USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 680 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 Single : A 2 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.2!) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= -1.09 (180deg=-1.44) USER MOD Single : A 6 ASN :FLIP amide:sc= -1.87! C(o=-4.8!,f=-1.9!) USER MOD Single : A 7 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.797 K(o=-0.8,f=-3.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.498 K(o=-0.5,f=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.673 USER MOD Single : A 24 THR OG1 : rot -114:sc= -2.3! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.431 X(o=0.43,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 47 TYR OH : rot 120:sc= 0.747 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 21:sc= 0.162 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.62 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0911 USER MOD Single : A 68 ASN : amide:sc= -0.832 K(o=-0.83,f=-5.4!) USER MOD Single : A 69 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.91) USER MOD Single : A 71 SER OG : rot 68:sc= -0.862 USER MOD Single : A 72 CYS SG : rot 180:sc=-0.00261 USER MOD Single : A 73 SER OG : rot 46:sc= 0.0758 USER MOD Single : A 75 SER OG : rot 39:sc= 0.627 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -2.17! USER MOD Single : A 83 HIS : no HD1:sc= -2.03 K(o=-2,f=-3.2) USER MOD Single : A 85 MET CE :methyl 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.0357 (180deg=-0.456) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.741 K(o=-0.74,f=-9.1!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.512 -0.479 -1.040 1.00 53.43 N ATOM 9 CA ASN A 2 5.317 -1.673 -1.267 1.00 31.33 C ATOM 10 C ASN A 2 6.405 -1.805 -0.205 1.00 72.22 C ATOM 11 O ASN A 2 6.538 -0.952 0.672 1.00 31.03 O ATOM 12 CB ASN A 2 5.950 -1.631 -2.659 1.00 53.20 C ATOM 13 CG ASN A 2 5.010 -2.135 -3.737 1.00 32.21 C ATOM 14 OD1 ASN A 2 4.205 -3.036 -3.502 1.00 73.50 O ATOM 15 ND2 ASN A 2 5.109 -1.554 -4.927 1.00 73.51 N ATOM 0 HA ASN A 2 4.661 -2.541 -1.200 1.00 31.33 H new ATOM 0 HB2 ASN A 2 6.247 -0.608 -2.889 1.00 53.20 H new ATOM 0 HB3 ASN A 2 6.858 -2.235 -2.661 1.00 53.20 H new ATOM 0 HD21 ASN A 2 4.503 -1.851 -5.692 1.00 73.51 H new ATOM 0 HD22 ASN A 2 5.791 -0.811 -5.076 1.00 73.51 H new ATOM 22 N VAL A 3 7.182 -2.880 -0.292 1.00 74.41 N ATOM 23 CA VAL A 3 8.259 -3.124 0.659 1.00 3.12 C ATOM 24 C VAL A 3 9.623 -2.906 0.013 1.00 73.23 C ATOM 25 O VAL A 3 10.064 -3.705 -0.815 1.00 4.32 O ATOM 26 CB VAL A 3 8.195 -4.554 1.226 1.00 32.53 C ATOM 27 CG1 VAL A 3 7.007 -4.704 2.164 1.00 75.31 C ATOM 28 CG2 VAL A 3 8.125 -5.572 0.098 1.00 45.15 C ATOM 0 H VAL A 3 7.085 -3.596 -1.012 1.00 74.41 H new ATOM 0 HA VAL A 3 8.128 -2.412 1.474 1.00 3.12 H new ATOM 0 HB VAL A 3 9.105 -4.740 1.797 1.00 32.53 H new ATOM 0 HG11 VAL A 3 6.978 -5.721 2.555 1.00 75.31 H new ATOM 0 HG12 VAL A 3 7.105 -4.000 2.991 1.00 75.31 H new ATOM 0 HG13 VAL A 3 6.085 -4.498 1.620 1.00 75.31 H new ATOM 0 HG21 VAL A 3 8.080 -6.577 0.517 1.00 45.15 H new ATOM 0 HG22 VAL A 3 7.234 -5.389 -0.502 1.00 45.15 H new ATOM 0 HG23 VAL A 3 9.011 -5.480 -0.531 1.00 45.15 H new ATOM 38 N LEU A 4 10.286 -1.821 0.395 1.00 0.23 N ATOM 39 CA LEU A 4 11.601 -1.497 -0.147 1.00 22.23 C ATOM 40 C LEU A 4 12.581 -1.154 0.971 1.00 41.43 C ATOM 41 O LEU A 4 12.190 -0.635 2.016 1.00 2.55 O ATOM 42 CB LEU A 4 11.497 -0.327 -1.127 1.00 20.33 C ATOM 43 CG LEU A 4 10.455 0.740 -0.789 1.00 44.14 C ATOM 44 CD1 LEU A 4 10.898 2.100 -1.306 1.00 4.22 C ATOM 45 CD2 LEU A 4 9.099 0.364 -1.368 1.00 63.31 C ATOM 0 H LEU A 4 9.935 -1.150 1.078 1.00 0.23 H new ATOM 0 HA LEU A 4 11.975 -2.373 -0.676 1.00 22.23 H new ATOM 0 HB2 LEU A 4 12.473 0.154 -1.192 1.00 20.33 H new ATOM 0 HB3 LEU A 4 11.272 -0.726 -2.116 1.00 20.33 H new ATOM 0 HG LEU A 4 10.361 0.798 0.295 1.00 44.14 H new ATOM 0 HD11 LEU A 4 10.145 2.847 -1.057 1.00 4.22 H new ATOM 0 HD12 LEU A 4 11.847 2.373 -0.844 1.00 4.22 H new ATOM 0 HD13 LEU A 4 11.021 2.056 -2.388 1.00 4.22 H new ATOM 0 HD21 LEU A 4 8.370 1.135 -1.118 1.00 63.31 H new ATOM 0 HD22 LEU A 4 9.177 0.277 -2.452 1.00 63.31 H new ATOM 0 HD23 LEU A 4 8.777 -0.590 -0.950 1.00 63.31 H new ATOM 57 N LYS A 5 13.857 -1.445 0.742 1.00 42.43 N ATOM 58 CA LYS A 5 14.895 -1.164 1.727 1.00 41.15 C ATOM 59 C LYS A 5 16.283 -1.346 1.121 1.00 42.21 C ATOM 60 O LYS A 5 17.200 -0.577 1.406 1.00 24.32 O ATOM 61 CB LYS A 5 14.734 -2.079 2.943 1.00 52.33 C ATOM 62 CG LYS A 5 15.494 -1.601 4.168 1.00 33.11 C ATOM 63 CD LYS A 5 14.844 -0.373 4.784 1.00 60.14 C ATOM 64 CE LYS A 5 15.621 0.121 5.994 1.00 21.12 C ATOM 65 NZ LYS A 5 16.165 -1.006 6.801 1.00 4.25 N ATOM 0 H LYS A 5 14.197 -1.876 -0.118 1.00 42.43 H new ATOM 0 HA LYS A 5 14.789 -0.127 2.044 1.00 41.15 H new ATOM 0 HB2 LYS A 5 13.675 -2.158 3.190 1.00 52.33 H new ATOM 0 HB3 LYS A 5 15.076 -3.080 2.682 1.00 52.33 H new ATOM 0 HG2 LYS A 5 15.535 -2.401 4.907 1.00 33.11 H new ATOM 0 HG3 LYS A 5 16.523 -1.369 3.892 1.00 33.11 H new ATOM 0 HD2 LYS A 5 14.785 0.421 4.039 1.00 60.14 H new ATOM 0 HD3 LYS A 5 13.822 -0.610 5.079 1.00 60.14 H new ATOM 0 HE2 LYS A 5 16.440 0.760 5.664 1.00 21.12 H new ATOM 0 HE3 LYS A 5 14.971 0.734 6.618 1.00 21.12 H new ATOM 0 HZ1 LYS A 5 16.570 -0.636 7.685 1.00 4.25 H new ATOM 0 HZ2 LYS A 5 15.400 -1.675 7.023 1.00 4.25 H new ATOM 0 HZ3 LYS A 5 16.906 -1.495 6.259 1.00 4.25 H new ATOM 79 N ASN A 6 16.429 -2.367 0.283 1.00 40.13 N ATOM 80 CA ASN A 6 17.706 -2.649 -0.364 1.00 15.41 C ATOM 81 C ASN A 6 17.738 -2.073 -1.777 1.00 23.53 C ATOM 82 O ASN A 6 16.697 -1.878 -2.402 1.00 63.24 O ATOM 83 CB ASN A 6 17.956 -4.157 -0.410 1.00 31.35 C ATOM 84 CG ASN A 6 19.385 -4.495 -0.787 1.00 62.13 C ATOM 85 OD1 ASN A 6 20.340 -3.848 -0.129 1.00 32.35 O flip ATOM 86 ND2 ASN A 6 19.628 -5.328 -1.661 1.00 53.20 N flip ATOM 0 H ASN A 6 15.679 -3.013 0.036 1.00 40.13 H new ATOM 0 HA ASN A 6 18.494 -2.175 0.221 1.00 15.41 H new ATOM 0 HB2 ASN A 6 17.728 -4.590 0.564 1.00 31.35 H new ATOM 0 HB3 ASN A 6 17.276 -4.613 -1.129 1.00 31.35 H new ATOM 0 HD21 ASN A 6 18.863 -5.801 -2.141 1.00 53.20 H new ATOM 0 HD22 ASN A 6 20.595 -5.544 -1.905 1.00 53.20 H new ATOM 93 N ASN A 7 18.942 -1.805 -2.273 1.00 31.04 N ATOM 94 CA ASN A 7 19.111 -1.252 -3.612 1.00 32.34 C ATOM 95 C ASN A 7 18.905 0.259 -3.606 1.00 42.41 C ATOM 96 O ASN A 7 19.846 1.027 -3.814 1.00 30.53 O ATOM 97 CB ASN A 7 18.129 -1.908 -4.584 1.00 72.34 C ATOM 98 CG ASN A 7 18.668 -1.964 -6.001 1.00 0.23 C ATOM 99 OD1 ASN A 7 19.878 -1.906 -6.219 1.00 23.53 O ATOM 100 ND2 ASN A 7 17.769 -2.076 -6.972 1.00 2.52 N ATOM 0 H ASN A 7 19.814 -1.962 -1.768 1.00 31.04 H new ATOM 0 HA ASN A 7 20.130 -1.461 -3.939 1.00 32.34 H new ATOM 0 HB2 ASN A 7 17.905 -2.919 -4.243 1.00 72.34 H new ATOM 0 HB3 ASN A 7 17.190 -1.354 -4.577 1.00 72.34 H new ATOM 0 HD21 ASN A 7 18.072 -2.117 -7.945 1.00 2.52 H new ATOM 0 HD22 ASN A 7 16.776 -2.121 -6.745 1.00 2.52 H new ATOM 107 N THR A 8 17.668 0.682 -3.366 1.00 53.03 N ATOM 108 CA THR A 8 17.337 2.101 -3.334 1.00 5.21 C ATOM 109 C THR A 8 16.666 2.480 -2.019 1.00 22.43 C ATOM 110 O THR A 8 15.606 1.965 -1.664 1.00 74.45 O ATOM 111 CB THR A 8 16.410 2.489 -4.501 1.00 33.12 C ATOM 112 OG1 THR A 8 16.982 2.065 -5.743 1.00 72.22 O ATOM 113 CG2 THR A 8 16.177 3.992 -4.531 1.00 31.13 C ATOM 0 H THR A 8 16.878 0.061 -3.191 1.00 53.03 H new ATOM 0 HA THR A 8 18.276 2.646 -3.430 1.00 5.21 H new ATOM 0 HB THR A 8 15.451 1.992 -4.355 1.00 33.12 H new ATOM 0 HG1 THR A 8 16.386 2.314 -6.480 1.00 72.22 H new ATOM 0 HG21 THR A 8 15.519 4.242 -5.364 1.00 31.13 H new ATOM 0 HG22 THR A 8 15.714 4.307 -3.596 1.00 31.13 H new ATOM 0 HG23 THR A 8 17.130 4.506 -4.655 1.00 31.13 H new ATOM 121 N PRO A 9 17.296 3.402 -1.276 1.00 22.12 N ATOM 122 CA PRO A 9 16.776 3.871 0.012 1.00 23.21 C ATOM 123 C PRO A 9 15.516 4.715 -0.144 1.00 44.31 C ATOM 124 O PRO A 9 15.291 5.324 -1.190 1.00 12.41 O ATOM 125 CB PRO A 9 17.922 4.718 0.570 1.00 45.42 C ATOM 126 CG PRO A 9 18.678 5.171 -0.632 1.00 1.24 C ATOM 127 CD PRO A 9 18.564 4.058 -1.636 1.00 41.23 C ATOM 0 HA PRO A 9 16.485 3.044 0.660 1.00 23.21 H new ATOM 0 HB2 PRO A 9 17.545 5.565 1.143 1.00 45.42 H new ATOM 0 HB3 PRO A 9 18.555 4.136 1.240 1.00 45.42 H new ATOM 0 HG2 PRO A 9 18.263 6.098 -1.028 1.00 1.24 H new ATOM 0 HG3 PRO A 9 19.721 5.369 -0.385 1.00 1.24 H new ATOM 0 HD2 PRO A 9 18.544 4.439 -2.657 1.00 41.23 H new ATOM 0 HD3 PRO A 9 19.406 3.369 -1.569 1.00 41.23 H new ATOM 135 N VAL A 10 14.698 4.748 0.903 1.00 73.03 N ATOM 136 CA VAL A 10 13.461 5.520 0.882 1.00 32.51 C ATOM 137 C VAL A 10 13.739 7.008 1.058 1.00 54.20 C ATOM 138 O VAL A 10 14.196 7.444 2.114 1.00 4.21 O ATOM 139 CB VAL A 10 12.491 5.056 1.986 1.00 64.55 C ATOM 140 CG1 VAL A 10 11.113 5.665 1.777 1.00 65.11 C ATOM 141 CG2 VAL A 10 12.412 3.537 2.020 1.00 21.23 C ATOM 0 H VAL A 10 14.869 4.249 1.776 1.00 73.03 H new ATOM 0 HA VAL A 10 13.000 5.352 -0.091 1.00 32.51 H new ATOM 0 HB VAL A 10 12.871 5.400 2.948 1.00 64.55 H new ATOM 0 HG11 VAL A 10 10.442 5.326 2.566 1.00 65.11 H new ATOM 0 HG12 VAL A 10 11.187 6.752 1.806 1.00 65.11 H new ATOM 0 HG13 VAL A 10 10.721 5.354 0.809 1.00 65.11 H new ATOM 0 HG21 VAL A 10 11.723 3.226 2.805 1.00 21.23 H new ATOM 0 HG22 VAL A 10 12.055 3.170 1.058 1.00 21.23 H new ATOM 0 HG23 VAL A 10 13.401 3.126 2.222 1.00 21.23 H new ATOM 151 N SER A 11 13.458 7.784 0.016 1.00 51.11 N ATOM 152 CA SER A 11 13.681 9.225 0.054 1.00 74.35 C ATOM 153 C SER A 11 12.504 9.939 0.712 1.00 43.21 C ATOM 154 O SER A 11 11.354 9.531 0.562 1.00 55.22 O ATOM 155 CB SER A 11 13.894 9.766 -1.361 1.00 52.33 C ATOM 156 OG SER A 11 14.470 8.782 -2.203 1.00 2.34 O ATOM 0 H SER A 11 13.076 7.439 -0.865 1.00 51.11 H new ATOM 0 HA SER A 11 14.576 9.415 0.647 1.00 74.35 H new ATOM 0 HB2 SER A 11 12.940 10.091 -1.777 1.00 52.33 H new ATOM 0 HB3 SER A 11 14.541 10.642 -1.325 1.00 52.33 H new ATOM 0 HG SER A 11 14.594 9.152 -3.102 1.00 2.34 H new ATOM 162 N ASN A 12 12.803 11.009 1.442 1.00 23.42 N ATOM 163 CA ASN A 12 11.772 11.781 2.125 1.00 75.21 C ATOM 164 C ASN A 12 10.814 10.863 2.878 1.00 20.44 C ATOM 165 O ASN A 12 9.697 10.606 2.426 1.00 3.22 O ATOM 166 CB ASN A 12 10.994 12.633 1.120 1.00 71.23 C ATOM 167 CG ASN A 12 11.062 14.113 1.442 1.00 41.24 C ATOM 168 OD1 ASN A 12 10.373 14.597 2.339 1.00 34.14 O ATOM 169 ND2 ASN A 12 11.896 14.840 0.707 1.00 4.25 N ATOM 0 H ASN A 12 13.751 11.361 1.575 1.00 23.42 H new ATOM 0 HA ASN A 12 12.262 12.436 2.846 1.00 75.21 H new ATOM 0 HB2 ASN A 12 11.391 12.463 0.119 1.00 71.23 H new ATOM 0 HB3 ASN A 12 9.952 12.314 1.108 1.00 71.23 H new ATOM 0 HD21 ASN A 12 11.984 15.842 0.876 1.00 4.25 H new ATOM 0 HD22 ASN A 12 12.448 14.396 -0.027 1.00 4.25 H new ATOM 176 N LEU A 13 11.258 10.371 4.030 1.00 60.23 N ATOM 177 CA LEU A 13 10.441 9.481 4.848 1.00 52.33 C ATOM 178 C LEU A 13 9.320 10.252 5.538 1.00 40.34 C ATOM 179 O LEU A 13 9.108 11.435 5.269 1.00 3.43 O ATOM 180 CB LEU A 13 11.308 8.776 5.892 1.00 41.11 C ATOM 181 CG LEU A 13 11.864 7.409 5.491 1.00 51.35 C ATOM 182 CD1 LEU A 13 13.349 7.323 5.808 1.00 34.42 C ATOM 183 CD2 LEU A 13 11.100 6.296 6.193 1.00 64.12 C ATOM 0 H LEU A 13 12.179 10.573 4.418 1.00 60.23 H new ATOM 0 HA LEU A 13 9.993 8.734 4.192 1.00 52.33 H new ATOM 0 HB2 LEU A 13 12.146 9.428 6.140 1.00 41.11 H new ATOM 0 HB3 LEU A 13 10.719 8.654 6.801 1.00 41.11 H new ATOM 0 HG LEU A 13 11.736 7.287 4.415 1.00 51.35 H new ATOM 0 HD11 LEU A 13 13.727 6.343 5.516 1.00 34.42 H new ATOM 0 HD12 LEU A 13 13.884 8.097 5.258 1.00 34.42 H new ATOM 0 HD13 LEU A 13 13.502 7.467 6.878 1.00 34.42 H new ATOM 0 HD21 LEU A 13 11.509 5.330 5.896 1.00 64.12 H new ATOM 0 HD22 LEU A 13 11.195 6.414 7.272 1.00 64.12 H new ATOM 0 HD23 LEU A 13 10.047 6.345 5.914 1.00 64.12 H new ATOM 195 N THR A 14 8.605 9.575 6.430 1.00 32.33 N ATOM 196 CA THR A 14 7.507 10.196 7.160 1.00 75.51 C ATOM 197 C THR A 14 7.541 9.813 8.635 1.00 33.11 C ATOM 198 O THR A 14 7.786 8.658 8.981 1.00 3.24 O ATOM 199 CB THR A 14 6.142 9.795 6.569 1.00 72.22 C ATOM 200 OG1 THR A 14 6.113 8.386 6.314 1.00 51.02 O ATOM 201 CG2 THR A 14 5.866 10.554 5.280 1.00 43.31 C ATOM 0 H THR A 14 8.767 8.596 6.665 1.00 32.33 H new ATOM 0 HA THR A 14 7.634 11.274 7.064 1.00 75.51 H new ATOM 0 HB THR A 14 5.369 10.049 7.294 1.00 72.22 H new ATOM 0 HG1 THR A 14 5.241 8.139 5.940 1.00 51.02 H new ATOM 0 HG21 THR A 14 4.897 10.254 4.882 1.00 43.31 H new ATOM 0 HG22 THR A 14 5.859 11.625 5.483 1.00 43.31 H new ATOM 0 HG23 THR A 14 6.644 10.328 4.551 1.00 43.31 H new ATOM 209 N GLY A 15 7.292 10.790 9.501 1.00 12.45 N ATOM 210 CA GLY A 15 7.298 10.535 10.930 1.00 4.10 C ATOM 211 C GLY A 15 6.204 11.289 11.659 1.00 75.42 C ATOM 212 O GLY A 15 6.481 12.109 12.533 1.00 62.43 O ATOM 0 H GLY A 15 7.086 11.754 9.239 1.00 12.45 H new ATOM 0 HA2 GLY A 15 7.177 9.466 11.105 1.00 4.10 H new ATOM 0 HA3 GLY A 15 8.267 10.818 11.342 1.00 4.10 H new ATOM 216 N ASN A 16 4.955 11.011 11.297 1.00 10.32 N ATOM 217 CA ASN A 16 3.814 11.671 11.922 1.00 40.14 C ATOM 218 C ASN A 16 3.532 11.081 13.300 1.00 74.32 C ATOM 219 O ASN A 16 3.999 9.990 13.628 1.00 33.11 O ATOM 220 CB ASN A 16 2.574 11.540 11.035 1.00 43.15 C ATOM 221 CG ASN A 16 1.440 12.438 11.490 1.00 42.15 C ATOM 222 OD1 ASN A 16 1.659 13.425 12.192 1.00 12.03 O ATOM 223 ND2 ASN A 16 0.220 12.099 11.090 1.00 62.22 N ATOM 0 H ASN A 16 4.708 10.334 10.575 1.00 10.32 H new ATOM 0 HA ASN A 16 4.057 12.727 12.041 1.00 40.14 H new ATOM 0 HB2 ASN A 16 2.839 11.786 10.007 1.00 43.15 H new ATOM 0 HB3 ASN A 16 2.237 10.504 11.038 1.00 43.15 H new ATOM 0 HD21 ASN A 16 -0.582 12.666 11.364 1.00 62.22 H new ATOM 0 HD22 ASN A 16 0.085 11.272 10.508 1.00 62.22 H new ATOM 230 N LYS A 17 2.763 11.809 14.103 1.00 22.30 N ATOM 231 CA LYS A 17 2.416 11.358 15.445 1.00 14.14 C ATOM 232 C LYS A 17 1.996 9.892 15.435 1.00 31.35 C ATOM 233 O LYS A 17 2.711 9.028 15.941 1.00 21.22 O ATOM 234 CB LYS A 17 1.287 12.219 16.018 1.00 22.43 C ATOM 235 CG LYS A 17 1.499 13.710 15.820 1.00 75.43 C ATOM 236 CD LYS A 17 2.869 14.148 16.308 1.00 50.53 C ATOM 237 CE LYS A 17 2.957 14.117 17.826 1.00 74.51 C ATOM 238 NZ LYS A 17 3.506 15.386 18.377 1.00 44.25 N ATOM 0 H LYS A 17 2.368 12.714 13.847 1.00 22.30 H new ATOM 0 HA LYS A 17 3.299 11.460 16.075 1.00 14.14 H new ATOM 0 HB2 LYS A 17 0.347 11.929 15.550 1.00 22.43 H new ATOM 0 HB3 LYS A 17 1.189 12.013 17.084 1.00 22.43 H new ATOM 0 HG2 LYS A 17 1.392 13.956 14.764 1.00 75.43 H new ATOM 0 HG3 LYS A 17 0.727 14.262 16.356 1.00 75.43 H new ATOM 0 HD2 LYS A 17 3.633 13.495 15.885 1.00 50.53 H new ATOM 0 HD3 LYS A 17 3.078 15.156 15.951 1.00 50.53 H new ATOM 0 HE2 LYS A 17 1.966 13.939 18.243 1.00 74.51 H new ATOM 0 HE3 LYS A 17 3.588 13.284 18.136 1.00 74.51 H new ATOM 0 HZ1 LYS A 17 3.550 15.324 19.414 1.00 44.25 H new ATOM 0 HZ2 LYS A 17 4.462 15.544 17.999 1.00 44.25 H new ATOM 0 HZ3 LYS A 17 2.890 16.178 18.103 1.00 44.25 H new ATOM 252 N GLY A 18 0.832 9.618 14.855 1.00 74.34 N ATOM 253 CA GLY A 18 0.338 8.255 14.789 1.00 60.43 C ATOM 254 C GLY A 18 0.820 7.523 13.552 1.00 61.31 C ATOM 255 O GLY A 18 1.344 6.412 13.644 1.00 55.41 O ATOM 0 H GLY A 18 0.222 10.316 14.429 1.00 74.34 H new ATOM 0 HA2 GLY A 18 0.660 7.712 15.677 1.00 60.43 H new ATOM 0 HA3 GLY A 18 -0.752 8.266 14.799 1.00 60.43 H new ATOM 259 N SER A 19 0.642 8.145 12.391 1.00 62.11 N ATOM 260 CA SER A 19 1.058 7.543 11.129 1.00 21.05 C ATOM 261 C SER A 19 2.499 7.050 11.212 1.00 65.11 C ATOM 262 O SER A 19 3.341 7.667 11.864 1.00 51.22 O ATOM 263 CB SER A 19 0.917 8.551 9.988 1.00 54.43 C ATOM 264 OG SER A 19 0.289 7.963 8.862 1.00 32.50 O ATOM 0 H SER A 19 0.213 9.065 12.298 1.00 62.11 H new ATOM 0 HA SER A 19 0.411 6.689 10.931 1.00 21.05 H new ATOM 0 HB2 SER A 19 0.335 9.409 10.326 1.00 54.43 H new ATOM 0 HB3 SER A 19 1.901 8.925 9.705 1.00 54.43 H new ATOM 0 HG SER A 19 0.209 8.629 8.147 1.00 32.50 H new ATOM 270 N GLU A 20 2.775 5.933 10.546 1.00 63.02 N ATOM 271 CA GLU A 20 4.115 5.356 10.544 1.00 15.14 C ATOM 272 C GLU A 20 4.436 4.731 9.190 1.00 22.00 C ATOM 273 O GLU A 20 3.618 4.758 8.271 1.00 35.10 O ATOM 274 CB GLU A 20 4.242 4.303 11.647 1.00 14.35 C ATOM 275 CG GLU A 20 3.384 4.593 12.868 1.00 53.45 C ATOM 276 CD GLU A 20 3.412 3.467 13.882 1.00 60.31 C ATOM 277 OE1 GLU A 20 4.387 2.687 13.877 1.00 45.23 O ATOM 278 OE2 GLU A 20 2.458 3.365 14.681 1.00 31.05 O ATOM 0 H GLU A 20 2.089 5.410 10.001 1.00 63.02 H new ATOM 0 HA GLU A 20 4.829 6.158 10.733 1.00 15.14 H new ATOM 0 HB2 GLU A 20 3.965 3.330 11.242 1.00 14.35 H new ATOM 0 HB3 GLU A 20 5.286 4.235 11.955 1.00 14.35 H new ATOM 0 HG2 GLU A 20 3.731 5.512 13.341 1.00 53.45 H new ATOM 0 HG3 GLU A 20 2.355 4.766 12.552 1.00 53.45 H new ATOM 285 N VAL A 21 5.635 4.169 9.074 1.00 22.32 N ATOM 286 CA VAL A 21 6.066 3.536 7.833 1.00 3.22 C ATOM 287 C VAL A 21 6.868 2.270 8.112 1.00 73.44 C ATOM 288 O VAL A 21 7.736 2.250 8.985 1.00 53.54 O ATOM 289 CB VAL A 21 6.920 4.494 6.982 1.00 5.51 C ATOM 290 CG1 VAL A 21 6.161 4.922 5.735 1.00 4.44 C ATOM 291 CG2 VAL A 21 7.340 5.705 7.803 1.00 61.25 C ATOM 0 H VAL A 21 6.325 4.139 9.824 1.00 22.32 H new ATOM 0 HA VAL A 21 5.163 3.277 7.280 1.00 3.22 H new ATOM 0 HB VAL A 21 7.821 3.967 6.667 1.00 5.51 H new ATOM 0 HG11 VAL A 21 6.780 5.599 5.146 1.00 4.44 H new ATOM 0 HG12 VAL A 21 5.916 4.043 5.139 1.00 4.44 H new ATOM 0 HG13 VAL A 21 5.242 5.431 6.025 1.00 4.44 H new ATOM 0 HG21 VAL A 21 7.943 6.371 7.186 1.00 61.25 H new ATOM 0 HG22 VAL A 21 6.453 6.235 8.150 1.00 61.25 H new ATOM 0 HG23 VAL A 21 7.926 5.377 8.662 1.00 61.25 H new ATOM 301 N PHE A 22 6.571 1.212 7.363 1.00 5.13 N ATOM 302 CA PHE A 22 7.264 -0.060 7.529 1.00 23.34 C ATOM 303 C PHE A 22 7.608 -0.673 6.175 1.00 71.30 C ATOM 304 O PHE A 22 6.885 -0.487 5.196 1.00 62.13 O ATOM 305 CB PHE A 22 6.403 -1.032 8.338 1.00 32.41 C ATOM 306 CG PHE A 22 5.011 -1.194 7.796 1.00 3.42 C ATOM 307 CD1 PHE A 22 4.025 -0.269 8.098 1.00 14.12 C ATOM 308 CD2 PHE A 22 4.690 -2.270 6.985 1.00 32.13 C ATOM 309 CE1 PHE A 22 2.743 -0.414 7.601 1.00 61.01 C ATOM 310 CE2 PHE A 22 3.410 -2.420 6.485 1.00 63.22 C ATOM 311 CZ PHE A 22 2.435 -1.492 6.794 1.00 45.21 C ATOM 0 H PHE A 22 5.856 1.211 6.636 1.00 5.13 H new ATOM 0 HA PHE A 22 8.192 0.128 8.069 1.00 23.34 H new ATOM 0 HB2 PHE A 22 6.892 -2.006 8.360 1.00 32.41 H new ATOM 0 HB3 PHE A 22 6.345 -0.682 9.369 1.00 32.41 H new ATOM 0 HD1 PHE A 22 4.260 0.575 8.729 1.00 14.12 H new ATOM 0 HD2 PHE A 22 5.448 -3.000 6.741 1.00 32.13 H new ATOM 0 HE1 PHE A 22 1.983 0.315 7.843 1.00 61.01 H new ATOM 0 HE2 PHE A 22 3.172 -3.263 5.853 1.00 63.22 H new ATOM 0 HZ PHE A 22 1.434 -1.609 6.406 1.00 45.21 H new ATOM 321 N TYR A 23 8.716 -1.404 6.127 1.00 31.35 N ATOM 322 CA TYR A 23 9.158 -2.043 4.893 1.00 1.34 C ATOM 323 C TYR A 23 9.894 -3.346 5.188 1.00 65.03 C ATOM 324 O TYR A 23 10.295 -3.605 6.323 1.00 32.02 O ATOM 325 CB TYR A 23 10.066 -1.099 4.103 1.00 54.51 C ATOM 326 CG TYR A 23 9.521 0.307 3.986 1.00 44.34 C ATOM 327 CD1 TYR A 23 8.605 0.638 2.995 1.00 0.43 C ATOM 328 CD2 TYR A 23 9.923 1.304 4.866 1.00 2.32 C ATOM 329 CE1 TYR A 23 8.106 1.922 2.884 1.00 20.31 C ATOM 330 CE2 TYR A 23 9.428 2.590 4.763 1.00 3.04 C ATOM 331 CZ TYR A 23 8.520 2.894 3.771 1.00 64.15 C ATOM 332 OH TYR A 23 8.025 4.173 3.664 1.00 54.10 O ATOM 0 H TYR A 23 9.325 -1.569 6.929 1.00 31.35 H new ATOM 0 HA TYR A 23 8.276 -2.273 4.296 1.00 1.34 H new ATOM 0 HB2 TYR A 23 11.044 -1.062 4.583 1.00 54.51 H new ATOM 0 HB3 TYR A 23 10.217 -1.506 3.103 1.00 54.51 H new ATOM 0 HD1 TYR A 23 8.277 -0.121 2.300 1.00 0.43 H new ATOM 0 HD2 TYR A 23 10.635 1.070 5.644 1.00 2.32 H new ATOM 0 HE1 TYR A 23 7.396 2.163 2.107 1.00 20.31 H new ATOM 0 HE2 TYR A 23 9.751 3.353 5.456 1.00 3.04 H new ATOM 0 HH TYR A 23 7.119 4.143 3.293 1.00 54.10 H new ATOM 342 N THR A 24 10.071 -4.165 4.155 1.00 14.12 N ATOM 343 CA THR A 24 10.758 -5.442 4.301 1.00 52.20 C ATOM 344 C THR A 24 11.608 -5.752 3.074 1.00 14.00 C ATOM 345 O THR A 24 11.214 -5.461 1.944 1.00 2.12 O ATOM 346 CB THR A 24 9.761 -6.594 4.525 1.00 34.14 C ATOM 347 OG1 THR A 24 8.565 -6.360 3.773 1.00 33.43 O ATOM 348 CG2 THR A 24 9.419 -6.734 6.001 1.00 35.00 C ATOM 0 H THR A 24 9.748 -3.966 3.208 1.00 14.12 H new ATOM 0 HA THR A 24 11.404 -5.355 5.175 1.00 52.20 H new ATOM 0 HB THR A 24 10.227 -7.520 4.187 1.00 34.14 H new ATOM 0 HG1 THR A 24 7.815 -6.215 4.387 1.00 33.43 H new ATOM 0 HG21 THR A 24 8.713 -7.554 6.135 1.00 35.00 H new ATOM 0 HG22 THR A 24 10.327 -6.941 6.567 1.00 35.00 H new ATOM 0 HG23 THR A 24 8.971 -5.807 6.360 1.00 35.00 H new ATOM 356 N PHE A 25 12.775 -6.345 3.303 1.00 53.12 N ATOM 357 CA PHE A 25 13.681 -6.695 2.215 1.00 12.31 C ATOM 358 C PHE A 25 14.663 -7.778 2.652 1.00 14.11 C ATOM 359 O PHE A 25 14.893 -7.979 3.845 1.00 63.20 O ATOM 360 CB PHE A 25 14.446 -5.457 1.743 1.00 44.11 C ATOM 361 CG PHE A 25 14.428 -5.273 0.252 1.00 32.04 C ATOM 362 CD1 PHE A 25 15.244 -6.040 -0.564 1.00 13.41 C ATOM 363 CD2 PHE A 25 13.595 -4.333 -0.333 1.00 13.05 C ATOM 364 CE1 PHE A 25 15.229 -5.873 -1.936 1.00 32.20 C ATOM 365 CE2 PHE A 25 13.575 -4.162 -1.704 1.00 21.41 C ATOM 366 CZ PHE A 25 14.394 -4.933 -2.506 1.00 50.55 C ATOM 0 H PHE A 25 13.116 -6.593 4.232 1.00 53.12 H new ATOM 0 HA PHE A 25 13.085 -7.082 1.389 1.00 12.31 H new ATOM 0 HB2 PHE A 25 14.017 -4.573 2.215 1.00 44.11 H new ATOM 0 HB3 PHE A 25 15.480 -5.529 2.080 1.00 44.11 H new ATOM 0 HD1 PHE A 25 15.899 -6.777 -0.123 1.00 13.41 H new ATOM 0 HD2 PHE A 25 12.954 -3.727 0.290 1.00 13.05 H new ATOM 0 HE1 PHE A 25 15.870 -6.477 -2.561 1.00 32.20 H new ATOM 0 HE2 PHE A 25 12.920 -3.427 -2.148 1.00 21.41 H new ATOM 0 HZ PHE A 25 14.381 -4.801 -3.578 1.00 50.55 H new ATOM 376 N THR A 26 15.239 -8.474 1.677 1.00 34.52 N ATOM 377 CA THR A 26 16.194 -9.538 1.959 1.00 31.35 C ATOM 378 C THR A 26 17.491 -9.331 1.187 1.00 65.44 C ATOM 379 O THR A 26 17.574 -8.470 0.311 1.00 73.11 O ATOM 380 CB THR A 26 15.615 -10.921 1.607 1.00 32.51 C ATOM 381 OG1 THR A 26 15.602 -11.100 0.186 1.00 15.53 O ATOM 382 CG2 THR A 26 14.204 -11.073 2.155 1.00 30.15 C ATOM 0 H THR A 26 15.061 -8.320 0.685 1.00 34.52 H new ATOM 0 HA THR A 26 16.401 -9.501 3.028 1.00 31.35 H new ATOM 0 HB THR A 26 16.249 -11.682 2.063 1.00 32.51 H new ATOM 0 HG1 THR A 26 15.234 -11.982 -0.029 1.00 15.53 H new ATOM 0 HG21 THR A 26 13.816 -12.058 1.894 1.00 30.15 H new ATOM 0 HG22 THR A 26 14.221 -10.966 3.240 1.00 30.15 H new ATOM 0 HG23 THR A 26 13.562 -10.304 1.725 1.00 30.15 H new ATOM 390 N VAL A 27 18.504 -10.127 1.516 1.00 62.25 N ATOM 391 CA VAL A 27 19.798 -10.032 0.851 1.00 62.45 C ATOM 392 C VAL A 27 20.032 -11.225 -0.070 1.00 52.10 C ATOM 393 O VAL A 27 19.302 -12.215 -0.017 1.00 63.31 O ATOM 394 CB VAL A 27 20.949 -9.952 1.871 1.00 21.40 C ATOM 395 CG1 VAL A 27 20.809 -8.710 2.738 1.00 70.41 C ATOM 396 CG2 VAL A 27 20.989 -11.209 2.728 1.00 43.13 C ATOM 0 H VAL A 27 18.453 -10.845 2.239 1.00 62.25 H new ATOM 0 HA VAL A 27 19.783 -9.117 0.259 1.00 62.45 H new ATOM 0 HB VAL A 27 21.890 -9.881 1.326 1.00 21.40 H new ATOM 0 HG11 VAL A 27 21.631 -8.671 3.453 1.00 70.41 H new ATOM 0 HG12 VAL A 27 20.833 -7.821 2.107 1.00 70.41 H new ATOM 0 HG13 VAL A 27 19.862 -8.747 3.276 1.00 70.41 H new ATOM 0 HG21 VAL A 27 21.808 -11.136 3.443 1.00 43.13 H new ATOM 0 HG22 VAL A 27 20.046 -11.313 3.265 1.00 43.13 H new ATOM 0 HG23 VAL A 27 21.141 -12.080 2.090 1.00 43.13 H new ATOM 406 N ASP A 28 21.053 -11.123 -0.913 1.00 25.31 N ATOM 407 CA ASP A 28 21.385 -12.195 -1.845 1.00 41.41 C ATOM 408 C ASP A 28 22.643 -12.933 -1.399 1.00 45.33 C ATOM 409 O ASP A 28 22.703 -14.162 -1.445 1.00 1.43 O ATOM 410 CB ASP A 28 21.581 -11.631 -3.254 1.00 22.44 C ATOM 411 CG ASP A 28 20.319 -10.996 -3.804 1.00 63.51 C ATOM 412 OD1 ASP A 28 19.864 -9.987 -3.228 1.00 14.13 O ATOM 413 OD2 ASP A 28 19.787 -11.510 -4.811 1.00 10.42 O ATOM 0 H ASP A 28 21.665 -10.309 -0.971 1.00 25.31 H new ATOM 0 HA ASP A 28 20.556 -12.903 -1.857 1.00 41.41 H new ATOM 0 HB2 ASP A 28 22.380 -10.890 -3.238 1.00 22.44 H new ATOM 0 HB3 ASP A 28 21.902 -12.431 -3.921 1.00 22.44 H new ATOM 418 N ARG A 29 23.647 -12.175 -0.970 1.00 1.21 N ATOM 419 CA ARG A 29 24.905 -12.757 -0.518 1.00 41.12 C ATOM 420 C ARG A 29 25.377 -12.097 0.774 1.00 13.32 C ATOM 421 O ARG A 29 24.917 -11.014 1.133 1.00 51.41 O ATOM 422 CB ARG A 29 25.977 -12.609 -1.599 1.00 62.44 C ATOM 423 CG ARG A 29 26.683 -11.264 -1.577 1.00 45.32 C ATOM 424 CD ARG A 29 25.699 -10.115 -1.735 1.00 22.31 C ATOM 425 NE ARG A 29 26.288 -8.983 -2.444 1.00 45.22 N ATOM 426 CZ ARG A 29 26.477 -8.956 -3.759 1.00 32.51 C ATOM 427 NH1 ARG A 29 26.123 -9.995 -4.503 1.00 64.15 N ATOM 428 NH2 ARG A 29 27.019 -7.889 -4.331 1.00 61.34 N ATOM 0 H ARG A 29 23.614 -11.156 -0.926 1.00 1.21 H new ATOM 0 HA ARG A 29 24.737 -13.816 -0.324 1.00 41.12 H new ATOM 0 HB2 ARG A 29 26.717 -13.400 -1.476 1.00 62.44 H new ATOM 0 HB3 ARG A 29 25.517 -12.752 -2.577 1.00 62.44 H new ATOM 0 HG2 ARG A 29 27.226 -11.153 -0.639 1.00 45.32 H new ATOM 0 HG3 ARG A 29 27.420 -11.226 -2.379 1.00 45.32 H new ATOM 0 HD2 ARG A 29 24.819 -10.463 -2.276 1.00 22.31 H new ATOM 0 HD3 ARG A 29 25.360 -9.790 -0.751 1.00 22.31 H new ATOM 0 HE ARG A 29 26.570 -8.168 -1.900 1.00 45.22 H new ATOM 0 HH11 ARG A 29 25.705 -10.816 -4.066 1.00 64.15 H new ATOM 0 HH12 ARG A 29 26.269 -9.973 -5.512 1.00 64.15 H new ATOM 0 HH21 ARG A 29 27.291 -7.088 -3.761 1.00 61.34 H new ATOM 0 HH22 ARG A 29 27.164 -7.870 -5.341 1.00 61.34 H new ATOM 442 N ASN A 30 26.297 -12.758 1.469 1.00 35.21 N ATOM 443 CA ASN A 30 26.830 -12.236 2.722 1.00 34.12 C ATOM 444 C ASN A 30 27.883 -11.164 2.461 1.00 62.15 C ATOM 445 O ASN A 30 28.935 -11.441 1.885 1.00 50.32 O ATOM 446 CB ASN A 30 27.434 -13.369 3.555 1.00 40.34 C ATOM 447 CG ASN A 30 28.359 -12.857 4.642 1.00 65.05 C ATOM 448 OD1 ASN A 30 29.577 -13.023 4.565 1.00 51.14 O ATOM 449 ND2 ASN A 30 27.784 -12.231 5.662 1.00 63.22 N ATOM 0 H ASN A 30 26.689 -13.656 1.186 1.00 35.21 H new ATOM 0 HA ASN A 30 26.008 -11.784 3.277 1.00 34.12 H new ATOM 0 HB2 ASN A 30 26.631 -13.951 4.009 1.00 40.34 H new ATOM 0 HB3 ASN A 30 27.986 -14.044 2.900 1.00 40.34 H new ATOM 0 HD21 ASN A 30 28.356 -11.865 6.423 1.00 63.22 H new ATOM 0 HD22 ASN A 30 26.771 -12.116 5.684 1.00 63.22 H new ATOM 456 N ALA A 31 27.593 -9.940 2.888 1.00 14.13 N ATOM 457 CA ALA A 31 28.515 -8.827 2.703 1.00 44.10 C ATOM 458 C ALA A 31 28.497 -7.892 3.907 1.00 12.14 C ATOM 459 O ALA A 31 27.442 -7.629 4.487 1.00 43.23 O ATOM 460 CB ALA A 31 28.172 -8.062 1.433 1.00 33.13 C ATOM 0 H ALA A 31 26.726 -9.694 3.365 1.00 14.13 H new ATOM 0 HA ALA A 31 29.522 -9.234 2.608 1.00 44.10 H new ATOM 0 HB1 ALA A 31 28.869 -7.233 1.308 1.00 33.13 H new ATOM 0 HB2 ALA A 31 28.245 -8.730 0.575 1.00 33.13 H new ATOM 0 HB3 ALA A 31 27.156 -7.674 1.505 1.00 33.13 H new ATOM 466 N THR A 32 29.671 -7.392 4.281 1.00 33.13 N ATOM 467 CA THR A 32 29.789 -6.488 5.418 1.00 4.01 C ATOM 468 C THR A 32 29.816 -5.033 4.963 1.00 31.32 C ATOM 469 O THR A 32 30.809 -4.565 4.407 1.00 73.12 O ATOM 470 CB THR A 32 31.060 -6.781 6.238 1.00 12.35 C ATOM 471 OG1 THR A 32 31.356 -8.181 6.200 1.00 34.25 O ATOM 472 CG2 THR A 32 30.887 -6.333 7.682 1.00 50.31 C ATOM 0 H THR A 32 30.553 -7.598 3.813 1.00 33.13 H new ATOM 0 HA THR A 32 28.914 -6.653 6.046 1.00 4.01 H new ATOM 0 HB THR A 32 31.887 -6.224 5.797 1.00 12.35 H new ATOM 0 HG1 THR A 32 32.166 -8.358 6.722 1.00 34.25 H new ATOM 0 HG21 THR A 32 31.797 -6.550 8.242 1.00 50.31 H new ATOM 0 HG22 THR A 32 30.691 -5.261 7.709 1.00 50.31 H new ATOM 0 HG23 THR A 32 30.049 -6.867 8.131 1.00 50.31 H new ATOM 480 N ALA A 33 28.719 -4.323 5.204 1.00 51.30 N ATOM 481 CA ALA A 33 28.618 -2.920 4.821 1.00 1.12 C ATOM 482 C ALA A 33 27.992 -2.090 5.937 1.00 4.00 C ATOM 483 O ALA A 33 27.137 -2.573 6.679 1.00 21.31 O ATOM 484 CB ALA A 33 27.810 -2.779 3.540 1.00 61.34 C ATOM 0 H ALA A 33 27.888 -4.696 5.663 1.00 51.30 H new ATOM 0 HA ALA A 33 29.626 -2.544 4.645 1.00 1.12 H new ATOM 0 HB1 ALA A 33 27.743 -1.726 3.266 1.00 61.34 H new ATOM 0 HB2 ALA A 33 28.300 -3.332 2.738 1.00 61.34 H new ATOM 0 HB3 ALA A 33 26.808 -3.178 3.696 1.00 61.34 H new ATOM 490 N VAL A 34 28.425 -0.838 6.051 1.00 73.11 N ATOM 491 CA VAL A 34 27.906 0.059 7.076 1.00 4.44 C ATOM 492 C VAL A 34 27.065 1.171 6.460 1.00 72.14 C ATOM 493 O VAL A 34 27.586 2.053 5.777 1.00 72.23 O ATOM 494 CB VAL A 34 29.046 0.690 7.899 1.00 60.51 C ATOM 495 CG1 VAL A 34 30.081 1.322 6.981 1.00 53.13 C ATOM 496 CG2 VAL A 34 28.493 1.714 8.878 1.00 74.12 C ATOM 0 H VAL A 34 29.134 -0.423 5.446 1.00 73.11 H new ATOM 0 HA VAL A 34 27.281 -0.543 7.735 1.00 4.44 H new ATOM 0 HB VAL A 34 29.536 -0.098 8.471 1.00 60.51 H new ATOM 0 HG11 VAL A 34 30.878 1.762 7.580 1.00 53.13 H new ATOM 0 HG12 VAL A 34 30.500 0.559 6.325 1.00 53.13 H new ATOM 0 HG13 VAL A 34 29.608 2.098 6.379 1.00 53.13 H new ATOM 0 HG21 VAL A 34 29.312 2.149 9.451 1.00 74.12 H new ATOM 0 HG22 VAL A 34 27.976 2.501 8.328 1.00 74.12 H new ATOM 0 HG23 VAL A 34 27.794 1.227 9.558 1.00 74.12 H new ATOM 506 N VAL A 35 25.759 1.123 6.705 1.00 23.12 N ATOM 507 CA VAL A 35 24.844 2.127 6.175 1.00 23.14 C ATOM 508 C VAL A 35 23.969 2.710 7.279 1.00 23.03 C ATOM 509 O VAL A 35 23.511 1.991 8.167 1.00 3.25 O ATOM 510 CB VAL A 35 23.940 1.538 5.076 1.00 4.01 C ATOM 511 CG1 VAL A 35 23.035 2.614 4.496 1.00 61.12 C ATOM 512 CG2 VAL A 35 24.781 0.892 3.985 1.00 31.33 C ATOM 0 H VAL A 35 25.311 0.399 7.267 1.00 23.12 H new ATOM 0 HA VAL A 35 25.457 2.919 5.745 1.00 23.14 H new ATOM 0 HB VAL A 35 23.310 0.768 5.521 1.00 4.01 H new ATOM 0 HG11 VAL A 35 22.404 2.179 3.721 1.00 61.12 H new ATOM 0 HG12 VAL A 35 22.408 3.027 5.286 1.00 61.12 H new ATOM 0 HG13 VAL A 35 23.644 3.408 4.064 1.00 61.12 H new ATOM 0 HG21 VAL A 35 24.126 0.481 3.216 1.00 31.33 H new ATOM 0 HG22 VAL A 35 25.437 1.640 3.540 1.00 31.33 H new ATOM 0 HG23 VAL A 35 25.383 0.091 4.415 1.00 31.33 H new ATOM 522 N SER A 36 23.740 4.018 7.217 1.00 65.12 N ATOM 523 CA SER A 36 22.922 4.699 8.213 1.00 5.33 C ATOM 524 C SER A 36 21.870 5.578 7.544 1.00 71.54 C ATOM 525 O SER A 36 21.939 5.842 6.343 1.00 62.10 O ATOM 526 CB SER A 36 23.803 5.549 9.132 1.00 74.01 C ATOM 527 OG SER A 36 23.986 6.850 8.602 1.00 51.42 O ATOM 0 H SER A 36 24.110 4.627 6.487 1.00 65.12 H new ATOM 0 HA SER A 36 22.412 3.941 8.808 1.00 5.33 H new ATOM 0 HB2 SER A 36 23.346 5.616 10.119 1.00 74.01 H new ATOM 0 HB3 SER A 36 24.772 5.066 9.261 1.00 74.01 H new ATOM 0 HG SER A 36 24.551 7.374 9.208 1.00 51.42 H new ATOM 533 N ILE A 37 20.896 6.026 8.329 1.00 43.12 N ATOM 534 CA ILE A 37 19.830 6.875 7.813 1.00 13.10 C ATOM 535 C ILE A 37 19.918 8.282 8.394 1.00 15.23 C ATOM 536 O ILE A 37 20.422 8.478 9.500 1.00 31.20 O ATOM 537 CB ILE A 37 18.441 6.288 8.127 1.00 20.20 C ATOM 538 CG1 ILE A 37 17.837 6.977 9.352 1.00 31.03 C ATOM 539 CG2 ILE A 37 18.539 4.786 8.352 1.00 45.42 C ATOM 540 CD1 ILE A 37 18.540 6.633 10.647 1.00 52.12 C ATOM 0 H ILE A 37 20.823 5.815 9.324 1.00 43.12 H new ATOM 0 HA ILE A 37 19.960 6.922 6.732 1.00 13.10 H new ATOM 0 HB ILE A 37 17.786 6.466 7.274 1.00 20.20 H new ATOM 0 HG12 ILE A 37 17.871 8.057 9.205 1.00 31.03 H new ATOM 0 HG13 ILE A 37 16.786 6.699 9.434 1.00 31.03 H new ATOM 0 HG21 ILE A 37 17.549 4.386 8.573 1.00 45.42 H new ATOM 0 HG22 ILE A 37 18.931 4.308 7.454 1.00 45.42 H new ATOM 0 HG23 ILE A 37 19.206 4.586 9.190 1.00 45.42 H new ATOM 0 HD11 ILE A 37 18.058 7.157 11.473 1.00 52.12 H new ATOM 0 HD12 ILE A 37 18.483 5.558 10.817 1.00 52.12 H new ATOM 0 HD13 ILE A 37 19.585 6.936 10.585 1.00 52.12 H new ATOM 552 N SER A 38 19.421 9.259 7.642 1.00 4.31 N ATOM 553 CA SER A 38 19.445 10.650 8.082 1.00 63.54 C ATOM 554 C SER A 38 18.858 11.567 7.013 1.00 2.13 C ATOM 555 O SER A 38 18.488 11.119 5.929 1.00 24.10 O ATOM 556 CB SER A 38 20.877 11.079 8.408 1.00 60.21 C ATOM 557 OG SER A 38 21.384 11.957 7.418 1.00 3.13 O ATOM 0 H SER A 38 18.997 9.114 6.726 1.00 4.31 H new ATOM 0 HA SER A 38 18.835 10.732 8.982 1.00 63.54 H new ATOM 0 HB2 SER A 38 20.900 11.570 9.381 1.00 60.21 H new ATOM 0 HB3 SER A 38 21.516 10.199 8.480 1.00 60.21 H new ATOM 0 HG SER A 38 22.300 12.218 7.650 1.00 3.13 H new ATOM 563 N GLY A 39 18.776 12.856 7.329 1.00 0.12 N ATOM 564 CA GLY A 39 18.233 13.818 6.387 1.00 22.54 C ATOM 565 C GLY A 39 17.817 15.113 7.056 1.00 20.30 C ATOM 566 O GLY A 39 17.746 16.158 6.411 1.00 74.43 O ATOM 0 H GLY A 39 19.076 13.251 8.220 1.00 0.12 H new ATOM 0 HA2 GLY A 39 18.978 14.032 5.620 1.00 22.54 H new ATOM 0 HA3 GLY A 39 17.372 13.381 5.882 1.00 22.54 H new ATOM 595 N ASP A 43 13.424 12.227 14.419 1.00 41.20 N ATOM 596 CA ASP A 43 11.981 12.133 14.231 1.00 20.22 C ATOM 597 C ASP A 43 11.581 10.728 13.789 1.00 2.52 C ATOM 598 O ASP A 43 10.545 10.209 14.201 1.00 15.12 O ATOM 599 CB ASP A 43 11.511 13.159 13.199 1.00 64.12 C ATOM 600 CG ASP A 43 11.872 12.760 11.781 1.00 13.42 C ATOM 601 OD1 ASP A 43 12.982 13.112 11.330 1.00 52.25 O ATOM 602 OD2 ASP A 43 11.044 12.096 11.124 1.00 50.05 O ATOM 0 HA ASP A 43 11.501 12.345 15.186 1.00 20.22 H new ATOM 0 HB2 ASP A 43 10.430 13.279 13.276 1.00 64.12 H new ATOM 0 HB3 ASP A 43 11.956 14.128 13.425 1.00 64.12 H new ATOM 607 N ALA A 44 12.410 10.120 12.947 1.00 4.14 N ATOM 608 CA ALA A 44 12.144 8.776 12.450 1.00 11.13 C ATOM 609 C ALA A 44 12.997 7.743 13.177 1.00 25.53 C ATOM 610 O ALA A 44 14.222 7.862 13.232 1.00 74.04 O ATOM 611 CB ALA A 44 12.393 8.709 10.951 1.00 63.12 C ATOM 0 H ALA A 44 13.272 10.537 12.595 1.00 4.14 H new ATOM 0 HA ALA A 44 11.097 8.544 12.644 1.00 11.13 H new ATOM 0 HB1 ALA A 44 12.190 7.699 10.593 1.00 63.12 H new ATOM 0 HB2 ALA A 44 11.736 9.413 10.441 1.00 63.12 H new ATOM 0 HB3 ALA A 44 13.432 8.966 10.743 1.00 63.12 H new ATOM 617 N ASP A 45 12.344 6.729 13.735 1.00 41.30 N ATOM 618 CA ASP A 45 13.044 5.674 14.459 1.00 54.22 C ATOM 619 C ASP A 45 13.450 4.546 13.516 1.00 34.42 C ATOM 620 O ASP A 45 12.795 4.305 12.501 1.00 64.24 O ATOM 621 CB ASP A 45 12.162 5.125 15.581 1.00 13.44 C ATOM 622 CG ASP A 45 11.915 6.146 16.675 1.00 23.45 C ATOM 623 OD1 ASP A 45 11.928 7.356 16.371 1.00 55.33 O ATOM 624 OD2 ASP A 45 11.711 5.733 17.837 1.00 42.23 O ATOM 0 H ASP A 45 11.331 6.615 13.700 1.00 41.30 H new ATOM 0 HA ASP A 45 13.947 6.103 14.894 1.00 54.22 H new ATOM 0 HB2 ASP A 45 11.207 4.804 15.165 1.00 13.44 H new ATOM 0 HB3 ASP A 45 12.634 4.242 16.012 1.00 13.44 H new ATOM 629 N LEU A 46 14.533 3.857 13.858 1.00 1.20 N ATOM 630 CA LEU A 46 15.028 2.754 13.042 1.00 73.12 C ATOM 631 C LEU A 46 14.953 1.436 13.805 1.00 31.52 C ATOM 632 O LEU A 46 15.447 1.328 14.928 1.00 61.43 O ATOM 633 CB LEU A 46 16.469 3.023 12.605 1.00 20.45 C ATOM 634 CG LEU A 46 17.079 2.005 11.641 1.00 22.11 C ATOM 635 CD1 LEU A 46 18.069 2.682 10.706 1.00 1.32 C ATOM 636 CD2 LEU A 46 17.754 0.879 12.411 1.00 43.12 C ATOM 0 H LEU A 46 15.085 4.043 14.695 1.00 1.20 H new ATOM 0 HA LEU A 46 14.396 2.677 12.158 1.00 73.12 H new ATOM 0 HB2 LEU A 46 16.508 4.006 12.136 1.00 20.45 H new ATOM 0 HB3 LEU A 46 17.095 3.070 13.496 1.00 20.45 H new ATOM 0 HG LEU A 46 16.277 1.577 11.040 1.00 22.11 H new ATOM 0 HD11 LEU A 46 18.493 1.942 10.027 1.00 1.32 H new ATOM 0 HD12 LEU A 46 17.557 3.452 10.129 1.00 1.32 H new ATOM 0 HD13 LEU A 46 18.868 3.138 11.290 1.00 1.32 H new ATOM 0 HD21 LEU A 46 18.182 0.164 11.709 1.00 43.12 H new ATOM 0 HD22 LEU A 46 18.545 1.290 13.038 1.00 43.12 H new ATOM 0 HD23 LEU A 46 17.019 0.375 13.038 1.00 43.12 H new ATOM 648 N TYR A 47 14.334 0.435 13.188 1.00 11.23 N ATOM 649 CA TYR A 47 14.194 -0.876 13.810 1.00 63.43 C ATOM 650 C TYR A 47 14.442 -1.989 12.796 1.00 43.15 C ATOM 651 O TYR A 47 14.068 -1.876 11.628 1.00 50.55 O ATOM 652 CB TYR A 47 12.800 -1.029 14.420 1.00 60.10 C ATOM 653 CG TYR A 47 12.474 0.023 15.456 1.00 51.24 C ATOM 654 CD1 TYR A 47 13.181 0.094 16.649 1.00 2.33 C ATOM 655 CD2 TYR A 47 11.459 0.947 15.240 1.00 53.13 C ATOM 656 CE1 TYR A 47 12.886 1.054 17.598 1.00 31.55 C ATOM 657 CE2 TYR A 47 11.157 1.911 16.183 1.00 65.23 C ATOM 658 CZ TYR A 47 11.873 1.960 17.361 1.00 65.44 C ATOM 659 OH TYR A 47 11.577 2.918 18.303 1.00 63.50 O ATOM 0 H TYR A 47 13.921 0.507 12.258 1.00 11.23 H new ATOM 0 HA TYR A 47 14.940 -0.956 14.601 1.00 63.43 H new ATOM 0 HB2 TYR A 47 12.057 -0.985 13.624 1.00 60.10 H new ATOM 0 HB3 TYR A 47 12.719 -2.015 14.878 1.00 60.10 H new ATOM 0 HD1 TYR A 47 13.975 -0.613 16.838 1.00 2.33 H new ATOM 0 HD2 TYR A 47 10.896 0.911 14.319 1.00 53.13 H new ATOM 0 HE1 TYR A 47 13.446 1.095 18.521 1.00 31.55 H new ATOM 0 HE2 TYR A 47 10.365 2.622 15.999 1.00 65.23 H new ATOM 0 HH TYR A 47 11.696 3.809 17.912 1.00 63.50 H new ATOM 669 N LEU A 48 15.076 -3.064 13.250 1.00 35.44 N ATOM 670 CA LEU A 48 15.374 -4.200 12.384 1.00 1.24 C ATOM 671 C LEU A 48 15.378 -5.503 13.177 1.00 33.11 C ATOM 672 O LEU A 48 15.932 -5.574 14.274 1.00 2.10 O ATOM 673 CB LEU A 48 16.728 -4.002 11.700 1.00 73.21 C ATOM 674 CG LEU A 48 16.843 -4.541 10.273 1.00 4.34 C ATOM 675 CD1 LEU A 48 18.191 -4.174 9.672 1.00 2.21 C ATOM 676 CD2 LEU A 48 16.642 -6.049 10.255 1.00 52.13 C ATOM 0 H LEU A 48 15.394 -3.173 14.213 1.00 35.44 H new ATOM 0 HA LEU A 48 14.595 -4.261 11.624 1.00 1.24 H new ATOM 0 HB2 LEU A 48 16.952 -2.935 11.684 1.00 73.21 H new ATOM 0 HB3 LEU A 48 17.495 -4.479 12.310 1.00 73.21 H new ATOM 0 HG LEU A 48 16.061 -4.083 9.667 1.00 4.34 H new ATOM 0 HD11 LEU A 48 18.255 -4.565 8.657 1.00 2.21 H new ATOM 0 HD12 LEU A 48 18.296 -3.089 9.650 1.00 2.21 H new ATOM 0 HD13 LEU A 48 18.989 -4.604 10.278 1.00 2.21 H new ATOM 0 HD21 LEU A 48 16.727 -6.415 9.232 1.00 52.13 H new ATOM 0 HD22 LEU A 48 17.402 -6.525 10.875 1.00 52.13 H new ATOM 0 HD23 LEU A 48 15.653 -6.289 10.645 1.00 52.13 H new ATOM 688 N LYS A 49 14.757 -6.534 12.614 1.00 50.14 N ATOM 689 CA LYS A 49 14.691 -7.837 13.265 1.00 52.23 C ATOM 690 C LYS A 49 14.788 -8.963 12.240 1.00 3.42 C ATOM 691 O LYS A 49 14.185 -8.895 11.170 1.00 13.50 O ATOM 692 CB LYS A 49 13.389 -7.967 14.059 1.00 23.32 C ATOM 693 CG LYS A 49 13.602 -8.307 15.524 1.00 25.22 C ATOM 694 CD LYS A 49 12.389 -9.003 16.117 1.00 30.14 C ATOM 695 CE LYS A 49 12.600 -9.335 17.587 1.00 54.32 C ATOM 696 NZ LYS A 49 13.461 -10.536 17.766 1.00 2.14 N ATOM 0 H LYS A 49 14.292 -6.492 11.707 1.00 50.14 H new ATOM 0 HA LYS A 49 15.536 -7.918 13.948 1.00 52.23 H new ATOM 0 HB2 LYS A 49 12.835 -7.031 13.989 1.00 23.32 H new ATOM 0 HB3 LYS A 49 12.770 -8.739 13.602 1.00 23.32 H new ATOM 0 HG2 LYS A 49 14.477 -8.949 15.626 1.00 25.22 H new ATOM 0 HG3 LYS A 49 13.809 -7.395 16.084 1.00 25.22 H new ATOM 0 HD2 LYS A 49 11.513 -8.364 16.009 1.00 30.14 H new ATOM 0 HD3 LYS A 49 12.186 -9.919 15.562 1.00 30.14 H new ATOM 0 HE2 LYS A 49 13.057 -8.483 18.090 1.00 54.32 H new ATOM 0 HE3 LYS A 49 11.634 -9.506 18.063 1.00 54.32 H new ATOM 0 HZ1 LYS A 49 13.581 -10.729 18.781 1.00 2.14 H new ATOM 0 HZ2 LYS A 49 13.013 -11.355 17.308 1.00 2.14 H new ATOM 0 HZ3 LYS A 49 14.391 -10.364 17.334 1.00 2.14 H new ATOM 710 N ALA A 50 15.551 -9.998 12.576 1.00 10.12 N ATOM 711 CA ALA A 50 15.724 -11.140 11.687 1.00 41.31 C ATOM 712 C ALA A 50 14.576 -12.132 11.837 1.00 10.14 C ATOM 713 O ALA A 50 14.543 -12.920 12.782 1.00 44.15 O ATOM 714 CB ALA A 50 17.055 -11.824 11.960 1.00 62.30 C ATOM 0 H ALA A 50 16.059 -10.069 13.458 1.00 10.12 H new ATOM 0 HA ALA A 50 15.720 -10.774 10.660 1.00 41.31 H new ATOM 0 HB1 ALA A 50 17.171 -12.675 11.289 1.00 62.30 H new ATOM 0 HB2 ALA A 50 17.868 -11.117 11.794 1.00 62.30 H new ATOM 0 HB3 ALA A 50 17.081 -12.170 12.993 1.00 62.30 H new ATOM 720 N GLY A 51 13.634 -12.087 10.900 1.00 40.11 N ATOM 721 CA GLY A 51 12.496 -12.987 10.948 1.00 44.43 C ATOM 722 C GLY A 51 11.186 -12.254 11.157 1.00 40.23 C ATOM 723 O GLY A 51 10.548 -11.822 10.196 1.00 23.43 O ATOM 0 H GLY A 51 13.638 -11.444 10.109 1.00 40.11 H new ATOM 0 HA2 GLY A 51 12.447 -13.555 10.019 1.00 44.43 H new ATOM 0 HA3 GLY A 51 12.639 -13.706 11.754 1.00 44.43 H new ATOM 727 N SER A 52 10.782 -12.114 12.415 1.00 2.03 N ATOM 728 CA SER A 52 9.536 -11.433 12.747 1.00 21.21 C ATOM 729 C SER A 52 9.761 -9.932 12.897 1.00 12.43 C ATOM 730 O SER A 52 10.682 -9.495 13.587 1.00 24.44 O ATOM 731 CB SER A 52 8.947 -12.004 14.038 1.00 14.24 C ATOM 732 OG SER A 52 9.830 -11.813 15.130 1.00 70.40 O ATOM 0 H SER A 52 11.299 -12.463 13.222 1.00 2.03 H new ATOM 0 HA SER A 52 8.832 -11.597 11.931 1.00 21.21 H new ATOM 0 HB2 SER A 52 7.992 -11.523 14.250 1.00 14.24 H new ATOM 0 HB3 SER A 52 8.746 -13.068 13.910 1.00 14.24 H new ATOM 0 HG SER A 52 10.451 -11.083 14.925 1.00 70.40 H new ATOM 738 N LYS A 53 8.911 -9.145 12.246 1.00 42.32 N ATOM 739 CA LYS A 53 9.014 -7.691 12.306 1.00 32.40 C ATOM 740 C LYS A 53 9.230 -7.220 13.741 1.00 60.25 C ATOM 741 O LYS A 53 8.568 -7.673 14.675 1.00 51.04 O ATOM 742 CB LYS A 53 7.751 -7.046 11.731 1.00 71.21 C ATOM 743 CG LYS A 53 6.563 -7.087 12.676 1.00 75.31 C ATOM 744 CD LYS A 53 6.433 -5.795 13.465 1.00 32.32 C ATOM 745 CE LYS A 53 5.504 -4.810 12.773 1.00 73.12 C ATOM 746 NZ LYS A 53 4.118 -4.879 13.315 1.00 45.00 N ATOM 0 H LYS A 53 8.143 -9.490 11.670 1.00 42.32 H new ATOM 0 HA LYS A 53 9.874 -7.387 11.709 1.00 32.40 H new ATOM 0 HB2 LYS A 53 7.967 -6.008 11.477 1.00 71.21 H new ATOM 0 HB3 LYS A 53 7.484 -7.553 10.803 1.00 71.21 H new ATOM 0 HG2 LYS A 53 5.650 -7.260 12.107 1.00 75.31 H new ATOM 0 HG3 LYS A 53 6.673 -7.925 13.364 1.00 75.31 H new ATOM 0 HD2 LYS A 53 6.054 -6.014 14.463 1.00 32.32 H new ATOM 0 HD3 LYS A 53 7.417 -5.343 13.589 1.00 32.32 H new ATOM 0 HE2 LYS A 53 5.892 -3.799 12.895 1.00 73.12 H new ATOM 0 HE3 LYS A 53 5.486 -5.018 11.703 1.00 73.12 H new ATOM 0 HZ1 LYS A 53 3.516 -4.192 12.817 1.00 45.00 H new ATOM 0 HZ2 LYS A 53 3.738 -5.837 13.176 1.00 45.00 H new ATOM 0 HZ3 LYS A 53 4.131 -4.656 14.331 1.00 45.00 H new ATOM 760 N PRO A 54 10.177 -6.288 13.922 1.00 65.32 N ATOM 761 CA PRO A 54 10.501 -5.734 15.240 1.00 70.12 C ATOM 762 C PRO A 54 9.387 -4.848 15.785 1.00 14.23 C ATOM 763 O PRO A 54 8.728 -4.127 15.035 1.00 74.43 O ATOM 764 CB PRO A 54 11.762 -4.907 14.977 1.00 31.01 C ATOM 765 CG PRO A 54 11.685 -4.547 13.534 1.00 53.44 C ATOM 766 CD PRO A 54 11.006 -5.703 12.854 1.00 74.32 C ATOM 0 HA PRO A 54 10.636 -6.515 15.989 1.00 70.12 H new ATOM 0 HB2 PRO A 54 11.790 -4.017 15.606 1.00 31.01 H new ATOM 0 HB3 PRO A 54 12.664 -5.480 15.195 1.00 31.01 H new ATOM 0 HG2 PRO A 54 11.122 -3.625 13.391 1.00 53.44 H new ATOM 0 HG3 PRO A 54 12.679 -4.380 13.120 1.00 53.44 H new ATOM 0 HD2 PRO A 54 10.400 -5.373 12.010 1.00 74.32 H new ATOM 0 HD3 PRO A 54 11.728 -6.422 12.466 1.00 74.32 H new ATOM 774 N THR A 55 9.180 -4.904 17.098 1.00 62.45 N ATOM 775 CA THR A 55 8.145 -4.107 17.744 1.00 61.45 C ATOM 776 C THR A 55 8.737 -2.865 18.399 1.00 32.03 C ATOM 777 O THR A 55 9.951 -2.661 18.385 1.00 42.42 O ATOM 778 CB THR A 55 7.389 -4.925 18.808 1.00 52.13 C ATOM 779 OG1 THR A 55 8.019 -4.770 20.084 1.00 43.10 O ATOM 780 CG2 THR A 55 7.350 -6.398 18.431 1.00 33.33 C ATOM 0 H THR A 55 9.716 -5.494 17.734 1.00 62.45 H new ATOM 0 HA THR A 55 7.446 -3.805 16.965 1.00 61.45 H new ATOM 0 HB THR A 55 6.366 -4.553 18.861 1.00 52.13 H new ATOM 0 HG1 THR A 55 7.531 -5.292 20.755 1.00 43.10 H new ATOM 0 HG21 THR A 55 6.811 -6.956 19.197 1.00 33.33 H new ATOM 0 HG22 THR A 55 6.843 -6.515 17.473 1.00 33.33 H new ATOM 0 HG23 THR A 55 8.368 -6.780 18.352 1.00 33.33 H new ATOM 788 N THR A 56 7.871 -2.036 18.976 1.00 64.45 N ATOM 789 CA THR A 56 8.309 -0.813 19.637 1.00 75.34 C ATOM 790 C THR A 56 9.195 -1.124 20.837 1.00 0.12 C ATOM 791 O THR A 56 9.895 -0.249 21.347 1.00 14.12 O ATOM 792 CB THR A 56 7.109 0.032 20.104 1.00 52.42 C ATOM 793 OG1 THR A 56 6.103 -0.815 20.670 1.00 72.13 O ATOM 794 CG2 THR A 56 6.520 0.823 18.945 1.00 21.01 C ATOM 0 H THR A 56 6.863 -2.190 18.998 1.00 64.45 H new ATOM 0 HA THR A 56 8.882 -0.244 18.904 1.00 75.34 H new ATOM 0 HB THR A 56 7.460 0.733 20.861 1.00 52.42 H new ATOM 0 HG1 THR A 56 5.345 -0.269 20.966 1.00 72.13 H new ATOM 0 HG21 THR A 56 5.674 1.412 19.299 1.00 21.01 H new ATOM 0 HG22 THR A 56 7.280 1.489 18.536 1.00 21.01 H new ATOM 0 HG23 THR A 56 6.184 0.135 18.169 1.00 21.01 H new ATOM 802 N SER A 57 9.161 -2.375 21.284 1.00 64.42 N ATOM 803 CA SER A 57 9.960 -2.801 22.427 1.00 2.32 C ATOM 804 C SER A 57 10.930 -3.910 22.030 1.00 11.42 C ATOM 805 O SER A 57 11.973 -4.091 22.658 1.00 63.04 O ATOM 806 CB SER A 57 9.052 -3.283 23.560 1.00 73.34 C ATOM 807 OG SER A 57 8.427 -2.192 24.212 1.00 13.14 O ATOM 0 H SER A 57 8.588 -3.112 20.872 1.00 64.42 H new ATOM 0 HA SER A 57 10.538 -1.944 22.774 1.00 2.32 H new ATOM 0 HB2 SER A 57 8.293 -3.955 23.161 1.00 73.34 H new ATOM 0 HB3 SER A 57 9.637 -3.855 24.281 1.00 73.34 H new ATOM 0 HG SER A 57 7.851 -2.527 24.931 1.00 13.14 H new ATOM 813 N SER A 58 10.577 -4.649 20.983 1.00 10.05 N ATOM 814 CA SER A 58 11.413 -5.743 20.504 1.00 60.13 C ATOM 815 C SER A 58 12.197 -5.324 19.264 1.00 64.20 C ATOM 816 O SER A 58 11.620 -4.874 18.274 1.00 5.33 O ATOM 817 CB SER A 58 10.554 -6.969 20.188 1.00 52.25 C ATOM 818 OG SER A 58 10.941 -8.080 20.976 1.00 22.53 O ATOM 0 H SER A 58 9.718 -4.510 20.451 1.00 10.05 H new ATOM 0 HA SER A 58 12.122 -5.998 21.292 1.00 60.13 H new ATOM 0 HB2 SER A 58 9.504 -6.738 20.370 1.00 52.25 H new ATOM 0 HB3 SER A 58 10.647 -7.219 19.131 1.00 52.25 H new ATOM 0 HG SER A 58 10.376 -8.850 20.756 1.00 22.53 H new ATOM 824 N TRP A 59 13.515 -5.476 19.326 1.00 22.35 N ATOM 825 CA TRP A 59 14.380 -5.114 18.209 1.00 10.12 C ATOM 826 C TRP A 59 15.648 -5.961 18.205 1.00 12.22 C ATOM 827 O TRP A 59 16.087 -6.442 19.250 1.00 72.43 O ATOM 828 CB TRP A 59 14.743 -3.630 18.279 1.00 4.24 C ATOM 829 CG TRP A 59 14.523 -3.028 19.634 1.00 13.41 C ATOM 830 CD1 TRP A 59 13.347 -2.549 20.136 1.00 15.24 C ATOM 831 CD2 TRP A 59 15.505 -2.839 20.658 1.00 3.51 C ATOM 832 NE1 TRP A 59 13.539 -2.073 21.411 1.00 33.42 N ATOM 833 CE2 TRP A 59 14.854 -2.240 21.755 1.00 61.42 C ATOM 834 CE3 TRP A 59 16.871 -3.118 20.756 1.00 11.04 C ATOM 835 CZ2 TRP A 59 15.524 -1.917 22.932 1.00 72.12 C ATOM 836 CZ3 TRP A 59 17.534 -2.796 21.925 1.00 22.22 C ATOM 837 CH2 TRP A 59 16.861 -2.202 23.001 1.00 54.35 C ATOM 0 H TRP A 59 14.008 -5.847 20.138 1.00 22.35 H new ATOM 0 HA TRP A 59 13.836 -5.305 17.284 1.00 10.12 H new ATOM 0 HB2 TRP A 59 15.789 -3.506 18.000 1.00 4.24 H new ATOM 0 HB3 TRP A 59 14.150 -3.083 17.546 1.00 4.24 H new ATOM 0 HD1 TRP A 59 12.404 -2.545 19.609 1.00 15.24 H new ATOM 0 HE1 TRP A 59 12.819 -1.662 22.005 1.00 33.42 H new ATOM 0 HE3 TRP A 59 17.399 -3.577 19.933 1.00 11.04 H new ATOM 0 HZ2 TRP A 59 15.007 -1.458 23.761 1.00 72.12 H new ATOM 0 HZ3 TRP A 59 18.590 -3.006 22.011 1.00 22.22 H new ATOM 0 HH2 TRP A 59 17.408 -1.965 23.902 1.00 54.35 H new ATOM 848 N ASP A 60 16.232 -6.138 17.025 1.00 34.43 N ATOM 849 CA ASP A 60 17.451 -6.927 16.886 1.00 14.33 C ATOM 850 C ASP A 60 18.647 -6.029 16.587 1.00 2.14 C ATOM 851 O ASP A 60 19.782 -6.351 16.943 1.00 74.01 O ATOM 852 CB ASP A 60 17.287 -7.966 15.776 1.00 24.35 C ATOM 853 CG ASP A 60 18.425 -8.968 15.750 1.00 60.04 C ATOM 854 OD1 ASP A 60 19.556 -8.573 15.396 1.00 51.31 O ATOM 855 OD2 ASP A 60 18.185 -10.147 16.083 1.00 32.00 O ATOM 0 H ASP A 60 15.881 -5.746 16.151 1.00 34.43 H new ATOM 0 HA ASP A 60 17.632 -7.441 17.830 1.00 14.33 H new ATOM 0 HB2 ASP A 60 16.344 -8.495 15.913 1.00 24.35 H new ATOM 0 HB3 ASP A 60 17.231 -7.459 14.813 1.00 24.35 H new ATOM 860 N CYS A 61 18.386 -4.903 15.932 1.00 65.41 N ATOM 861 CA CYS A 61 19.442 -3.960 15.583 1.00 5.52 C ATOM 862 C CYS A 61 19.005 -2.526 15.864 1.00 54.22 C ATOM 863 O CYS A 61 17.979 -2.069 15.358 1.00 45.13 O ATOM 864 CB CYS A 61 19.824 -4.110 14.110 1.00 75.13 C ATOM 865 SG CYS A 61 20.364 -5.774 13.653 1.00 31.24 S ATOM 0 H CYS A 61 17.453 -4.621 15.632 1.00 65.41 H new ATOM 0 HA CYS A 61 20.312 -4.183 16.200 1.00 5.52 H new ATOM 0 HB2 CYS A 61 18.968 -3.836 13.494 1.00 75.13 H new ATOM 0 HB3 CYS A 61 20.622 -3.404 13.879 1.00 75.13 H new ATOM 0 HG CYS A 61 20.664 -5.801 12.388 1.00 31.24 H new ATOM 871 N ARG A 62 19.787 -1.822 16.675 1.00 43.52 N ATOM 872 CA ARG A 62 19.479 -0.440 17.025 1.00 32.43 C ATOM 873 C ARG A 62 20.596 0.170 17.867 1.00 61.45 C ATOM 874 O ARG A 62 21.075 -0.425 18.833 1.00 55.03 O ATOM 875 CB ARG A 62 18.155 -0.369 17.788 1.00 74.10 C ATOM 876 CG ARG A 62 17.570 1.032 17.863 1.00 31.13 C ATOM 877 CD ARG A 62 16.162 1.018 18.439 1.00 64.11 C ATOM 878 NE ARG A 62 15.984 2.033 19.474 1.00 60.04 N ATOM 879 CZ ARG A 62 16.348 1.864 20.740 1.00 64.33 C ATOM 880 NH1 ARG A 62 16.908 0.725 21.125 1.00 4.54 N ATOM 881 NH2 ARG A 62 16.153 2.834 21.623 1.00 2.50 N ATOM 0 H ARG A 62 20.639 -2.185 17.102 1.00 43.52 H new ATOM 0 HA ARG A 62 19.390 0.132 16.101 1.00 32.43 H new ATOM 0 HB2 ARG A 62 17.433 -1.030 17.308 1.00 74.10 H new ATOM 0 HB3 ARG A 62 18.308 -0.745 18.800 1.00 74.10 H new ATOM 0 HG2 ARG A 62 18.210 1.662 18.480 1.00 31.13 H new ATOM 0 HG3 ARG A 62 17.552 1.474 16.867 1.00 31.13 H new ATOM 0 HD2 ARG A 62 15.441 1.186 17.639 1.00 64.11 H new ATOM 0 HD3 ARG A 62 15.951 0.034 18.857 1.00 64.11 H new ATOM 0 HE ARG A 62 15.557 2.921 19.210 1.00 60.04 H new ATOM 0 HH11 ARG A 62 17.060 -0.023 20.448 1.00 4.54 H new ATOM 0 HH12 ARG A 62 17.187 0.597 22.098 1.00 4.54 H new ATOM 0 HH21 ARG A 62 15.723 3.711 21.330 1.00 2.50 H new ATOM 0 HH22 ARG A 62 16.433 2.703 22.595 1.00 2.50 H new ATOM 895 N PRO A 63 21.023 1.385 17.492 1.00 63.41 N ATOM 896 CA PRO A 63 22.089 2.102 18.198 1.00 30.34 C ATOM 897 C PRO A 63 21.652 2.574 19.581 1.00 62.20 C ATOM 898 O PRO A 63 22.435 3.172 20.319 1.00 21.03 O ATOM 899 CB PRO A 63 22.373 3.300 17.289 1.00 23.13 C ATOM 900 CG PRO A 63 21.105 3.515 16.539 1.00 54.43 C ATOM 901 CD PRO A 63 20.498 2.152 16.350 1.00 4.32 C ATOM 0 HA PRO A 63 22.958 1.469 18.375 1.00 30.34 H new ATOM 0 HB2 PRO A 63 22.644 4.182 17.869 1.00 23.13 H new ATOM 0 HB3 PRO A 63 23.203 3.096 16.613 1.00 23.13 H new ATOM 0 HG2 PRO A 63 20.431 4.169 17.092 1.00 54.43 H new ATOM 0 HG3 PRO A 63 21.296 3.993 15.578 1.00 54.43 H new ATOM 0 HD2 PRO A 63 19.409 2.192 16.359 1.00 4.32 H new ATOM 0 HD3 PRO A 63 20.793 1.709 15.399 1.00 4.32 H new ATOM 982 N ASN A 68 16.230 10.069 13.597 1.00 64.15 N ATOM 983 CA ASN A 68 17.138 9.677 12.524 1.00 4.45 C ATOM 984 C ASN A 68 18.572 9.578 13.035 1.00 25.25 C ATOM 985 O ASN A 68 18.829 9.733 14.228 1.00 1.15 O ATOM 986 CB ASN A 68 17.064 10.682 11.373 1.00 61.13 C ATOM 987 CG ASN A 68 17.977 11.874 11.586 1.00 55.33 C ATOM 988 OD1 ASN A 68 18.718 12.271 10.686 1.00 14.45 O ATOM 989 ND2 ASN A 68 17.926 12.451 12.781 1.00 44.43 N ATOM 0 HA ASN A 68 16.831 8.696 12.162 1.00 4.45 H new ATOM 0 HB2 ASN A 68 17.333 10.184 10.442 1.00 61.13 H new ATOM 0 HB3 ASN A 68 16.037 11.030 11.263 1.00 61.13 H new ATOM 0 HD21 ASN A 68 18.516 13.258 12.983 1.00 44.43 H new ATOM 0 HD22 ASN A 68 17.296 12.087 13.496 1.00 44.43 H new ATOM 996 N ASN A 69 19.503 9.318 12.123 1.00 43.21 N ATOM 997 CA ASN A 69 20.912 9.198 12.481 1.00 70.11 C ATOM 998 C ASN A 69 21.137 8.012 13.414 1.00 13.34 C ATOM 999 O ASN A 69 22.180 7.907 14.059 1.00 73.43 O ATOM 1000 CB ASN A 69 21.402 10.485 13.146 1.00 3.43 C ATOM 1001 CG ASN A 69 22.884 10.722 12.926 1.00 21.24 C ATOM 1002 OD1 ASN A 69 23.411 10.464 11.844 1.00 22.22 O ATOM 1003 ND2 ASN A 69 23.563 11.215 13.955 1.00 4.03 N ATOM 0 H ASN A 69 19.307 9.186 11.131 1.00 43.21 H new ATOM 0 HA ASN A 69 21.481 9.031 11.566 1.00 70.11 H new ATOM 0 HB2 ASN A 69 20.839 11.331 12.752 1.00 3.43 H new ATOM 0 HB3 ASN A 69 21.199 10.438 14.216 1.00 3.43 H new ATOM 0 HD21 ASN A 69 24.563 11.395 13.867 1.00 4.03 H new ATOM 0 HD22 ASN A 69 23.084 11.414 14.834 1.00 4.03 H new ATOM 1010 N GLU A 70 20.151 7.123 13.481 1.00 72.03 N ATOM 1011 CA GLU A 70 20.242 5.945 14.336 1.00 55.24 C ATOM 1012 C GLU A 70 20.127 4.665 13.513 1.00 52.35 C ATOM 1013 O GLU A 70 19.026 4.210 13.204 1.00 33.40 O ATOM 1014 CB GLU A 70 19.147 5.977 15.404 1.00 54.41 C ATOM 1015 CG GLU A 70 19.345 7.065 16.446 1.00 52.30 C ATOM 1016 CD GLU A 70 20.784 7.172 16.912 1.00 72.41 C ATOM 1017 OE1 GLU A 70 21.270 6.222 17.561 1.00 74.11 O ATOM 1018 OE2 GLU A 70 21.424 8.205 16.627 1.00 42.31 O ATOM 0 H GLU A 70 19.281 7.196 12.954 1.00 72.03 H new ATOM 0 HA GLU A 70 21.217 5.957 14.824 1.00 55.24 H new ATOM 0 HB2 GLU A 70 18.182 6.122 14.919 1.00 54.41 H new ATOM 0 HB3 GLU A 70 19.110 5.009 15.904 1.00 54.41 H new ATOM 0 HG2 GLU A 70 19.029 8.022 16.031 1.00 52.30 H new ATOM 0 HG3 GLU A 70 18.703 6.863 17.304 1.00 52.30 H new ATOM 1025 N SER A 71 21.272 4.091 13.160 1.00 64.12 N ATOM 1026 CA SER A 71 21.302 2.866 12.369 1.00 54.22 C ATOM 1027 C SER A 71 22.299 1.868 12.950 1.00 75.03 C ATOM 1028 O SER A 71 23.074 2.199 13.847 1.00 10.43 O ATOM 1029 CB SER A 71 21.665 3.181 10.916 1.00 21.43 C ATOM 1030 OG SER A 71 21.063 4.391 10.491 1.00 62.24 O ATOM 0 H SER A 71 22.192 4.454 13.409 1.00 64.12 H new ATOM 0 HA SER A 71 20.308 2.419 12.399 1.00 54.22 H new ATOM 0 HB2 SER A 71 22.748 3.255 10.816 1.00 21.43 H new ATOM 0 HB3 SER A 71 21.341 2.364 10.272 1.00 21.43 H new ATOM 0 HG SER A 71 21.466 5.144 10.972 1.00 62.24 H new ATOM 1036 N CYS A 72 22.272 0.645 12.431 1.00 14.34 N ATOM 1037 CA CYS A 72 23.172 -0.403 12.898 1.00 30.14 C ATOM 1038 C CYS A 72 24.048 -0.915 11.759 1.00 13.23 C ATOM 1039 O CYS A 72 23.666 -0.848 10.591 1.00 52.30 O ATOM 1040 CB CYS A 72 22.373 -1.559 13.502 1.00 11.23 C ATOM 1041 SG CYS A 72 23.065 -2.210 15.041 1.00 73.14 S ATOM 0 H CYS A 72 21.637 0.355 11.687 1.00 14.34 H new ATOM 0 HA CYS A 72 23.818 0.023 13.666 1.00 30.14 H new ATOM 0 HB2 CYS A 72 21.353 -1.223 13.688 1.00 11.23 H new ATOM 0 HB3 CYS A 72 22.315 -2.367 12.772 1.00 11.23 H new ATOM 0 HG CYS A 72 22.319 -3.182 15.475 1.00 73.14 H new ATOM 1047 N SER A 73 25.225 -1.425 12.108 1.00 53.42 N ATOM 1048 CA SER A 73 26.158 -1.943 11.114 1.00 13.31 C ATOM 1049 C SER A 73 26.627 -3.345 11.489 1.00 72.33 C ATOM 1050 O SER A 73 27.396 -3.524 12.433 1.00 45.41 O ATOM 1051 CB SER A 73 27.362 -1.009 10.979 1.00 61.04 C ATOM 1052 OG SER A 73 27.830 -0.592 12.250 1.00 74.13 O ATOM 0 H SER A 73 25.555 -1.491 13.071 1.00 53.42 H new ATOM 0 HA SER A 73 25.639 -1.996 10.157 1.00 13.31 H new ATOM 0 HB2 SER A 73 28.163 -1.518 10.442 1.00 61.04 H new ATOM 0 HB3 SER A 73 27.085 -0.137 10.386 1.00 61.04 H new ATOM 0 HG SER A 73 27.886 -1.366 12.848 1.00 74.13 H new ATOM 1058 N VAL A 74 26.157 -4.339 10.741 1.00 31.02 N ATOM 1059 CA VAL A 74 26.528 -5.726 10.993 1.00 61.42 C ATOM 1060 C VAL A 74 26.508 -6.543 9.705 1.00 2.33 C ATOM 1061 O VAL A 74 25.736 -6.259 8.790 1.00 13.20 O ATOM 1062 CB VAL A 74 25.585 -6.383 12.018 1.00 13.33 C ATOM 1063 CG1 VAL A 74 26.051 -7.793 12.347 1.00 52.21 C ATOM 1064 CG2 VAL A 74 25.495 -5.535 13.278 1.00 3.31 C ATOM 0 H VAL A 74 25.519 -4.209 9.956 1.00 31.02 H new ATOM 0 HA VAL A 74 27.540 -5.714 11.397 1.00 61.42 H new ATOM 0 HB VAL A 74 24.589 -6.449 11.579 1.00 13.33 H new ATOM 0 HG11 VAL A 74 25.372 -8.241 13.073 1.00 52.21 H new ATOM 0 HG12 VAL A 74 26.059 -8.395 11.438 1.00 52.21 H new ATOM 0 HG13 VAL A 74 27.057 -7.755 12.766 1.00 52.21 H new ATOM 0 HG21 VAL A 74 24.825 -6.014 13.992 1.00 3.31 H new ATOM 0 HG22 VAL A 74 26.486 -5.436 13.721 1.00 3.31 H new ATOM 0 HG23 VAL A 74 25.110 -4.547 13.025 1.00 3.31 H new ATOM 1074 N SER A 75 27.363 -7.559 9.642 1.00 10.30 N ATOM 1075 CA SER A 75 27.446 -8.415 8.465 1.00 63.21 C ATOM 1076 C SER A 75 26.268 -9.383 8.412 1.00 14.53 C ATOM 1077 O SER A 75 26.241 -10.385 9.125 1.00 23.40 O ATOM 1078 CB SER A 75 28.762 -9.196 8.468 1.00 32.35 C ATOM 1079 OG SER A 75 28.901 -9.956 9.657 1.00 52.42 O ATOM 0 H SER A 75 28.008 -7.809 10.392 1.00 10.30 H new ATOM 0 HA SER A 75 27.411 -7.779 7.581 1.00 63.21 H new ATOM 0 HB2 SER A 75 28.798 -9.858 7.603 1.00 32.35 H new ATOM 0 HB3 SER A 75 29.599 -8.504 8.375 1.00 32.35 H new ATOM 0 HG SER A 75 28.033 -10.338 9.905 1.00 52.42 H new ATOM 1085 N ALA A 76 25.294 -9.073 7.563 1.00 72.05 N ATOM 1086 CA ALA A 76 24.113 -9.915 7.414 1.00 0.34 C ATOM 1087 C ALA A 76 24.386 -11.082 6.472 1.00 33.32 C ATOM 1088 O ALA A 76 25.112 -10.942 5.489 1.00 41.11 O ATOM 1089 CB ALA A 76 22.937 -9.091 6.910 1.00 4.34 C ATOM 0 H ALA A 76 25.299 -8.245 6.968 1.00 72.05 H new ATOM 0 HA ALA A 76 23.863 -10.324 8.393 1.00 0.34 H new ATOM 0 HB1 ALA A 76 22.062 -9.733 6.803 1.00 4.34 H new ATOM 0 HB2 ALA A 76 22.719 -8.295 7.622 1.00 4.34 H new ATOM 0 HB3 ALA A 76 23.187 -8.654 5.943 1.00 4.34 H new ATOM 1095 N ALA A 77 23.799 -12.234 6.780 1.00 61.40 N ATOM 1096 CA ALA A 77 23.978 -13.426 5.960 1.00 42.14 C ATOM 1097 C ALA A 77 22.700 -13.768 5.202 1.00 51.22 C ATOM 1098 O ALA A 77 21.589 -13.612 5.708 1.00 14.15 O ATOM 1099 CB ALA A 77 24.412 -14.601 6.823 1.00 4.12 C ATOM 0 H ALA A 77 23.195 -12.367 7.591 1.00 61.40 H new ATOM 0 HA ALA A 77 24.759 -13.219 5.229 1.00 42.14 H new ATOM 0 HB1 ALA A 77 24.542 -15.484 6.197 1.00 4.12 H new ATOM 0 HB2 ALA A 77 25.355 -14.363 7.314 1.00 4.12 H new ATOM 0 HB3 ALA A 77 23.650 -14.800 7.577 1.00 4.12 H new ATOM 1105 N PRO A 78 22.858 -14.245 3.958 1.00 12.22 N ATOM 1106 CA PRO A 78 21.727 -14.618 3.104 1.00 34.40 C ATOM 1107 C PRO A 78 21.015 -15.873 3.600 1.00 43.31 C ATOM 1108 O PRO A 78 21.653 -16.818 4.062 1.00 13.24 O ATOM 1109 CB PRO A 78 22.379 -14.876 1.744 1.00 64.43 C ATOM 1110 CG PRO A 78 23.787 -15.244 2.063 1.00 63.23 C ATOM 1111 CD PRO A 78 24.153 -14.457 3.290 1.00 0.53 C ATOM 0 HA PRO A 78 20.959 -13.845 3.084 1.00 34.40 H new ATOM 0 HB2 PRO A 78 21.872 -15.678 1.208 1.00 64.43 H new ATOM 0 HB3 PRO A 78 22.335 -13.991 1.110 1.00 64.43 H new ATOM 0 HG2 PRO A 78 23.879 -16.315 2.245 1.00 63.23 H new ATOM 0 HG3 PRO A 78 24.451 -15.003 1.233 1.00 63.23 H new ATOM 0 HD2 PRO A 78 24.848 -15.005 3.926 1.00 0.53 H new ATOM 0 HD3 PRO A 78 24.632 -13.512 3.033 1.00 0.53 H new ATOM 1119 N GLY A 79 19.689 -15.874 3.500 1.00 63.41 N ATOM 1120 CA GLY A 79 18.914 -17.018 3.942 1.00 35.41 C ATOM 1121 C GLY A 79 17.853 -16.642 4.958 1.00 62.12 C ATOM 1122 O GLY A 79 16.959 -17.434 5.256 1.00 33.33 O ATOM 0 H GLY A 79 19.138 -15.103 3.121 1.00 63.41 H new ATOM 0 HA2 GLY A 79 18.438 -17.485 3.080 1.00 35.41 H new ATOM 0 HA3 GLY A 79 19.583 -17.760 4.378 1.00 35.41 H new ATOM 1126 N THR A 80 17.952 -15.429 5.493 1.00 23.21 N ATOM 1127 CA THR A 80 16.996 -14.950 6.483 1.00 23.24 C ATOM 1128 C THR A 80 16.374 -13.627 6.052 1.00 73.42 C ATOM 1129 O THR A 80 17.079 -12.691 5.675 1.00 54.43 O ATOM 1130 CB THR A 80 17.659 -14.767 7.862 1.00 63.04 C ATOM 1131 OG1 THR A 80 18.375 -15.954 8.223 1.00 50.44 O ATOM 1132 CG2 THR A 80 16.618 -14.453 8.925 1.00 23.15 C ATOM 0 H THR A 80 18.685 -14.760 5.257 1.00 23.21 H new ATOM 0 HA THR A 80 16.216 -15.707 6.560 1.00 23.24 H new ATOM 0 HB THR A 80 18.354 -13.930 7.798 1.00 63.04 H new ATOM 0 HG1 THR A 80 18.795 -15.829 9.100 1.00 50.44 H new ATOM 0 HG21 THR A 80 17.109 -14.328 9.890 1.00 23.15 H new ATOM 0 HG22 THR A 80 16.095 -13.533 8.662 1.00 23.15 H new ATOM 0 HG23 THR A 80 15.902 -15.272 8.986 1.00 23.15 H new ATOM 1140 N THR A 81 15.047 -13.556 6.110 1.00 44.03 N ATOM 1141 CA THR A 81 14.330 -12.348 5.724 1.00 15.43 C ATOM 1142 C THR A 81 14.497 -11.252 6.770 1.00 14.45 C ATOM 1143 O THR A 81 14.433 -11.512 7.972 1.00 31.12 O ATOM 1144 CB THR A 81 12.828 -12.626 5.524 1.00 32.03 C ATOM 1145 OG1 THR A 81 12.647 -13.876 4.849 1.00 51.43 O ATOM 1146 CG2 THR A 81 12.173 -11.511 4.723 1.00 32.10 C ATOM 0 H THR A 81 14.448 -14.321 6.421 1.00 44.03 H new ATOM 0 HA THR A 81 14.759 -12.014 4.779 1.00 15.43 H new ATOM 0 HB THR A 81 12.356 -12.672 6.505 1.00 32.03 H new ATOM 0 HG1 THR A 81 11.690 -14.046 4.727 1.00 51.43 H new ATOM 0 HG21 THR A 81 11.113 -11.730 4.595 1.00 32.10 H new ATOM 0 HG22 THR A 81 12.287 -10.566 5.254 1.00 32.10 H new ATOM 0 HG23 THR A 81 12.649 -11.437 3.745 1.00 32.10 H new ATOM 1154 N TYR A 82 14.710 -10.025 6.307 1.00 71.33 N ATOM 1155 CA TYR A 82 14.888 -8.889 7.203 1.00 32.32 C ATOM 1156 C TYR A 82 13.675 -7.964 7.158 1.00 64.41 C ATOM 1157 O TYR A 82 13.152 -7.659 6.086 1.00 61.33 O ATOM 1158 CB TYR A 82 16.151 -8.111 6.830 1.00 31.42 C ATOM 1159 CG TYR A 82 17.432 -8.844 7.159 1.00 43.24 C ATOM 1160 CD1 TYR A 82 17.760 -9.157 8.472 1.00 72.01 C ATOM 1161 CD2 TYR A 82 18.315 -9.224 6.155 1.00 41.51 C ATOM 1162 CE1 TYR A 82 18.930 -9.825 8.776 1.00 32.43 C ATOM 1163 CE2 TYR A 82 19.487 -9.893 6.450 1.00 73.51 C ATOM 1164 CZ TYR A 82 19.790 -10.192 7.762 1.00 12.41 C ATOM 1165 OH TYR A 82 20.956 -10.859 8.061 1.00 14.21 O ATOM 0 H TYR A 82 14.764 -9.792 5.315 1.00 71.33 H new ATOM 0 HA TYR A 82 14.992 -9.272 8.218 1.00 32.32 H new ATOM 0 HB2 TYR A 82 16.131 -7.892 5.762 1.00 31.42 H new ATOM 0 HB3 TYR A 82 16.146 -7.154 7.351 1.00 31.42 H new ATOM 0 HD1 TYR A 82 17.089 -8.873 9.269 1.00 72.01 H new ATOM 0 HD2 TYR A 82 18.081 -8.992 5.127 1.00 41.51 H new ATOM 0 HE1 TYR A 82 19.170 -10.059 9.803 1.00 32.43 H new ATOM 0 HE2 TYR A 82 20.162 -10.180 5.658 1.00 73.51 H new ATOM 0 HH TYR A 82 21.033 -11.654 7.493 1.00 14.21 H new ATOM 1175 N HIS A 83 13.234 -7.520 8.330 1.00 31.35 N ATOM 1176 CA HIS A 83 12.084 -6.629 8.426 1.00 14.44 C ATOM 1177 C HIS A 83 12.522 -5.214 8.793 1.00 51.14 C ATOM 1178 O HIS A 83 13.621 -5.007 9.308 1.00 71.15 O ATOM 1179 CB HIS A 83 11.091 -7.152 9.465 1.00 72.35 C ATOM 1180 CG HIS A 83 10.166 -8.203 8.932 1.00 33.01 C ATOM 1181 ND1 HIS A 83 8.812 -7.999 8.763 1.00 5.05 N ATOM 1182 CD2 HIS A 83 10.407 -9.472 8.528 1.00 74.21 C ATOM 1183 CE1 HIS A 83 8.261 -9.098 8.280 1.00 14.34 C ATOM 1184 NE2 HIS A 83 9.207 -10.007 8.128 1.00 54.22 N ATOM 0 H HIS A 83 13.656 -7.763 9.227 1.00 31.35 H new ATOM 0 HA HIS A 83 11.597 -6.599 7.451 1.00 14.44 H new ATOM 0 HB2 HIS A 83 11.644 -7.561 10.311 1.00 72.35 H new ATOM 0 HB3 HIS A 83 10.500 -6.318 9.844 1.00 72.35 H new ATOM 0 HD2 HIS A 83 11.365 -9.971 8.521 1.00 74.21 H new ATOM 0 HE1 HIS A 83 7.214 -9.231 8.049 1.00 14.34 H new ATOM 0 HE2 HIS A 83 9.069 -10.953 7.771 1.00 54.22 H new ATOM 1192 N VAL A 84 11.655 -4.242 8.523 1.00 65.51 N ATOM 1193 CA VAL A 84 11.953 -2.847 8.824 1.00 31.33 C ATOM 1194 C VAL A 84 10.738 -2.142 9.416 1.00 52.33 C ATOM 1195 O VAL A 84 9.611 -2.337 8.960 1.00 4.01 O ATOM 1196 CB VAL A 84 12.412 -2.087 7.566 1.00 4.00 C ATOM 1197 CG1 VAL A 84 13.172 -0.827 7.951 1.00 1.32 C ATOM 1198 CG2 VAL A 84 13.266 -2.985 6.683 1.00 32.03 C ATOM 0 H VAL A 84 10.741 -4.396 8.097 1.00 65.51 H new ATOM 0 HA VAL A 84 12.762 -2.846 9.555 1.00 31.33 H new ATOM 0 HB VAL A 84 11.529 -1.791 6.999 1.00 4.00 H new ATOM 0 HG11 VAL A 84 13.488 -0.303 7.049 1.00 1.32 H new ATOM 0 HG12 VAL A 84 12.525 -0.177 8.540 1.00 1.32 H new ATOM 0 HG13 VAL A 84 14.048 -1.097 8.540 1.00 1.32 H new ATOM 0 HG21 VAL A 84 13.582 -2.432 5.799 1.00 32.03 H new ATOM 0 HG22 VAL A 84 14.145 -3.313 7.239 1.00 32.03 H new ATOM 0 HG23 VAL A 84 12.684 -3.855 6.378 1.00 32.03 H new ATOM 1208 N MET A 85 10.975 -1.320 10.433 1.00 34.22 N ATOM 1209 CA MET A 85 9.899 -0.583 11.086 1.00 32.54 C ATOM 1210 C MET A 85 10.337 0.840 11.416 1.00 53.13 C ATOM 1211 O MET A 85 11.351 1.049 12.082 1.00 32.33 O ATOM 1212 CB MET A 85 9.461 -1.303 12.364 1.00 62.25 C ATOM 1213 CG MET A 85 7.975 -1.174 12.655 1.00 71.11 C ATOM 1214 SD MET A 85 7.638 -0.754 14.376 1.00 63.12 S ATOM 1215 CE MET A 85 7.081 0.940 14.208 1.00 32.20 C ATOM 0 H MET A 85 11.902 -1.147 10.823 1.00 34.22 H new ATOM 0 HA MET A 85 9.056 -0.534 10.397 1.00 32.54 H new ATOM 0 HB2 MET A 85 9.716 -2.359 12.282 1.00 62.25 H new ATOM 0 HB3 MET A 85 10.024 -0.904 13.207 1.00 62.25 H new ATOM 0 HG2 MET A 85 7.547 -0.408 12.008 1.00 71.11 H new ATOM 0 HG3 MET A 85 7.478 -2.113 12.410 1.00 71.11 H new ATOM 0 HE1 MET A 85 6.750 1.312 15.178 1.00 32.20 H new ATOM 0 HE2 MET A 85 7.901 1.558 13.843 1.00 32.20 H new ATOM 0 HE3 MET A 85 6.252 0.982 13.501 1.00 32.20 H new ATOM 1225 N ILE A 86 9.567 1.815 10.944 1.00 11.13 N ATOM 1226 CA ILE A 86 9.876 3.218 11.190 1.00 51.21 C ATOM 1227 C ILE A 86 8.804 3.874 12.053 1.00 12.32 C ATOM 1228 O ILE A 86 7.610 3.763 11.772 1.00 22.44 O ATOM 1229 CB ILE A 86 10.010 4.004 9.872 1.00 1.22 C ATOM 1230 CG1 ILE A 86 10.923 3.257 8.898 1.00 73.32 C ATOM 1231 CG2 ILE A 86 10.546 5.402 10.142 1.00 52.43 C ATOM 1232 CD1 ILE A 86 12.359 3.167 9.364 1.00 61.55 C ATOM 0 H ILE A 86 8.725 1.659 10.389 1.00 11.13 H new ATOM 0 HA ILE A 86 10.829 3.243 11.718 1.00 51.21 H new ATOM 0 HB ILE A 86 9.023 4.095 9.418 1.00 1.22 H new ATOM 0 HG12 ILE A 86 10.534 2.250 8.748 1.00 73.32 H new ATOM 0 HG13 ILE A 86 10.894 3.757 7.930 1.00 73.32 H new ATOM 0 HG21 ILE A 86 10.635 5.945 9.201 1.00 52.43 H new ATOM 0 HG22 ILE A 86 9.862 5.933 10.804 1.00 52.43 H new ATOM 0 HG23 ILE A 86 11.526 5.331 10.614 1.00 52.43 H new ATOM 0 HD11 ILE A 86 12.948 2.625 8.625 1.00 61.55 H new ATOM 0 HD12 ILE A 86 12.765 4.171 9.486 1.00 61.55 H new ATOM 0 HD13 ILE A 86 12.400 2.640 10.317 1.00 61.55 H new ATOM 1244 N LYS A 87 9.237 4.561 13.105 1.00 42.01 N ATOM 1245 CA LYS A 87 8.316 5.239 14.009 1.00 10.01 C ATOM 1246 C LYS A 87 8.450 6.754 13.887 1.00 33.40 C ATOM 1247 O LYS A 87 9.524 7.269 13.582 1.00 24.04 O ATOM 1248 CB LYS A 87 8.577 4.808 15.454 1.00 4.11 C ATOM 1249 CG LYS A 87 7.393 5.029 16.379 1.00 52.24 C ATOM 1250 CD LYS A 87 6.233 4.113 16.028 1.00 72.44 C ATOM 1251 CE LYS A 87 4.894 4.808 16.222 1.00 2.12 C ATOM 1252 NZ LYS A 87 4.826 5.526 17.525 1.00 23.22 N ATOM 0 H LYS A 87 10.221 4.663 13.352 1.00 42.01 H new ATOM 0 HA LYS A 87 7.300 4.958 13.730 1.00 10.01 H new ATOM 0 HB2 LYS A 87 8.844 3.751 15.466 1.00 4.11 H new ATOM 0 HB3 LYS A 87 9.435 5.358 15.839 1.00 4.11 H new ATOM 0 HG2 LYS A 87 7.698 4.852 17.410 1.00 52.24 H new ATOM 0 HG3 LYS A 87 7.070 6.068 16.316 1.00 52.24 H new ATOM 0 HD2 LYS A 87 6.327 3.786 14.993 1.00 72.44 H new ATOM 0 HD3 LYS A 87 6.273 3.219 16.650 1.00 72.44 H new ATOM 0 HE2 LYS A 87 4.730 5.515 15.409 1.00 2.12 H new ATOM 0 HE3 LYS A 87 4.092 4.072 16.171 1.00 2.12 H new ATOM 0 HZ1 LYS A 87 3.833 5.618 17.819 1.00 23.22 H new ATOM 0 HZ2 LYS A 87 5.352 4.990 18.244 1.00 23.22 H new ATOM 0 HZ3 LYS A 87 5.245 6.472 17.422 1.00 23.22 H new ATOM 1266 N GLY A 88 7.350 7.462 14.128 1.00 25.24 N ATOM 1267 CA GLY A 88 7.367 8.910 14.042 1.00 44.34 C ATOM 1268 C GLY A 88 6.944 9.574 15.337 1.00 34.30 C ATOM 1269 O GLY A 88 6.180 9.001 16.115 1.00 53.43 O ATOM 0 H GLY A 88 6.448 7.058 14.381 1.00 25.24 H new ATOM 0 HA2 GLY A 88 8.371 9.243 13.778 1.00 44.34 H new ATOM 0 HA3 GLY A 88 6.703 9.231 13.239 1.00 44.34 H new ATOM 1273 N TYR A 89 7.441 10.783 15.571 1.00 62.13 N ATOM 1274 CA TYR A 89 7.113 11.523 16.783 1.00 12.32 C ATOM 1275 C TYR A 89 6.443 12.852 16.446 1.00 72.32 C ATOM 1276 O TYR A 89 5.802 13.470 17.295 1.00 11.15 O ATOM 1277 CB TYR A 89 8.374 11.772 17.612 1.00 64.53 C ATOM 1278 CG TYR A 89 8.126 11.786 19.103 1.00 1.42 C ATOM 1279 CD1 TYR A 89 7.590 12.906 19.727 1.00 2.02 C ATOM 1280 CD2 TYR A 89 8.427 10.680 19.888 1.00 32.02 C ATOM 1281 CE1 TYR A 89 7.363 12.924 21.090 1.00 54.15 C ATOM 1282 CE2 TYR A 89 8.201 10.689 21.251 1.00 21.41 C ATOM 1283 CZ TYR A 89 7.669 11.813 21.847 1.00 4.11 C ATOM 1284 OH TYR A 89 7.443 11.827 23.204 1.00 32.34 O ATOM 0 H TYR A 89 8.073 11.272 14.937 1.00 62.13 H new ATOM 0 HA TYR A 89 6.415 10.922 17.366 1.00 12.32 H new ATOM 0 HB2 TYR A 89 9.108 11.000 17.382 1.00 64.53 H new ATOM 0 HB3 TYR A 89 8.811 12.726 17.316 1.00 64.53 H new ATOM 0 HD1 TYR A 89 7.347 13.777 19.137 1.00 2.02 H new ATOM 0 HD2 TYR A 89 8.845 9.798 19.425 1.00 32.02 H new ATOM 0 HE1 TYR A 89 6.948 13.804 21.560 1.00 54.15 H new ATOM 0 HE2 TYR A 89 8.440 9.820 21.847 1.00 21.41 H new ATOM 0 HH TYR A 89 7.711 10.967 23.589 1.00 32.34 H new ATOM 1294 N SER A 90 6.596 13.284 15.198 1.00 11.12 N ATOM 1295 CA SER A 90 6.009 14.541 14.747 1.00 22.42 C ATOM 1296 C SER A 90 6.225 14.734 13.249 1.00 2.34 C ATOM 1297 O SER A 90 7.315 14.494 12.732 1.00 23.14 O ATOM 1298 CB SER A 90 6.614 15.716 15.518 1.00 60.15 C ATOM 1299 OG SER A 90 6.939 16.784 14.645 1.00 3.11 O ATOM 0 H SER A 90 7.121 12.783 14.482 1.00 11.12 H new ATOM 0 HA SER A 90 4.937 14.504 14.940 1.00 22.42 H new ATOM 0 HB2 SER A 90 5.908 16.061 16.274 1.00 60.15 H new ATOM 0 HB3 SER A 90 7.510 15.387 16.045 1.00 60.15 H new ATOM 0 HG SER A 90 7.322 17.523 15.161 1.00 3.11 H new ATOM 1305 N ASN A 91 5.177 15.171 12.558 1.00 22.14 N ATOM 1306 CA ASN A 91 5.251 15.397 11.119 1.00 32.15 C ATOM 1307 C ASN A 91 6.629 15.915 10.720 1.00 62.20 C ATOM 1308 O ASN A 91 6.946 17.087 10.923 1.00 3.12 O ATOM 1309 CB ASN A 91 4.174 16.392 10.683 1.00 74.23 C ATOM 1310 CG ASN A 91 4.348 16.838 9.244 1.00 71.02 C ATOM 1311 OD1 ASN A 91 4.712 17.983 8.977 1.00 10.42 O ATOM 1312 ND2 ASN A 91 4.088 15.932 8.308 1.00 13.41 N ATOM 0 H ASN A 91 4.267 15.376 12.971 1.00 22.14 H new ATOM 0 HA ASN A 91 5.081 14.444 10.617 1.00 32.15 H new ATOM 0 HB2 ASN A 91 3.191 15.936 10.803 1.00 74.23 H new ATOM 0 HB3 ASN A 91 4.202 17.264 11.337 1.00 74.23 H new ATOM 0 HD21 ASN A 91 4.188 16.174 7.322 1.00 13.41 H new ATOM 0 HD22 ASN A 91 3.789 14.994 8.575 1.00 13.41 H new ATOM 1319 N TYR A 92 7.444 15.034 10.151 1.00 72.45 N ATOM 1320 CA TYR A 92 8.789 15.401 9.724 1.00 71.31 C ATOM 1321 C TYR A 92 9.278 14.478 8.612 1.00 43.35 C ATOM 1322 O TYR A 92 9.722 13.359 8.868 1.00 41.21 O ATOM 1323 CB TYR A 92 9.755 15.346 10.909 1.00 51.54 C ATOM 1324 CG TYR A 92 10.949 16.262 10.758 1.00 22.44 C ATOM 1325 CD1 TYR A 92 11.795 16.159 9.661 1.00 74.23 C ATOM 1326 CD2 TYR A 92 11.231 17.230 11.714 1.00 24.01 C ATOM 1327 CE1 TYR A 92 12.887 16.992 9.520 1.00 2.31 C ATOM 1328 CE2 TYR A 92 12.321 18.069 11.581 1.00 71.21 C ATOM 1329 CZ TYR A 92 13.146 17.946 10.483 1.00 60.25 C ATOM 1330 OH TYR A 92 14.233 18.779 10.345 1.00 34.13 O ATOM 0 H TYR A 92 7.197 14.060 9.975 1.00 72.45 H new ATOM 0 HA TYR A 92 8.755 16.420 9.338 1.00 71.31 H new ATOM 0 HB2 TYR A 92 9.217 15.611 11.819 1.00 51.54 H new ATOM 0 HB3 TYR A 92 10.106 14.322 11.034 1.00 51.54 H new ATOM 0 HD1 TYR A 92 11.595 15.414 8.905 1.00 74.23 H new ATOM 0 HD2 TYR A 92 10.587 17.328 12.576 1.00 24.01 H new ATOM 0 HE1 TYR A 92 13.535 16.898 8.661 1.00 2.31 H new ATOM 0 HE2 TYR A 92 12.526 18.817 12.333 1.00 71.21 H new ATOM 0 HH TYR A 92 14.273 19.394 11.107 1.00 34.13 H new ATOM 1340 N SER A 93 9.194 14.958 7.375 1.00 62.44 N ATOM 1341 CA SER A 93 9.625 14.176 6.221 1.00 1.32 C ATOM 1342 C SER A 93 10.901 14.756 5.619 1.00 62.25 C ATOM 1343 O SER A 93 11.159 15.955 5.718 1.00 63.41 O ATOM 1344 CB SER A 93 8.520 14.137 5.164 1.00 63.04 C ATOM 1345 OG SER A 93 7.989 15.430 4.933 1.00 12.21 O ATOM 0 H SER A 93 8.832 15.884 7.146 1.00 62.44 H new ATOM 0 HA SER A 93 9.832 13.160 6.557 1.00 1.32 H new ATOM 0 HB2 SER A 93 8.917 13.732 4.233 1.00 63.04 H new ATOM 0 HB3 SER A 93 7.725 13.467 5.490 1.00 63.04 H new ATOM 0 HG SER A 93 7.286 15.378 4.252 1.00 12.21 H new ATOM 1351 N GLY A 94 11.697 13.894 4.993 1.00 42.14 N ATOM 1352 CA GLY A 94 12.937 14.338 4.383 1.00 62.31 C ATOM 1353 C GLY A 94 14.133 13.529 4.846 1.00 73.12 C ATOM 1354 O GLY A 94 15.267 14.005 4.805 1.00 42.12 O ATOM 0 H GLY A 94 11.505 12.897 4.898 1.00 42.14 H new ATOM 0 HA2 GLY A 94 12.851 14.266 3.299 1.00 62.31 H new ATOM 0 HA3 GLY A 94 13.099 15.389 4.621 1.00 62.31 H new ATOM 1358 N VAL A 95 13.879 12.302 5.290 1.00 62.24 N ATOM 1359 CA VAL A 95 14.944 11.425 5.763 1.00 35.01 C ATOM 1360 C VAL A 95 15.145 10.246 4.818 1.00 24.21 C ATOM 1361 O VAL A 95 14.186 9.705 4.267 1.00 52.41 O ATOM 1362 CB VAL A 95 14.644 10.891 7.176 1.00 35.32 C ATOM 1363 CG1 VAL A 95 15.920 10.813 8.000 1.00 32.00 C ATOM 1364 CG2 VAL A 95 13.606 11.764 7.866 1.00 21.52 C ATOM 0 H VAL A 95 12.946 11.893 5.332 1.00 62.24 H new ATOM 0 HA VAL A 95 15.856 12.021 5.794 1.00 35.01 H new ATOM 0 HB VAL A 95 14.237 9.884 7.086 1.00 35.32 H new ATOM 0 HG11 VAL A 95 15.688 10.434 8.995 1.00 32.00 H new ATOM 0 HG12 VAL A 95 16.628 10.143 7.512 1.00 32.00 H new ATOM 0 HG13 VAL A 95 16.360 11.807 8.084 1.00 32.00 H new ATOM 0 HG21 VAL A 95 13.406 11.372 8.863 1.00 21.52 H new ATOM 0 HG22 VAL A 95 13.983 12.784 7.946 1.00 21.52 H new ATOM 0 HG23 VAL A 95 12.684 11.762 7.284 1.00 21.52 H new ATOM 1374 N THR A 96 16.401 9.850 4.635 1.00 62.34 N ATOM 1375 CA THR A 96 16.730 8.735 3.756 1.00 62.33 C ATOM 1376 C THR A 96 17.030 7.473 4.557 1.00 74.11 C ATOM 1377 O THR A 96 17.984 7.431 5.334 1.00 23.51 O ATOM 1378 CB THR A 96 17.942 9.062 2.863 1.00 71.23 C ATOM 1379 OG1 THR A 96 17.999 10.470 2.611 1.00 54.25 O ATOM 1380 CG2 THR A 96 17.861 8.308 1.544 1.00 42.23 C ATOM 0 H THR A 96 17.207 10.285 5.084 1.00 62.34 H new ATOM 0 HA THR A 96 15.858 8.563 3.125 1.00 62.33 H new ATOM 0 HB THR A 96 18.846 8.750 3.386 1.00 71.23 H new ATOM 0 HG1 THR A 96 18.773 10.670 2.044 1.00 54.25 H new ATOM 0 HG21 THR A 96 18.727 8.555 0.930 1.00 42.23 H new ATOM 0 HG22 THR A 96 17.847 7.236 1.738 1.00 42.23 H new ATOM 0 HG23 THR A 96 16.950 8.593 1.017 1.00 42.23 H new ATOM 1388 N LEU A 97 16.210 6.446 4.363 1.00 55.02 N ATOM 1389 CA LEU A 97 16.387 5.181 5.067 1.00 3.14 C ATOM 1390 C LEU A 97 16.943 4.111 4.133 1.00 33.23 C ATOM 1391 O LEU A 97 16.547 4.019 2.971 1.00 40.41 O ATOM 1392 CB LEU A 97 15.057 4.715 5.662 1.00 24.23 C ATOM 1393 CG LEU A 97 14.986 3.245 6.076 1.00 21.43 C ATOM 1394 CD1 LEU A 97 15.751 3.017 7.371 1.00 62.22 C ATOM 1395 CD2 LEU A 97 13.538 2.802 6.226 1.00 53.22 C ATOM 0 H LEU A 97 15.416 6.465 3.724 1.00 55.02 H new ATOM 0 HA LEU A 97 17.103 5.340 5.874 1.00 3.14 H new ATOM 0 HB2 LEU A 97 14.838 5.329 6.536 1.00 24.23 H new ATOM 0 HB3 LEU A 97 14.269 4.905 4.933 1.00 24.23 H new ATOM 0 HG LEU A 97 15.450 2.645 5.293 1.00 21.43 H new ATOM 0 HD11 LEU A 97 15.689 1.965 7.650 1.00 62.22 H new ATOM 0 HD12 LEU A 97 16.796 3.294 7.230 1.00 62.22 H new ATOM 0 HD13 LEU A 97 15.317 3.628 8.162 1.00 62.22 H new ATOM 0 HD21 LEU A 97 13.507 1.753 6.521 1.00 53.22 H new ATOM 0 HD22 LEU A 97 13.049 3.408 6.989 1.00 53.22 H new ATOM 0 HD23 LEU A 97 13.019 2.927 5.276 1.00 53.22 H new ATOM 1407 N LYS A 98 17.861 3.301 4.650 1.00 73.24 N ATOM 1408 CA LYS A 98 18.469 2.234 3.864 1.00 31.50 C ATOM 1409 C LYS A 98 18.743 1.009 4.731 1.00 70.44 C ATOM 1410 O LYS A 98 18.717 1.086 5.960 1.00 55.43 O ATOM 1411 CB LYS A 98 19.771 2.721 3.225 1.00 2.21 C ATOM 1412 CG LYS A 98 20.282 1.815 2.118 1.00 11.40 C ATOM 1413 CD LYS A 98 20.791 2.617 0.932 1.00 5.11 C ATOM 1414 CE LYS A 98 21.742 3.720 1.372 1.00 62.10 C ATOM 1415 NZ LYS A 98 22.503 4.287 0.224 1.00 12.12 N ATOM 0 H LYS A 98 18.200 3.363 5.610 1.00 73.24 H new ATOM 0 HA LYS A 98 17.769 1.952 3.077 1.00 31.50 H new ATOM 0 HB2 LYS A 98 19.616 3.722 2.821 1.00 2.21 H new ATOM 0 HB3 LYS A 98 20.536 2.804 3.997 1.00 2.21 H new ATOM 0 HG2 LYS A 98 21.084 1.185 2.503 1.00 11.40 H new ATOM 0 HG3 LYS A 98 19.482 1.150 1.792 1.00 11.40 H new ATOM 0 HD2 LYS A 98 21.301 1.953 0.234 1.00 5.11 H new ATOM 0 HD3 LYS A 98 19.947 3.054 0.398 1.00 5.11 H new ATOM 0 HE2 LYS A 98 21.177 4.514 1.860 1.00 62.10 H new ATOM 0 HE3 LYS A 98 22.440 3.325 2.110 1.00 62.10 H new ATOM 0 HZ1 LYS A 98 23.140 5.035 0.565 1.00 12.12 H new ATOM 0 HZ2 LYS A 98 23.063 3.535 -0.227 1.00 12.12 H new ATOM 0 HZ3 LYS A 98 21.839 4.687 -0.469 1.00 12.12 H new ATOM 1429 N LEU A 99 19.007 -0.121 4.083 1.00 23.04 N ATOM 1430 CA LEU A 99 19.288 -1.363 4.795 1.00 3.14 C ATOM 1431 C LEU A 99 20.787 -1.535 5.020 1.00 2.31 C ATOM 1432 O LEU A 99 21.592 -1.272 4.127 1.00 72.34 O ATOM 1433 CB LEU A 99 18.738 -2.557 4.014 1.00 30.42 C ATOM 1434 CG LEU A 99 19.596 -3.823 4.030 1.00 10.05 C ATOM 1435 CD1 LEU A 99 18.729 -5.058 3.842 1.00 30.12 C ATOM 1436 CD2 LEU A 99 20.669 -3.753 2.954 1.00 24.51 C ATOM 0 H LEU A 99 19.032 -0.203 3.067 1.00 23.04 H new ATOM 0 HA LEU A 99 18.797 -1.315 5.767 1.00 3.14 H new ATOM 0 HB2 LEU A 99 17.754 -2.804 4.413 1.00 30.42 H new ATOM 0 HB3 LEU A 99 18.595 -2.252 2.977 1.00 30.42 H new ATOM 0 HG LEU A 99 20.087 -3.894 5.001 1.00 10.05 H new ATOM 0 HD11 LEU A 99 19.357 -5.949 3.856 1.00 30.12 H new ATOM 0 HD12 LEU A 99 17.999 -5.116 4.649 1.00 30.12 H new ATOM 0 HD13 LEU A 99 18.209 -4.996 2.886 1.00 30.12 H new ATOM 0 HD21 LEU A 99 21.270 -4.662 2.980 1.00 24.51 H new ATOM 0 HD22 LEU A 99 20.198 -3.657 1.976 1.00 24.51 H new ATOM 0 HD23 LEU A 99 21.309 -2.889 3.134 1.00 24.51 H new ATOM 1448 N GLN A 100 21.154 -1.979 6.218 1.00 13.40 N ATOM 1449 CA GLN A 100 22.556 -2.187 6.559 1.00 41.22 C ATOM 1450 C GLN A 100 22.945 -3.652 6.391 1.00 2.12 C ATOM 1451 O GLN A 100 22.469 -4.519 7.124 1.00 11.24 O ATOM 1452 CB GLN A 100 22.826 -1.736 7.995 1.00 20.24 C ATOM 1453 CG GLN A 100 22.027 -2.506 9.035 1.00 42.12 C ATOM 1454 CD GLN A 100 22.830 -3.617 9.683 1.00 50.42 C ATOM 1455 OE1 GLN A 100 23.915 -3.967 9.217 1.00 34.32 O ATOM 1456 NE2 GLN A 100 22.300 -4.177 10.764 1.00 63.01 N ATOM 0 H GLN A 100 20.500 -2.201 6.968 1.00 13.40 H new ATOM 0 HA GLN A 100 23.162 -1.589 5.879 1.00 41.22 H new ATOM 0 HB2 GLN A 100 23.889 -1.849 8.209 1.00 20.24 H new ATOM 0 HB3 GLN A 100 22.594 -0.675 8.083 1.00 20.24 H new ATOM 0 HG2 GLN A 100 21.681 -1.817 9.805 1.00 42.12 H new ATOM 0 HG3 GLN A 100 21.140 -2.931 8.565 1.00 42.12 H new ATOM 0 HE21 GLN A 100 21.398 -3.855 11.115 1.00 63.01 H new ATOM 0 HE22 GLN A 100 22.795 -4.929 11.243 1.00 63.01 H new ATOM 1465 N TYR A 101 23.813 -3.921 5.422 1.00 31.12 N ATOM 1466 CA TYR A 101 24.264 -5.282 5.156 1.00 10.15 C ATOM 1467 C TYR A 101 25.753 -5.430 5.455 1.00 33.51 C ATOM 1468 O TYR A 101 26.154 -6.272 6.257 1.00 72.32 O ATOM 1469 CB TYR A 101 23.984 -5.659 3.701 1.00 63.32 C ATOM 1470 CG TYR A 101 24.740 -4.814 2.700 1.00 22.43 C ATOM 1471 CD1 TYR A 101 24.304 -3.537 2.370 1.00 73.22 C ATOM 1472 CD2 TYR A 101 25.890 -5.293 2.085 1.00 70.33 C ATOM 1473 CE1 TYR A 101 24.991 -2.762 1.456 1.00 53.22 C ATOM 1474 CE2 TYR A 101 26.584 -4.524 1.171 1.00 60.52 C ATOM 1475 CZ TYR A 101 26.130 -3.260 0.859 1.00 4.34 C ATOM 1476 OH TYR A 101 26.818 -2.491 -0.052 1.00 22.24 O ATOM 0 H TYR A 101 24.218 -3.215 4.808 1.00 31.12 H new ATOM 0 HA TYR A 101 23.712 -5.956 5.811 1.00 10.15 H new ATOM 0 HB2 TYR A 101 24.244 -6.707 3.549 1.00 63.32 H new ATOM 0 HB3 TYR A 101 22.915 -5.565 3.509 1.00 63.32 H new ATOM 0 HD1 TYR A 101 23.413 -3.143 2.836 1.00 73.22 H new ATOM 0 HD2 TYR A 101 26.247 -6.283 2.326 1.00 70.33 H new ATOM 0 HE1 TYR A 101 24.638 -1.771 1.210 1.00 53.22 H new ATOM 0 HE2 TYR A 101 27.477 -4.911 0.703 1.00 60.52 H new ATOM 0 HH TYR A 101 27.597 -2.988 -0.378 1.00 22.24 H new