 -3.839 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.120 -5.894 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.801 -6.239 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.421 -6.527 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.524 -3.939 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.864 -4.487 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.180 -2.858 -1.615 1.00 0.00 H new ATOM 1807 N PHE A 121 8.812 -2.530 -5.450 1.00 0.00 N ATOM 1808 CA PHE A 121 7.794 -1.497 -5.672 1.00 0.00 C ATOM 1809 C PHE A 121 6.652 -2.021 -6.559 1.00 0.00 C ATOM 1810 O PHE A 121 5.475 -1.816 -6.242 1.00 0.00 O ATOM 1811 CB PHE A 121 8.390 -0.217 -6.278 1.00 0.00 C ATOM 1812 CG PHE A 121 7.352 0.863 -6.517 1.00 0.00 C ATOM 1813 CD1 PHE A 121 6.770 1.525 -5.446 1.00 0.00 C ATOM 1814 CD2 PHE A 121 6.949 1.203 -7.801 1.00 0.00 C ATOM 1815 CE1 PHE A 121 5.811 2.498 -5.650 1.00 0.00 C ATOM 1816 CE2 PHE A 121 5.990 2.177 -8.005 1.00 0.00 C ATOM 1817 CZ PHE A 121 5.421 2.822 -6.929 1.00 0.00 C ATOM 0 H PHE A 121 9.764 -2.232 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 121 7.389 -1.244 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.162 0.169 -5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 121 8.877 -0.461 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.071 1.276 -4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.390 0.701 -8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.367 3.004 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 121 5.686 2.433 -9.009 1.00 0.00 H new ATOM 0 HZ PHE A 121 4.670 3.581 -7.089 1.00 0.00 H new ATOM 1827 N ALA A 122 7.001 -2.707 -7.648 1.00 0.00 N ATOM 1828 CA ALA A 122 5.988 -3.286 -8.521 1.00 0.00 C ATOM 1829 C ALA A 122 5.104 -4.280 -7.747 1.00 0.00 C ATOM 1830 O ALA A 122 3.874 -4.188 -7.812 1.00 0.00 O ATOM 1831 CB ALA A 122 6.620 -3.944 -9.750 1.00 0.00 C ATOM 0 H ALA A 122 7.964 -2.872 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 122 5.351 -2.476 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.837 -4.366 -10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.178 -3.198 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.296 -4.738 -9.431 1.00 0.00 H new ATOM 1837 N GLN A 123 5.731 -5.227 -7.017 1.00 0.00 N ATOM 1838 CA GLN A 123 4.970 -6.165 -6.177 1.00 0.00 C ATOM 1839 C GLN A 123 4.069 -5.462 -5.181 1.00 0.00 C ATOM 1840 O GLN A 123 2.865 -5.725 -5.158 1.00 0.00 O ATOM 1841 CB GLN A 123 5.817 -7.180 -5.401 1.00 0.00 C ATOM 1842 CG GLN A 123 6.370 -8.365 -6.169 1.00 0.00 C ATOM 1843 CD GLN A 123 7.645 -8.090 -6.887 1.00 0.00 C ATOM 1844 OE1 GLN A 123 7.653 -7.710 -8.059 1.00 0.00 O ATOM 1845 NE2 GLN A 123 8.734 -8.270 -6.186 1.00 0.00 N ATOM 0 H GLN A 123 6.742 -5.358 -6.994 1.00 0.00 H new ATOM 0 HA GLN A 123 4.379 -6.711 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.657 -6.646 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.212 -7.564 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.528 -9.191 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.624 -8.695 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.671 -8.586 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.646 -8.094 -6.607 1.00 0.00 H new ATOM 1854 N ILE A 124 4.646 -4.579 -4.353 1.00 0.00 N ATOM 1855 CA ILE A 124 3.887 -3.898 -3.304 1.00 0.00 C ATOM 1856 C ILE A 124 2.719 -3.123 -3.851 1.00 0.00 C ATOM 1857 O ILE A 124 1.624 -3.198 -3.304 1.00 0.00 O ATOM 1858 CB ILE A 124 4.747 -3.017 -2.321 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.545 -1.959 -3.048 1.00 0.00 C ATOM 1860 CG2 ILE A 124 5.684 -3.886 -1.487 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.224 -0.949 -2.137 1.00 0.00 C ATOM 0 H ILE A 124 5.633 -4.323 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 124 3.501 -4.713 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 124 4.043 -2.510 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.305 -2.449 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 124 4.883 -1.427 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.266 -3.254 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.098 -4.594 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.358 -4.432 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.774 -0.227 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.471 -0.429 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 124 6.915 -1.466 -1.471 1.00 0.00 H new ATOM 1873 N GLN A 125 2.915 -2.446 -4.959 1.00 0.00 N ATOM 1874 CA GLN A 125 1.845 -1.690 -5.542 1.00 0.00 C ATOM 1875 C GLN A 125 0.725 -2.614 -6.034 1.00 0.00 C ATOM 1876 O GLN A 125 -0.449 -2.467 -5.633 1.00 0.00 O ATOM 1877 CB GLN A 125 2.337 -0.852 -6.706 1.00 0.00 C ATOM 1878 CG GLN A 125 1.243 0.028 -7.230 1.00 0.00 C ATOM 1879 CD GLN A 125 1.625 0.878 -8.407 1.00 0.00 C ATOM 1880 OE1 GLN A 125 2.495 0.530 -9.216 1.00 0.00 O ATOM 1881 NE2 GLN A 125 0.948 1.983 -8.531 1.00 0.00 N ATOM 0 H GLN A 125 3.799 -2.407 -5.466 1.00 0.00 H new ATOM 0 HA GLN A 125 1.457 -1.032 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.181 -0.240 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.698 -1.504 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.397 -0.598 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 125 0.903 0.679 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.240 2.228 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.125 2.604 -9.321 1.00 0.00 H new ATOM 1890 N ALA A 126 1.102 -3.565 -6.871 1.00 0.00 N ATOM 1891 CA ALA A 126 0.163 -4.461 -7.512 1.00 0.00 C ATOM 1892 C ALA A 126 -0.593 -5.329 -6.511 1.00 0.00 C ATOM 1893 O ALA A 126 -1.819 -5.469 -6.607 1.00 0.00 O ATOM 1894 CB ALA A 126 0.869 -5.313 -8.551 1.00 0.00 C ATOM 0 H ALA A 126 2.075 -3.736 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.583 -3.844 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.149 -5.981 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.317 -4.668 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.649 -5.902 -8.069 1.00 0.00 H new ATOM 1900 N ALA A 127 0.110 -5.868 -5.524 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.525 -6.748 -4.564 1.00 0.00 C ATOM 1902 C ALA A 127 -1.486 -5.975 -3.690 1.00 0.00 C ATOM 1903 O ALA A 127 -2.584 -6.476 -3.362 1.00 0.00 O ATOM 1904 CB ALA A 127 0.504 -7.499 -3.727 1.00 0.00 C ATOM 0 H ALA A 127 1.106 -5.712 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.094 -7.494 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.008 -8.149 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.135 -8.101 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.122 -6.785 -3.183 1.00 0.00 H new ATOM 1910 N ALA A 128 -1.092 -4.744 -3.335 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.917 -3.900 -2.515 1.00 0.00 C ATOM 1912 C ALA A 128 -3.233 -3.615 -3.183 1.00 0.00 C ATOM 1913 O ALA A 128 -4.214 -4.029 -2.699 1.00 0.00 O ATOM 1914 CB ALA A 128 -1.218 -2.605 -2.173 1.00 0.00 C ATOM 0 H ALA A 128 -0.204 -4.327 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.107 -4.440 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.871 -1.992 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.298 -2.821 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.980 -2.067 -3.090 1.00 0.00 H new ATOM 1920 N THR A 129 -3.234 -2.966 -4.311 1.00 0.00 N ATOM 1921 CA THR A 129 -4.520 -2.646 -4.981 1.00 0.00 C ATOM 1922 C THR A 129 -5.398 -3.922 -5.271 1.00 0.00 C ATOM 1923 O THR A 129 -6.679 -3.899 -5.139 1.00 0.00 O ATOM 1924 CB THR A 129 -4.314 -1.771 -6.264 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.555 -1.517 -6.925 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.325 -2.406 -7.233 1.00 0.00 C ATOM 0 H THR A 129 -2.398 -2.643 -4.798 1.00 0.00 H new ATOM 0 HA THR A 129 -5.087 -2.045 -4.270 1.00 0.00 H new ATOM 0 HB THR A 129 -3.896 -0.821 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.468 -1.729 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.212 -1.767 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.359 -2.523 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.696 -3.383 -7.543 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.714 -5.073 -5.511 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.385 -6.332 -5.887 1.00 0.00 C ATOM 1936 C LYS A 130 -6.153 -6.843 -4.691 1.00 0.00 C ATOM 1937 O LYS A 130 -7.087 -7.605 -4.798 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.366 -7.396 -6.342 1.00 0.00 C ATOM 1939 CG LYS A 130 -5.013 -8.719 -6.764 1.00 0.00 C ATOM 1940 CD LYS A 130 -4.003 -9.820 -7.019 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.100 -9.522 -8.180 1.00 0.00 C ATOM 1942 NZ LYS A 130 -2.239 -10.673 -8.495 1.00 0.00 N ATOM 0 H LYS A 130 -3.699 -5.147 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 130 -6.059 -6.138 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.788 -7.001 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.664 -7.586 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.705 -9.042 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.601 -8.557 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -3.399 -9.968 -6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -4.531 -10.755 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -3.699 -9.263 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -2.482 -8.654 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -1.626 -10.438 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -1.651 -10.903 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -2.831 -11.493 -8.738 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.689 -6.451 -3.566 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.313 -6.667 -2.327 1.00 0.00 C ATOM 1958 C ALA A 131 -7.339 -5.581 -2.113 1.00 0.00 C ATOM 1959 O ALA A 131 -8.546 -5.856 -2.108 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.215 -6.609 -1.326 1.00 0.00 C ATOM 0 H ALA A 131 -4.810 -5.940 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.838 -7.620 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.623 -6.769 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.481 -7.384 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.735 -5.631 -1.369 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.857 -4.347 -2.134 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.573 -3.137 -1.756 1.00 0.00 C ATOM 1968 C TRP A 132 -8.628 -2.690 -2.776 1.00 0.00 C ATOM 1969 O TRP A 132 -8.874 -1.513 -2.960 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.628 -1.954 -1.416 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.654 -2.246 -0.322 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -5.153 -3.436 -0.058 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -5.068 -1.357 0.655 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.240 -3.387 0.875 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.160 -2.139 1.365 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.169 0.007 0.994 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.375 -1.638 2.357 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.390 0.481 1.995 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.502 -0.336 2.646 1.00 0.00 C ATOM 0 H TRP A 132 -5.901 -4.152 -2.432 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.104 -3.423 -0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -6.077 -1.674 -2.314 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.231 -1.092 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.461 -4.344 -0.554 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.674 -4.177 1.185 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.851 0.659 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.677 -2.266 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.469 1.518 2.285 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.881 0.086 3.422 1.00 0.00 H new ATOM 1990 N ARG A 133 -9.173 -3.596 -3.491 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.342 -3.280 -4.281 1.00 0.00 C ATOM 1992 C ARG A 133 -11.726 -3.999 -3.927 1.00 0.00 C ATOM 1993 O ARG A 133 -12.766 -3.349 -3.949 1.00 0.00 O ATOM 1994 CB ARG A 133 -10.015 -3.238 -5.797 1.00 0.00 C ATOM 1995 CG ARG A 133 -11.212 -2.994 -6.715 1.00 0.00 C ATOM 1996 CD ARG A 133 -12.001 -4.257 -6.958 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.415 -4.001 -7.292 1.00 0.00 N ATOM 1998 CZ ARG A 133 -14.013 -4.396 -8.426 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.301 -4.615 -9.518 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.332 -4.494 -8.473 1.00 0.00 N ATOM 0 H ARG A 133 -8.848 -4.560 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.585 -2.270 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.278 -2.454 -5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.549 -4.182 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.862 -2.240 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.864 -2.595 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.538 -4.817 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.952 -4.886 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.977 -3.488 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.290 -4.484 -9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.763 -4.915 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.890 -4.270 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.791 -4.794 -9.333 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.722 -5.284 -3.575 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.971 -6.151 -3.718 1.00 0.00 C ATOM 2016 C LYS A 134 -14.295 -5.925 -2.929 1.00 0.00 C ATOM 2017 O LYS A 134 -15.254 -6.667 -3.199 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.699 -7.652 -3.800 1.00 0.00 C ATOM 2019 CG LYS A 134 -12.172 -8.106 -5.146 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.816 -7.555 -5.398 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.836 -8.112 -4.409 1.00 0.00 C ATOM 2022 NZ LYS A 134 -9.459 -9.520 -4.722 1.00 0.00 N ATOM 0 H LYS A 134 -10.910 -5.770 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 134 -13.225 -5.682 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.979 -7.924 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.621 -8.191 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -12.138 -9.195 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.852 -7.784 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -10.499 -7.800 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.838 -6.468 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.940 -7.491 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -10.266 -8.067 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.742 -9.847 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -10.301 -10.127 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.071 -9.569 -5.686 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.421 -4.991 -2.023 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.719 -4.930 -1.309 1.00 0.00 C ATOM 2038 C LEU A 135 -16.840 -4.193 -2.065 1.00 0.00 C ATOM 2039 O LEU A 135 -16.558 -3.357 -2.922 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.687 -4.675 0.261 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.721 -3.678 0.883 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.322 -4.164 0.757 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.859 -2.299 0.325 1.00 0.00 C ATOM 0 H LEU A 135 -13.717 -4.302 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 135 -16.013 -5.979 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -16.691 -4.368 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -15.498 -5.638 0.735 1.00 0.00 H new ATOM 0 HG LEU A 135 -14.981 -3.606 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.643 -3.439 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.222 -5.121 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -13.074 -4.288 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.142 -1.637 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.666 -2.319 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.870 -1.933 0.504 1.00 0.00 H new ATOM 2055 N PRO A 136 -18.128 -4.591 -1.813 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.335 -4.036 -2.468 1.00 0.00 C ATOM 2057 C PRO A 136 -19.391 -2.517 -2.638 1.00 0.00 C ATOM 2058 O PRO A 136 -18.832 -1.726 -1.821 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.485 -4.504 -1.550 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.820 -5.145 -0.379 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.536 -5.674 -0.905 1.00 0.00 C ATOM 0 HA PRO A 136 -19.372 -4.387 -3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -21.106 -3.664 -1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -21.138 -5.208 -2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.651 -4.425 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -20.435 -5.944 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.806 -5.843 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -18.665 -6.622 -1.428 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.130 -2.117 -3.662 1.00 0.00 N ATOM 2070 CA VAL A 137 -20.316 -0.725 -4.013 1.00 0.00 C ATOM 2071 C VAL A 137 -21.285 -0.101 -2.998 1.00 0.00 C ATOM 2072 O VAL A 137 -21.971 -0.825 -2.256 1.00 0.00 O ATOM 2073 CB VAL A 137 -20.866 -0.585 -5.485 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -22.309 -1.051 -5.611 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -20.704 0.822 -6.040 1.00 0.00 C ATOM 0 H VAL A 137 -20.623 -2.763 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 137 -19.361 -0.201 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 137 -20.249 -1.248 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -22.640 -0.934 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -22.379 -2.100 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -22.943 -0.453 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -21.099 0.860 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.249 1.526 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -19.647 1.089 -6.052 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.324 1.195 -2.927 1.00 0.00 N ATOM 2086 CA LYS A 138 -22.178 1.847 -1.982 1.00 0.00 C ATOM 2087 C LYS A 138 -23.180 2.723 -2.673 1.00 0.00 C ATOM 2088 O LYS A 138 -22.831 3.742 -3.257 1.00 0.00 O ATOM 2089 CB LYS A 138 -21.368 2.657 -0.980 1.00 0.00 C ATOM 2090 CG LYS A 138 -20.461 1.834 -0.119 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.196 0.971 0.874 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.200 0.105 1.592 1.00 0.00 C ATOM 2093 NZ LYS A 138 -19.723 -0.999 0.731 1.00 0.00 N ATOM 0 H LYS A 138 -20.773 1.823 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 138 -22.719 1.072 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -20.771 3.391 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -22.053 3.213 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -19.846 1.198 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -19.783 2.497 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -21.738 1.593 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.935 0.353 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.352 0.711 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -20.656 -0.306 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -19.130 -1.645 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -20.539 -1.520 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -19.164 -0.610 -0.055 1.00 0.00 H new ATOM 2107 N GLY A 139 -24.400 2.292 -2.662 1.00 0.00 N ATOM 2108 CA GLY A 139 -25.465 3.125 -3.107 1.00 0.00 C ATOM 2109 C GLY A 139 -25.939 3.887 -1.915 1.00 0.00 C ATOM 2110 O GLY A 139 -25.626 5.069 -1.767 1.00 0.00 O ATOM 0 H GLY A 139 -24.682 1.364 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -25.125 3.803 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -26.272 2.528 -3.531 1.00 0.00 H new ATOM 2114 N ASP A 140 -26.657 3.170 -1.054 1.00 0.00 N ATOM 2115 CA ASP A 140 -27.104 3.601 0.277 1.00 0.00 C ATOM 2116 C ASP A 140 -27.734 4.982 0.292 1.00 0.00 C ATOM 2117 O ASP A 140 -27.029 5.980 0.536 1.00 0.00 O ATOM 2118 CB ASP A 140 -25.981 3.491 1.307 1.00 0.00 C ATOM 2119 CG ASP A 140 -26.501 3.542 2.721 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -27.072 2.539 3.183 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -26.346 4.560 3.401 1.00 0.00 O ATOM 2122 OXT ASP A 140 -28.963 5.083 0.047 1.00 0.00 O ATOM 0 H ASP A 140 -26.961 2.221 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 140 -27.898 2.909 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -25.440 2.557 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -25.269 4.302 1.154 1.00 0.00 H new TER 2127 ASP A 140