USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 904 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 96 MET CE :methyl -124:sc= -1.01 (180deg=-2.55) USER MOD Set 1.2: A 98 THR OG1 : rot -90:sc= 1.33 USER MOD Set 1.3: A 103 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 75 THR OG1 : rot -118:sc= 0.632 USER MOD Set 2.2: A 77 SER OG : rot 107:sc= 0.652 USER MOD Set 3.1: A 63 SER OG : rot 172:sc= -0.72 USER MOD Set 3.2: A 111 HIS : no HE2:sc= -0.312 K(o=-1,f=-3.6!) USER MOD Set 4.1: A 31 THR OG1 : rot -94:sc= 1.03 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -1.37 K(o=-0.34,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.063 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00173 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 48:sc= 0.195 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -132:sc= -3.35 (180deg=-3.54!) USER MOD Single : A 26 GLN : amide:sc= -0.0965 K(o=-0.096,f=-1.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.346 K(o=-0.35,f=-0.91) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00485 X(o=-0.0049,f=-0.032) USER MOD Single : A 48 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.9) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 133:sc= 0.718 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 125:sc= 1.44 USER MOD Single : A 62 THR OG1 : rot 43:sc= -0.705 USER MOD Single : A 65 SER OG : rot -170:sc= -0.0449 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0769) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0299 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.033 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -21:sc= -0.933 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -4.36! C(o=-4.4!,f=-8.8!) USER MOD Single : A 89 THR OG1 : rot 80:sc= 0.94 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.322 (180deg=-1.35!) USER MOD Single : A 91 TYR OH : rot 65:sc= 0.738! USER MOD Single : A 94 SER OG : rot 84:sc= -0.443 USER MOD Single : A 99 LYS NZ :NH3+ 148:sc= -0.412 (180deg=-1.6!) USER MOD Single : A 100 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 104 SER OG : rot -74:sc= 0.321 USER MOD Single : A 105 THR OG1 : rot -154:sc= -0.573 USER MOD Single : A 107 SER OG : rot -67:sc= -2.84! USER MOD Single : A 108 MET CE :methyl -123:sc= -0.0302 (180deg=-0.545) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 114 THR OG1 : rot -158:sc= 1.38 USER MOD Single : A 115 TYR OH : rot 162:sc= 0.327 USER MOD Single : A 118 SER OG : rot -58:sc= 0.678 USER MOD Single : A 121 SER OG : rot 180:sc=0.000586 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.486 -5.178 41.923 1.00 0.00 N ATOM 2 CA GLY A 1 -11.066 -4.793 40.649 1.00 0.00 C ATOM 3 C GLY A 1 -10.024 -4.645 39.558 1.00 0.00 C ATOM 4 O GLY A 1 -8.827 -4.578 39.839 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.671 -6.186 42.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.459 -5.013 41.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.911 -4.611 42.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.800 -5.540 40.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.601 -3.850 40.767 1.00 0.00 H new ATOM 8 N SER A 2 -10.479 -4.595 38.310 1.00 0.00 N ATOM 9 CA SER A 2 -9.577 -4.459 37.173 1.00 0.00 C ATOM 10 C SER A 2 -9.637 -3.048 36.597 1.00 0.00 C ATOM 11 O SER A 2 -10.543 -2.715 35.834 1.00 0.00 O ATOM 12 CB SER A 2 -9.931 -5.479 36.090 1.00 0.00 C ATOM 13 OG SER A 2 -9.866 -6.802 36.594 1.00 0.00 O ATOM 0 H SER A 2 -11.467 -4.647 38.061 1.00 0.00 H new ATOM 0 HA SER A 2 -8.562 -4.647 37.522 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.934 -5.279 35.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.246 -5.373 35.249 1.00 0.00 H new ATOM 0 HG SER A 2 -10.098 -7.435 35.883 1.00 0.00 H new ATOM 19 N SER A 3 -8.664 -2.222 36.969 1.00 0.00 N ATOM 20 CA SER A 3 -8.607 -0.844 36.494 1.00 0.00 C ATOM 21 C SER A 3 -7.763 -0.741 35.227 1.00 0.00 C ATOM 22 O SER A 3 -8.136 -0.061 34.273 1.00 0.00 O ATOM 23 CB SER A 3 -8.033 0.069 37.579 1.00 0.00 C ATOM 24 OG SER A 3 -6.733 -0.347 37.960 1.00 0.00 O ATOM 0 H SER A 3 -7.904 -2.483 37.598 1.00 0.00 H new ATOM 0 HA SER A 3 -9.622 -0.524 36.260 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.997 1.095 37.214 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.690 0.063 38.449 1.00 0.00 H new ATOM 0 HG SER A 3 -6.387 0.253 38.653 1.00 0.00 H new ATOM 30 N GLY A 4 -6.621 -1.423 35.227 1.00 0.00 N ATOM 31 CA GLY A 4 -5.741 -1.396 34.074 1.00 0.00 C ATOM 32 C GLY A 4 -6.492 -1.560 32.767 1.00 0.00 C ATOM 33 O GLY A 4 -6.875 -2.670 32.399 1.00 0.00 O ATOM 0 H GLY A 4 -6.290 -1.993 36.005 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.195 -0.453 34.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.001 -2.191 34.167 1.00 0.00 H new ATOM 37 N SER A 5 -6.705 -0.451 32.066 1.00 0.00 N ATOM 38 CA SER A 5 -7.420 -0.476 30.795 1.00 0.00 C ATOM 39 C SER A 5 -6.646 0.283 29.721 1.00 0.00 C ATOM 40 O SER A 5 -6.421 1.487 29.837 1.00 0.00 O ATOM 41 CB SER A 5 -8.815 0.130 30.959 1.00 0.00 C ATOM 42 OG SER A 5 -9.630 -0.155 29.835 1.00 0.00 O ATOM 0 H SER A 5 -6.393 0.476 32.356 1.00 0.00 H new ATOM 0 HA SER A 5 -7.518 -1.515 30.481 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.283 -0.265 31.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.733 1.209 31.089 1.00 0.00 H new ATOM 0 HG SER A 5 -10.517 0.242 29.965 1.00 0.00 H new ATOM 48 N SER A 6 -6.242 -0.432 28.676 1.00 0.00 N ATOM 49 CA SER A 6 -5.490 0.172 27.582 1.00 0.00 C ATOM 50 C SER A 6 -5.931 -0.401 26.239 1.00 0.00 C ATOM 51 O SER A 6 -6.715 -1.347 26.182 1.00 0.00 O ATOM 52 CB SER A 6 -3.990 -0.057 27.779 1.00 0.00 C ATOM 53 OG SER A 6 -3.414 0.980 28.556 1.00 0.00 O ATOM 0 H SER A 6 -6.423 -1.430 28.564 1.00 0.00 H new ATOM 0 HA SER A 6 -5.690 1.243 27.584 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.827 -1.017 28.269 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.496 -0.106 26.809 1.00 0.00 H new ATOM 0 HG SER A 6 -2.456 0.810 28.669 1.00 0.00 H new ATOM 59 N GLY A 7 -5.420 0.181 25.158 1.00 0.00 N ATOM 60 CA GLY A 7 -5.772 -0.284 23.829 1.00 0.00 C ATOM 61 C GLY A 7 -4.560 -0.455 22.935 1.00 0.00 C ATOM 62 O GLY A 7 -3.671 -1.256 23.228 1.00 0.00 O ATOM 0 H GLY A 7 -4.769 0.966 25.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.299 -1.235 23.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.461 0.425 23.370 1.00 0.00 H new ATOM 66 N PHE A 8 -4.523 0.297 21.840 1.00 0.00 N ATOM 67 CA PHE A 8 -3.412 0.222 20.898 1.00 0.00 C ATOM 68 C PHE A 8 -2.848 1.611 20.611 1.00 0.00 C ATOM 69 O PHE A 8 -3.475 2.438 19.949 1.00 0.00 O ATOM 70 CB PHE A 8 -3.864 -0.437 19.593 1.00 0.00 C ATOM 71 CG PHE A 8 -2.726 -0.851 18.705 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.866 -1.867 19.086 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.517 -0.223 17.487 1.00 0.00 C ATOM 74 CE1 PHE A 8 -0.818 -2.251 18.271 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.472 -0.602 16.667 1.00 0.00 C ATOM 76 CZ PHE A 8 -0.620 -1.617 17.060 1.00 0.00 C ATOM 0 H PHE A 8 -5.249 0.965 21.583 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.627 -0.384 21.349 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.468 -1.313 19.828 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.506 0.256 19.049 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.016 -2.366 20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.179 0.572 17.176 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.155 -3.045 18.580 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.321 -0.106 15.720 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.199 -1.914 16.421 1.00 0.00 H new ATOM 86 N PRO A 9 -1.635 1.873 21.121 1.00 0.00 N ATOM 87 CA PRO A 9 -0.960 3.161 20.933 1.00 0.00 C ATOM 88 C PRO A 9 -0.508 3.373 19.492 1.00 0.00 C ATOM 89 O PRO A 9 -0.831 2.582 18.605 1.00 0.00 O ATOM 90 CB PRO A 9 0.251 3.065 21.864 1.00 0.00 C ATOM 91 CG PRO A 9 0.514 1.604 21.996 1.00 0.00 C ATOM 92 CD PRO A 9 -0.830 0.934 21.919 1.00 0.00 C ATOM 0 HA PRO A 9 -1.618 4.002 21.152 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.113 3.586 21.447 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.042 3.519 22.833 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.172 1.252 21.201 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.008 1.380 22.941 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.764 -0.044 21.443 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.259 0.778 22.909 1.00 0.00 H new ATOM 100 N THR A 10 0.243 4.447 19.264 1.00 0.00 N ATOM 101 CA THR A 10 0.738 4.763 17.930 1.00 0.00 C ATOM 102 C THR A 10 1.680 3.678 17.422 1.00 0.00 C ATOM 103 O THR A 10 2.613 3.276 18.118 1.00 0.00 O ATOM 104 CB THR A 10 1.474 6.117 17.911 1.00 0.00 C ATOM 105 OG1 THR A 10 0.712 7.099 18.622 1.00 0.00 O ATOM 106 CG2 THR A 10 1.709 6.585 16.483 1.00 0.00 C ATOM 0 H THR A 10 0.521 5.112 19.986 1.00 0.00 H new ATOM 0 HA THR A 10 -0.131 4.821 17.275 1.00 0.00 H new ATOM 0 HB THR A 10 2.441 5.987 18.397 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.187 7.956 18.607 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.230 7.542 16.495 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.315 5.849 15.954 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.751 6.699 15.975 1.00 0.00 H new ATOM 114 N SER A 11 1.432 3.208 16.204 1.00 0.00 N ATOM 115 CA SER A 11 2.257 2.167 15.603 1.00 0.00 C ATOM 116 C SER A 11 3.599 2.732 15.148 1.00 0.00 C ATOM 117 O SER A 11 4.625 2.524 15.795 1.00 0.00 O ATOM 118 CB SER A 11 1.529 1.532 14.416 1.00 0.00 C ATOM 119 OG SER A 11 0.743 0.428 14.831 1.00 0.00 O ATOM 0 H SER A 11 0.666 3.532 15.614 1.00 0.00 H new ATOM 0 HA SER A 11 2.442 1.403 16.358 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.893 2.275 13.936 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.256 1.206 13.672 1.00 0.00 H new ATOM 0 HG SER A 11 0.214 0.680 15.616 1.00 0.00 H new ATOM 125 N VAL A 12 3.583 3.448 14.028 1.00 0.00 N ATOM 126 CA VAL A 12 4.798 4.045 13.485 1.00 0.00 C ATOM 127 C VAL A 12 4.712 5.567 13.491 1.00 0.00 C ATOM 128 O VAL A 12 3.657 6.155 13.255 1.00 0.00 O ATOM 129 CB VAL A 12 5.066 3.562 12.048 1.00 0.00 C ATOM 130 CG1 VAL A 12 5.309 2.061 12.025 1.00 0.00 C ATOM 131 CG2 VAL A 12 3.908 3.937 11.135 1.00 0.00 C ATOM 0 H VAL A 12 2.742 3.629 13.479 1.00 0.00 H new ATOM 0 HA VAL A 12 5.621 3.728 14.126 1.00 0.00 H new ATOM 0 HB VAL A 12 5.965 4.057 11.679 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.497 1.738 11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.174 1.823 12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.431 1.544 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.115 3.588 10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.992 3.472 11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.787 5.020 11.127 1.00 0.00 H new ATOM 141 N PRO A 13 5.849 6.223 13.767 1.00 0.00 N ATOM 142 CA PRO A 13 5.929 7.686 13.809 1.00 0.00 C ATOM 143 C PRO A 13 5.787 8.314 12.427 1.00 0.00 C ATOM 144 O PRO A 13 5.800 7.616 11.413 1.00 0.00 O ATOM 145 CB PRO A 13 7.327 7.949 14.375 1.00 0.00 C ATOM 146 CG PRO A 13 8.114 6.735 14.018 1.00 0.00 C ATOM 147 CD PRO A 13 7.145 5.586 14.058 1.00 0.00 C ATOM 0 HA PRO A 13 5.125 8.121 14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.767 8.848 13.942 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.296 8.097 15.454 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.559 6.836 13.028 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.932 6.580 14.721 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.394 4.825 13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.142 5.096 15.032 1.00 0.00 H new ATOM 155 N ASP A 14 5.652 9.635 12.394 1.00 0.00 N ATOM 156 CA ASP A 14 5.510 10.358 11.136 1.00 0.00 C ATOM 157 C ASP A 14 6.713 11.262 10.888 1.00 0.00 C ATOM 158 O ASP A 14 7.418 11.645 11.823 1.00 0.00 O ATOM 159 CB ASP A 14 4.225 11.189 11.143 1.00 0.00 C ATOM 160 CG ASP A 14 4.057 11.983 12.423 1.00 0.00 C ATOM 161 OD1 ASP A 14 3.478 11.439 13.386 1.00 0.00 O ATOM 162 OD2 ASP A 14 4.503 13.149 12.462 1.00 0.00 O ATOM 0 H ASP A 14 5.638 10.227 13.224 1.00 0.00 H new ATOM 0 HA ASP A 14 5.457 9.626 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.233 11.872 10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.368 10.528 11.013 1.00 0.00 H new ATOM 167 N LEU A 15 6.944 11.599 9.624 1.00 0.00 N ATOM 168 CA LEU A 15 8.064 12.457 9.253 1.00 0.00 C ATOM 169 C LEU A 15 7.659 13.927 9.291 1.00 0.00 C ATOM 170 O LEU A 15 6.484 14.262 9.138 1.00 0.00 O ATOM 171 CB LEU A 15 8.571 12.092 7.857 1.00 0.00 C ATOM 172 CG LEU A 15 9.255 10.730 7.726 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.221 9.616 7.680 1.00 0.00 C ATOM 174 CD2 LEU A 15 10.137 10.693 6.487 1.00 0.00 C ATOM 0 H LEU A 15 6.371 11.291 8.839 1.00 0.00 H new ATOM 0 HA LEU A 15 8.865 12.301 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.728 12.121 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.273 12.861 7.535 1.00 0.00 H new ATOM 0 HG LEU A 15 9.886 10.576 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.726 8.655 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.631 9.629 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.563 9.765 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.616 9.717 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.527 10.869 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.901 11.467 6.561 1.00 0.00 H new ATOM 186 N SER A 16 8.640 14.801 9.494 1.00 0.00 N ATOM 187 CA SER A 16 8.386 16.235 9.553 1.00 0.00 C ATOM 188 C SER A 16 8.610 16.884 8.191 1.00 0.00 C ATOM 189 O SER A 16 9.649 17.498 7.945 1.00 0.00 O ATOM 190 CB SER A 16 9.290 16.892 10.599 1.00 0.00 C ATOM 191 OG SER A 16 8.824 16.631 11.912 1.00 0.00 O ATOM 0 H SER A 16 9.618 14.540 9.620 1.00 0.00 H new ATOM 0 HA SER A 16 7.345 16.383 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.308 16.519 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.325 17.968 10.429 1.00 0.00 H new ATOM 0 HG SER A 16 9.419 17.060 12.562 1.00 0.00 H new ATOM 197 N THR A 17 7.628 16.743 7.306 1.00 0.00 N ATOM 198 CA THR A 17 7.717 17.313 5.968 1.00 0.00 C ATOM 199 C THR A 17 6.449 18.081 5.612 1.00 0.00 C ATOM 200 O THR A 17 5.345 17.733 6.032 1.00 0.00 O ATOM 201 CB THR A 17 7.958 16.222 4.908 1.00 0.00 C ATOM 202 OG1 THR A 17 6.952 15.208 5.011 1.00 0.00 O ATOM 203 CG2 THR A 17 9.334 15.597 5.078 1.00 0.00 C ATOM 0 H THR A 17 6.761 16.238 7.492 1.00 0.00 H new ATOM 0 HA THR A 17 8.564 17.999 5.972 1.00 0.00 H new ATOM 0 HB THR A 17 7.906 16.686 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.111 14.519 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.481 14.829 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.099 16.366 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.409 15.147 6.068 1.00 0.00 H new ATOM 211 N PRO A 18 6.607 19.151 4.818 1.00 0.00 N ATOM 212 CA PRO A 18 5.485 19.989 4.387 1.00 0.00 C ATOM 213 C PRO A 18 4.570 19.271 3.401 1.00 0.00 C ATOM 214 O PRO A 18 3.620 19.856 2.882 1.00 0.00 O ATOM 215 CB PRO A 18 6.171 21.179 3.711 1.00 0.00 C ATOM 216 CG PRO A 18 7.489 20.651 3.260 1.00 0.00 C ATOM 217 CD PRO A 18 7.894 19.624 4.280 1.00 0.00 C ATOM 0 HA PRO A 18 4.841 20.268 5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.584 21.549 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.294 22.011 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.413 20.207 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.228 21.450 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.463 18.812 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.521 20.057 5.060 1.00 0.00 H new ATOM 225 N MET A 19 4.862 17.999 3.148 1.00 0.00 N ATOM 226 CA MET A 19 4.064 17.201 2.225 1.00 0.00 C ATOM 227 C MET A 19 2.988 16.420 2.973 1.00 0.00 C ATOM 228 O MET A 19 3.061 16.252 4.191 1.00 0.00 O ATOM 229 CB MET A 19 4.959 16.238 1.444 1.00 0.00 C ATOM 230 CG MET A 19 5.683 16.892 0.278 1.00 0.00 C ATOM 231 SD MET A 19 4.551 17.540 -0.967 1.00 0.00 S ATOM 232 CE MET A 19 4.179 16.052 -1.893 1.00 0.00 C ATOM 0 H MET A 19 5.645 17.499 3.569 1.00 0.00 H new ATOM 0 HA MET A 19 3.576 17.880 1.525 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.695 15.808 2.123 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.352 15.414 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.308 17.703 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.349 16.164 -0.186 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.282 16.252 -2.960 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.871 15.261 -1.604 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.158 15.737 -1.680 1.00 0.00 H new ATOM 242 N LEU A 20 1.989 15.944 2.237 1.00 0.00 N ATOM 243 CA LEU A 20 0.897 15.181 2.831 1.00 0.00 C ATOM 244 C LEU A 20 0.507 14.005 1.940 1.00 0.00 C ATOM 245 O LEU A 20 -0.105 14.171 0.885 1.00 0.00 O ATOM 246 CB LEU A 20 -0.315 16.084 3.063 1.00 0.00 C ATOM 247 CG LEU A 20 -1.233 15.691 4.222 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.701 14.252 4.068 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.522 15.882 5.554 1.00 0.00 C ATOM 0 H LEU A 20 1.913 16.073 1.228 1.00 0.00 H new ATOM 0 HA LEU A 20 1.239 14.789 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.041 17.099 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.907 16.106 2.148 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.108 16.340 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.353 13.990 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.249 14.146 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.837 13.587 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.190 15.598 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.371 15.258 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.237 16.928 5.668 1.00 0.00 H new ATOM 261 N PRO A 21 0.868 12.789 2.374 1.00 0.00 N ATOM 262 CA PRO A 21 0.563 11.561 1.633 1.00 0.00 C ATOM 263 C PRO A 21 -0.925 11.232 1.643 1.00 0.00 C ATOM 264 O PRO A 21 -1.713 11.832 2.374 1.00 0.00 O ATOM 265 CB PRO A 21 1.354 10.488 2.384 1.00 0.00 C ATOM 266 CG PRO A 21 1.502 11.023 3.766 1.00 0.00 C ATOM 267 CD PRO A 21 1.600 12.517 3.623 1.00 0.00 C ATOM 0 HA PRO A 21 0.827 11.645 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.826 9.534 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.325 10.315 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.649 10.745 4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.392 10.618 4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.151 13.032 4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.637 12.848 3.561 1.00 0.00 H new ATOM 275 N PRO A 22 -1.322 10.254 0.815 1.00 0.00 N ATOM 276 CA PRO A 22 -2.719 9.822 0.711 1.00 0.00 C ATOM 277 C PRO A 22 -3.192 9.088 1.961 1.00 0.00 C ATOM 278 O PRO A 22 -2.405 8.811 2.866 1.00 0.00 O ATOM 279 CB PRO A 22 -2.709 8.876 -0.492 1.00 0.00 C ATOM 280 CG PRO A 22 -1.310 8.370 -0.565 1.00 0.00 C ATOM 281 CD PRO A 22 -0.436 9.495 -0.085 1.00 0.00 C ATOM 0 HA PRO A 22 -3.400 10.666 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.419 8.059 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.990 9.397 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.183 7.484 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.052 8.083 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.446 9.124 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.081 10.110 -0.912 1.00 0.00 H new ATOM 289 N VAL A 23 -4.484 8.777 2.005 1.00 0.00 N ATOM 290 CA VAL A 23 -5.062 8.074 3.144 1.00 0.00 C ATOM 291 C VAL A 23 -5.944 6.917 2.686 1.00 0.00 C ATOM 292 O VAL A 23 -6.045 6.635 1.493 1.00 0.00 O ATOM 293 CB VAL A 23 -5.896 9.023 4.025 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.031 10.155 4.558 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.082 9.569 3.245 1.00 0.00 C ATOM 0 H VAL A 23 -5.150 9.001 1.265 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.230 7.683 3.730 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.279 8.459 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.637 10.815 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.218 9.742 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.617 10.720 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.660 10.238 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.723 10.118 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.714 8.743 2.918 1.00 0.00 H new ATOM 305 N GLY A 24 -6.582 6.251 3.644 1.00 0.00 N ATOM 306 CA GLY A 24 -7.447 5.132 3.319 1.00 0.00 C ATOM 307 C GLY A 24 -6.891 4.275 2.200 1.00 0.00 C ATOM 308 O GLY A 24 -7.515 4.132 1.148 1.00 0.00 O ATOM 0 H GLY A 24 -6.515 6.466 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.589 4.517 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.429 5.508 3.031 1.00 0.00 H new ATOM 312 N VAL A 25 -5.712 3.702 2.424 1.00 0.00 N ATOM 313 CA VAL A 25 -5.071 2.855 1.426 1.00 0.00 C ATOM 314 C VAL A 25 -5.619 1.433 1.480 1.00 0.00 C ATOM 315 O VAL A 25 -5.385 0.704 2.443 1.00 0.00 O ATOM 316 CB VAL A 25 -3.544 2.813 1.623 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.890 1.965 0.543 1.00 0.00 C ATOM 318 CG2 VAL A 25 -2.969 4.221 1.629 1.00 0.00 C ATOM 0 H VAL A 25 -5.182 3.810 3.289 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.292 3.290 0.451 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.332 2.355 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.811 1.947 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.281 0.949 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.109 2.391 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.889 4.172 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.190 4.708 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.415 4.793 2.443 1.00 0.00 H new ATOM 328 N GLN A 26 -6.348 1.046 0.438 1.00 0.00 N ATOM 329 CA GLN A 26 -6.929 -0.289 0.367 1.00 0.00 C ATOM 330 C GLN A 26 -6.268 -1.113 -0.734 1.00 0.00 C ATOM 331 O GLN A 26 -5.969 -0.599 -1.811 1.00 0.00 O ATOM 332 CB GLN A 26 -8.436 -0.200 0.118 1.00 0.00 C ATOM 333 CG GLN A 26 -9.088 -1.546 -0.154 1.00 0.00 C ATOM 334 CD GLN A 26 -9.432 -2.296 1.118 1.00 0.00 C ATOM 335 OE1 GLN A 26 -9.687 -1.691 2.159 1.00 0.00 O ATOM 336 NE2 GLN A 26 -9.442 -3.622 1.039 1.00 0.00 N ATOM 0 H GLN A 26 -6.550 1.638 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.754 -0.785 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.913 0.257 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.617 0.460 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.995 -1.394 -0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.417 -2.155 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.224 -4.082 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.667 -4.180 1.862 1.00 0.00 H new ATOM 345 N ALA A 27 -6.044 -2.392 -0.455 1.00 0.00 N ATOM 346 CA ALA A 27 -5.420 -3.287 -1.422 1.00 0.00 C ATOM 347 C ALA A 27 -6.391 -4.373 -1.872 1.00 0.00 C ATOM 348 O ALA A 27 -6.674 -5.313 -1.129 1.00 0.00 O ATOM 349 CB ALA A 27 -4.164 -3.910 -0.831 1.00 0.00 C ATOM 0 H ALA A 27 -6.285 -2.832 0.433 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.143 -2.699 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.709 -4.576 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.457 -3.123 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.425 -4.478 0.062 1.00 0.00 H new ATOM 355 N VAL A 28 -6.900 -4.238 -3.092 1.00 0.00 N ATOM 356 CA VAL A 28 -7.840 -5.208 -3.640 1.00 0.00 C ATOM 357 C VAL A 28 -7.119 -6.258 -4.478 1.00 0.00 C ATOM 358 O VAL A 28 -6.263 -5.931 -5.299 1.00 0.00 O ATOM 359 CB VAL A 28 -8.913 -4.523 -4.508 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.005 -5.511 -4.887 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.498 -3.322 -3.780 1.00 0.00 C ATOM 0 H VAL A 28 -6.677 -3.466 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.325 -5.693 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.443 -4.170 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.753 -5.009 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.569 -6.336 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.476 -5.897 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.254 -2.850 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.954 -3.650 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.705 -2.605 -3.565 1.00 0.00 H new ATOM 371 N ALA A 29 -7.473 -7.522 -4.266 1.00 0.00 N ATOM 372 CA ALA A 29 -6.861 -8.621 -5.003 1.00 0.00 C ATOM 373 C ALA A 29 -7.713 -9.016 -6.205 1.00 0.00 C ATOM 374 O ALA A 29 -8.798 -9.579 -6.051 1.00 0.00 O ATOM 375 CB ALA A 29 -6.649 -9.817 -4.088 1.00 0.00 C ATOM 0 H ALA A 29 -8.180 -7.810 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.892 -8.284 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.191 -10.630 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.994 -9.533 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.609 -10.146 -3.691 1.00 0.00 H new ATOM 381 N LEU A 30 -7.216 -8.718 -7.400 1.00 0.00 N ATOM 382 CA LEU A 30 -7.932 -9.042 -8.629 1.00 0.00 C ATOM 383 C LEU A 30 -7.744 -10.510 -8.998 1.00 0.00 C ATOM 384 O LEU A 30 -8.715 -11.248 -9.169 1.00 0.00 O ATOM 385 CB LEU A 30 -7.448 -8.150 -9.774 1.00 0.00 C ATOM 386 CG LEU A 30 -7.387 -6.651 -9.478 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.509 -5.942 -10.497 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.786 -6.052 -9.469 1.00 0.00 C ATOM 0 H LEU A 30 -6.320 -8.252 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.994 -8.862 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.453 -8.482 -10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.104 -8.304 -10.630 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.947 -6.512 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.477 -4.876 -10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.500 -6.352 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.920 -6.089 -11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.723 -4.985 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.252 -6.202 -10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.386 -6.540 -8.701 1.00 0.00 H new ATOM 400 N THR A 31 -6.488 -10.929 -9.117 1.00 0.00 N ATOM 401 CA THR A 31 -6.172 -12.308 -9.464 1.00 0.00 C ATOM 402 C THR A 31 -4.887 -12.766 -8.784 1.00 0.00 C ATOM 403 O THR A 31 -4.219 -11.984 -8.107 1.00 0.00 O ATOM 404 CB THR A 31 -6.024 -12.485 -10.987 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.309 -13.839 -11.354 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.619 -12.116 -11.440 1.00 0.00 C ATOM 0 H THR A 31 -5.673 -10.332 -8.978 1.00 0.00 H new ATOM 0 HA THR A 31 -7.003 -12.920 -9.114 1.00 0.00 H new ATOM 0 HB THR A 31 -6.734 -11.820 -11.478 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.475 -14.352 -11.385 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.538 -12.249 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.416 -11.076 -11.186 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.895 -12.759 -10.940 1.00 0.00 H new ATOM 414 N HIS A 32 -4.546 -14.038 -8.968 1.00 0.00 N ATOM 415 CA HIS A 32 -3.339 -14.600 -8.372 1.00 0.00 C ATOM 416 C HIS A 32 -2.159 -13.647 -8.534 1.00 0.00 C ATOM 417 O HIS A 32 -1.420 -13.390 -7.584 1.00 0.00 O ATOM 418 CB HIS A 32 -3.011 -15.950 -9.010 1.00 0.00 C ATOM 419 CG HIS A 32 -2.926 -15.902 -10.504 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.027 -15.724 -11.315 1.00 0.00 N ATOM 421 CD2 HIS A 32 -1.863 -16.008 -11.334 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.645 -15.724 -12.579 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.336 -15.894 -12.619 1.00 0.00 N ATOM 0 H HIS A 32 -5.088 -14.699 -9.525 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.523 -14.745 -7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.062 -16.310 -8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.773 -16.674 -8.721 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.834 -16.155 -11.041 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.293 -15.605 -13.435 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.769 -15.934 -13.466 1.00 0.00 H new ATOM 432 N ASP A 33 -1.987 -13.126 -9.744 1.00 0.00 N ATOM 433 CA ASP A 33 -0.897 -12.201 -10.032 1.00 0.00 C ATOM 434 C ASP A 33 -1.436 -10.819 -10.387 1.00 0.00 C ATOM 435 O ASP A 33 -0.950 -10.172 -11.314 1.00 0.00 O ATOM 436 CB ASP A 33 -0.035 -12.736 -11.176 1.00 0.00 C ATOM 437 CG ASP A 33 -0.842 -13.012 -12.429 1.00 0.00 C ATOM 438 OD1 ASP A 33 -1.695 -12.172 -12.783 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.622 -14.070 -13.056 1.00 0.00 O ATOM 0 H ASP A 33 -2.589 -13.329 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.283 -12.112 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.749 -12.014 -11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.459 -13.653 -10.856 1.00 0.00 H new ATOM 444 N ALA A 34 -2.444 -10.374 -9.644 1.00 0.00 N ATOM 445 CA ALA A 34 -3.049 -9.069 -9.880 1.00 0.00 C ATOM 446 C ALA A 34 -3.654 -8.504 -8.599 1.00 0.00 C ATOM 447 O ALA A 34 -4.401 -9.189 -7.899 1.00 0.00 O ATOM 448 CB ALA A 34 -4.108 -9.166 -10.968 1.00 0.00 C ATOM 0 H ALA A 34 -2.859 -10.898 -8.874 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.265 -8.388 -10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.551 -8.184 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.649 -9.517 -11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.884 -9.867 -10.659 1.00 0.00 H new ATOM 454 N VAL A 35 -3.326 -7.252 -8.297 1.00 0.00 N ATOM 455 CA VAL A 35 -3.838 -6.595 -7.100 1.00 0.00 C ATOM 456 C VAL A 35 -4.160 -5.130 -7.372 1.00 0.00 C ATOM 457 O VAL A 35 -3.265 -4.327 -7.639 1.00 0.00 O ATOM 458 CB VAL A 35 -2.831 -6.682 -5.938 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.102 -5.590 -4.914 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.881 -8.057 -5.290 1.00 0.00 C ATOM 0 H VAL A 35 -2.708 -6.672 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.752 -7.118 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.828 -6.531 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.381 -5.667 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.009 -4.614 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.111 -5.706 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.163 -8.100 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.883 -8.241 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.633 -8.817 -6.030 1.00 0.00 H new ATOM 470 N ARG A 36 -5.442 -4.788 -7.301 1.00 0.00 N ATOM 471 CA ARG A 36 -5.882 -3.419 -7.540 1.00 0.00 C ATOM 472 C ARG A 36 -5.813 -2.594 -6.258 1.00 0.00 C ATOM 473 O ARG A 36 -6.662 -2.726 -5.377 1.00 0.00 O ATOM 474 CB ARG A 36 -7.309 -3.408 -8.090 1.00 0.00 C ATOM 475 CG ARG A 36 -7.944 -2.028 -8.110 1.00 0.00 C ATOM 476 CD ARG A 36 -7.340 -1.152 -9.197 1.00 0.00 C ATOM 477 NE ARG A 36 -8.032 -1.309 -10.474 1.00 0.00 N ATOM 478 CZ ARG A 36 -9.250 -0.836 -10.712 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.907 -0.181 -9.766 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.813 -1.019 -11.900 1.00 0.00 N ATOM 0 H ARG A 36 -6.194 -5.440 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.213 -2.972 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.302 -3.810 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.927 -4.074 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.018 -2.123 -8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.809 -1.550 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.384 -0.108 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.287 -1.404 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.554 -1.809 -11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.477 -0.039 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.842 0.181 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.310 -1.523 -12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.748 -0.656 -12.082 1.00 0.00 H new ATOM 494 N VAL A 37 -4.796 -1.744 -6.162 1.00 0.00 N ATOM 495 CA VAL A 37 -4.617 -0.897 -4.989 1.00 0.00 C ATOM 496 C VAL A 37 -5.313 0.447 -5.169 1.00 0.00 C ATOM 497 O VAL A 37 -4.905 1.263 -5.996 1.00 0.00 O ATOM 498 CB VAL A 37 -3.124 -0.654 -4.695 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.958 0.201 -3.448 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.389 -1.978 -4.545 1.00 0.00 C ATOM 0 H VAL A 37 -4.084 -1.624 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.065 -1.424 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.688 -0.115 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.897 0.362 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.450 1.162 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.408 -0.308 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.336 -1.788 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.824 -2.545 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.480 -2.551 -5.468 1.00 0.00 H new ATOM 510 N SER A 38 -6.366 0.671 -4.390 1.00 0.00 N ATOM 511 CA SER A 38 -7.122 1.916 -4.466 1.00 0.00 C ATOM 512 C SER A 38 -7.120 2.636 -3.121 1.00 0.00 C ATOM 513 O SER A 38 -7.360 2.027 -2.078 1.00 0.00 O ATOM 514 CB SER A 38 -8.561 1.638 -4.906 1.00 0.00 C ATOM 515 OG SER A 38 -9.265 0.910 -3.915 1.00 0.00 O ATOM 0 H SER A 38 -6.715 0.007 -3.699 1.00 0.00 H new ATOM 0 HA SER A 38 -6.642 2.559 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.073 2.580 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.557 1.077 -5.840 1.00 0.00 H new ATOM 0 HG SER A 38 -10.182 0.746 -4.219 1.00 0.00 H new ATOM 521 N TRP A 39 -6.848 3.935 -3.153 1.00 0.00 N ATOM 522 CA TRP A 39 -6.814 4.739 -1.937 1.00 0.00 C ATOM 523 C TRP A 39 -7.668 5.994 -2.090 1.00 0.00 C ATOM 524 O TRP A 39 -8.247 6.236 -3.148 1.00 0.00 O ATOM 525 CB TRP A 39 -5.374 5.126 -1.596 1.00 0.00 C ATOM 526 CG TRP A 39 -4.676 5.854 -2.705 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.502 7.203 -2.817 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.061 5.270 -3.859 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.816 7.494 -3.972 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.533 6.326 -4.628 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.904 3.959 -4.317 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.861 6.108 -5.828 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.237 3.745 -5.508 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.722 4.815 -6.252 1.00 0.00 C ATOM 0 H TRP A 39 -6.648 4.454 -4.008 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.224 4.140 -1.124 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.375 5.753 -0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.811 4.225 -1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.852 7.934 -2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.559 8.429 -4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.297 3.128 -3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.464 6.931 -6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.110 2.736 -5.872 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.205 4.615 -7.179 1.00 0.00 H new ATOM 545 N ALA A 40 -7.740 6.788 -1.027 1.00 0.00 N ATOM 546 CA ALA A 40 -8.521 8.018 -1.044 1.00 0.00 C ATOM 547 C ALA A 40 -7.622 9.241 -0.897 1.00 0.00 C ATOM 548 O ALA A 40 -6.449 9.122 -0.544 1.00 0.00 O ATOM 549 CB ALA A 40 -9.569 7.995 0.059 1.00 0.00 C ATOM 0 H ALA A 40 -7.267 6.601 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.026 8.084 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.144 8.920 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.238 7.148 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.077 7.900 1.027 1.00 0.00 H new ATOM 555 N ASP A 41 -8.180 10.416 -1.170 1.00 0.00 N ATOM 556 CA ASP A 41 -7.428 11.661 -1.067 1.00 0.00 C ATOM 557 C ASP A 41 -8.104 12.625 -0.097 1.00 0.00 C ATOM 558 O ASP A 41 -9.318 12.820 -0.145 1.00 0.00 O ATOM 559 CB ASP A 41 -7.292 12.315 -2.443 1.00 0.00 C ATOM 560 CG ASP A 41 -8.620 12.420 -3.168 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.649 12.028 -2.580 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.630 12.894 -4.323 1.00 0.00 O ATOM 0 H ASP A 41 -9.150 10.532 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.434 11.426 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.864 13.311 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.595 11.737 -3.050 1.00 0.00 H new ATOM 567 N ASN A 42 -7.309 13.225 0.784 1.00 0.00 N ATOM 568 CA ASN A 42 -7.831 14.167 1.767 1.00 0.00 C ATOM 569 C ASN A 42 -7.024 15.462 1.761 1.00 0.00 C ATOM 570 O ASN A 42 -7.582 16.553 1.644 1.00 0.00 O ATOM 571 CB ASN A 42 -7.807 13.545 3.164 1.00 0.00 C ATOM 572 CG ASN A 42 -9.018 12.671 3.429 1.00 0.00 C ATOM 573 OD1 ASN A 42 -9.841 12.447 2.541 1.00 0.00 O ATOM 574 ND2 ASN A 42 -9.132 12.173 4.655 1.00 0.00 N ATOM 0 H ASN A 42 -6.301 13.075 0.837 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.861 14.400 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.901 12.950 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.764 14.338 3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.926 11.578 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.426 12.385 5.359 1.00 0.00 H new ATOM 581 N SER A 43 -5.707 15.333 1.887 1.00 0.00 N ATOM 582 CA SER A 43 -4.823 16.492 1.899 1.00 0.00 C ATOM 583 C SER A 43 -5.330 17.572 0.948 1.00 0.00 C ATOM 584 O SER A 43 -5.127 18.764 1.179 1.00 0.00 O ATOM 585 CB SER A 43 -3.402 16.080 1.510 1.00 0.00 C ATOM 586 OG SER A 43 -3.319 15.778 0.129 1.00 0.00 O ATOM 0 H SER A 43 -5.229 14.437 1.982 1.00 0.00 H new ATOM 0 HA SER A 43 -4.812 16.899 2.910 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.708 16.885 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.099 15.211 2.094 1.00 0.00 H new ATOM 0 HG SER A 43 -2.401 15.519 -0.095 1.00 0.00 H new ATOM 592 N VAL A 44 -5.991 17.146 -0.123 1.00 0.00 N ATOM 593 CA VAL A 44 -6.529 18.075 -1.109 1.00 0.00 C ATOM 594 C VAL A 44 -7.709 18.857 -0.542 1.00 0.00 C ATOM 595 O VAL A 44 -8.647 18.292 0.020 1.00 0.00 O ATOM 596 CB VAL A 44 -6.981 17.339 -2.385 1.00 0.00 C ATOM 597 CG1 VAL A 44 -8.143 16.407 -2.081 1.00 0.00 C ATOM 598 CG2 VAL A 44 -7.357 18.337 -3.470 1.00 0.00 C ATOM 0 H VAL A 44 -6.167 16.163 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.726 18.768 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.149 16.736 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.448 15.896 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.834 15.671 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.981 16.985 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.674 17.800 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.173 18.968 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.494 18.959 -3.707 1.00 0.00 H new ATOM 608 N PRO A 45 -7.662 20.189 -0.692 1.00 0.00 N ATOM 609 CA PRO A 45 -8.720 21.078 -0.203 1.00 0.00 C ATOM 610 C PRO A 45 -10.012 20.935 -0.999 1.00 0.00 C ATOM 611 O PRO A 45 -10.019 20.380 -2.098 1.00 0.00 O ATOM 612 CB PRO A 45 -8.126 22.475 -0.394 1.00 0.00 C ATOM 613 CG PRO A 45 -7.134 22.318 -1.495 1.00 0.00 C ATOM 614 CD PRO A 45 -6.574 20.930 -1.352 1.00 0.00 C ATOM 0 HA PRO A 45 -8.996 20.854 0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.896 23.200 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.650 22.831 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.607 22.450 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.345 23.067 -1.420 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.322 20.497 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.663 20.924 -0.753 1.00 0.00 H new ATOM 622 N LYS A 46 -11.106 21.439 -0.438 1.00 0.00 N ATOM 623 CA LYS A 46 -12.406 21.369 -1.096 1.00 0.00 C ATOM 624 C LYS A 46 -12.303 21.816 -2.551 1.00 0.00 C ATOM 625 O LYS A 46 -12.894 21.204 -3.440 1.00 0.00 O ATOM 626 CB LYS A 46 -13.423 22.240 -0.355 1.00 0.00 C ATOM 627 CG LYS A 46 -13.022 23.702 -0.267 1.00 0.00 C ATOM 628 CD LYS A 46 -13.832 24.440 0.786 1.00 0.00 C ATOM 629 CE LYS A 46 -13.600 25.942 0.717 1.00 0.00 C ATOM 630 NZ LYS A 46 -14.510 26.599 -0.260 1.00 0.00 N ATOM 0 H LYS A 46 -11.118 21.901 0.471 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.741 20.332 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.387 22.166 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.559 21.848 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.961 23.775 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.165 24.178 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.892 24.228 0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.562 24.074 1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.751 26.379 1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.565 26.137 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.321 27.621 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.349 26.201 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.498 26.435 0.021 1.00 0.00 H new ATOM 644 N ASN A 47 -11.549 22.885 -2.786 1.00 0.00 N ATOM 645 CA ASN A 47 -11.369 23.412 -4.134 1.00 0.00 C ATOM 646 C ASN A 47 -9.890 23.636 -4.437 1.00 0.00 C ATOM 647 O ASN A 47 -9.171 24.247 -3.647 1.00 0.00 O ATOM 648 CB ASN A 47 -12.139 24.723 -4.298 1.00 0.00 C ATOM 649 CG ASN A 47 -12.259 25.146 -5.750 1.00 0.00 C ATOM 650 OD1 ASN A 47 -12.756 24.393 -6.588 1.00 0.00 O ATOM 651 ND2 ASN A 47 -11.802 26.355 -6.054 1.00 0.00 N ATOM 0 H ASN A 47 -11.053 23.403 -2.061 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.759 22.679 -4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.136 24.611 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.637 25.509 -3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.855 26.694 -7.015 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.398 26.945 -5.327 1.00 0.00 H new ATOM 658 N GLN A 48 -9.445 23.138 -5.586 1.00 0.00 N ATOM 659 CA GLN A 48 -8.053 23.284 -5.993 1.00 0.00 C ATOM 660 C GLN A 48 -7.888 24.454 -6.958 1.00 0.00 C ATOM 661 O GLN A 48 -7.390 24.288 -8.072 1.00 0.00 O ATOM 662 CB GLN A 48 -7.552 21.995 -6.645 1.00 0.00 C ATOM 663 CG GLN A 48 -7.322 20.863 -5.657 1.00 0.00 C ATOM 664 CD GLN A 48 -7.446 19.494 -6.297 1.00 0.00 C ATOM 665 OE1 GLN A 48 -6.445 18.840 -6.590 1.00 0.00 O ATOM 666 NE2 GLN A 48 -8.679 19.054 -6.518 1.00 0.00 N ATOM 0 H GLN A 48 -10.028 22.630 -6.251 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.459 23.486 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.275 21.671 -7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.620 22.202 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.330 20.966 -5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.041 20.945 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.480 19.630 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.825 18.140 -6.947 1.00 0.00 H new ATOM 675 N LYS A 49 -8.309 25.637 -6.524 1.00 0.00 N ATOM 676 CA LYS A 49 -8.207 26.835 -7.348 1.00 0.00 C ATOM 677 C LYS A 49 -6.778 27.036 -7.842 1.00 0.00 C ATOM 678 O LYS A 49 -6.541 27.757 -8.812 1.00 0.00 O ATOM 679 CB LYS A 49 -8.662 28.063 -6.557 1.00 0.00 C ATOM 680 CG LYS A 49 -7.580 28.649 -5.667 1.00 0.00 C ATOM 681 CD LYS A 49 -7.454 27.880 -4.362 1.00 0.00 C ATOM 682 CE LYS A 49 -8.614 28.181 -3.425 1.00 0.00 C ATOM 683 NZ LYS A 49 -8.460 27.491 -2.114 1.00 0.00 N ATOM 0 H LYS A 49 -8.724 25.792 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.857 26.707 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.001 28.829 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.519 27.791 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.626 28.632 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.809 29.693 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.421 26.811 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.514 28.139 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.681 29.257 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.548 27.870 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.270 27.721 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.421 26.463 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.581 27.807 -1.657 1.00 0.00 H new ATOM 697 N THR A 50 -5.828 26.393 -7.170 1.00 0.00 N ATOM 698 CA THR A 50 -4.423 26.501 -7.541 1.00 0.00 C ATOM 699 C THR A 50 -4.035 25.422 -8.546 1.00 0.00 C ATOM 700 O THR A 50 -4.615 24.336 -8.560 1.00 0.00 O ATOM 701 CB THR A 50 -3.507 26.393 -6.308 1.00 0.00 C ATOM 702 OG1 THR A 50 -3.472 25.039 -5.841 1.00 0.00 O ATOM 703 CG2 THR A 50 -3.990 27.307 -5.192 1.00 0.00 C ATOM 0 H THR A 50 -6.007 25.792 -6.366 1.00 0.00 H new ATOM 0 HA THR A 50 -4.291 27.482 -7.997 1.00 0.00 H new ATOM 0 HB THR A 50 -2.504 26.703 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.543 24.771 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.327 27.213 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.988 28.340 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.002 27.024 -4.902 1.00 0.00 H new ATOM 711 N SER A 51 -3.050 25.728 -9.384 1.00 0.00 N ATOM 712 CA SER A 51 -2.586 24.784 -10.395 1.00 0.00 C ATOM 713 C SER A 51 -1.225 24.208 -10.016 1.00 0.00 C ATOM 714 O SER A 51 -0.189 24.673 -10.489 1.00 0.00 O ATOM 715 CB SER A 51 -2.501 25.468 -11.761 1.00 0.00 C ATOM 716 OG SER A 51 -2.576 24.519 -12.811 1.00 0.00 O ATOM 0 H SER A 51 -2.558 26.621 -9.383 1.00 0.00 H new ATOM 0 HA SER A 51 -3.305 23.966 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.311 26.190 -11.861 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.567 26.024 -11.835 1.00 0.00 H new ATOM 0 HG SER A 51 -2.521 24.981 -13.674 1.00 0.00 H new ATOM 722 N GLU A 52 -1.237 23.192 -9.159 1.00 0.00 N ATOM 723 CA GLU A 52 -0.004 22.552 -8.715 1.00 0.00 C ATOM 724 C GLU A 52 0.057 21.103 -9.188 1.00 0.00 C ATOM 725 O GLU A 52 -0.859 20.318 -8.941 1.00 0.00 O ATOM 726 CB GLU A 52 0.106 22.608 -7.190 1.00 0.00 C ATOM 727 CG GLU A 52 0.771 23.873 -6.674 1.00 0.00 C ATOM 728 CD GLU A 52 -0.103 25.101 -6.837 1.00 0.00 C ATOM 729 OE1 GLU A 52 -0.132 25.666 -7.951 1.00 0.00 O ATOM 730 OE2 GLU A 52 -0.759 25.497 -5.851 1.00 0.00 O ATOM 0 H GLU A 52 -2.087 22.794 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 52 0.834 23.094 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.892 22.531 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.671 21.743 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.018 23.745 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.710 24.027 -7.205 1.00 0.00 H new ATOM 737 N VAL A 53 1.144 20.754 -9.869 1.00 0.00 N ATOM 738 CA VAL A 53 1.327 19.400 -10.376 1.00 0.00 C ATOM 739 C VAL A 53 1.822 18.464 -9.279 1.00 0.00 C ATOM 740 O VAL A 53 2.653 18.843 -8.454 1.00 0.00 O ATOM 741 CB VAL A 53 2.324 19.369 -11.550 1.00 0.00 C ATOM 742 CG1 VAL A 53 2.286 18.019 -12.249 1.00 0.00 C ATOM 743 CG2 VAL A 53 2.028 20.495 -12.529 1.00 0.00 C ATOM 0 H VAL A 53 1.911 21.391 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 53 0.353 19.060 -10.728 1.00 0.00 H new ATOM 0 HB VAL A 53 3.329 19.517 -11.154 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.997 18.017 -13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.551 17.235 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.283 17.836 -12.633 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.742 20.458 -13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.017 20.381 -12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.113 21.454 -12.017 1.00 0.00 H new ATOM 753 N ARG A 54 1.306 17.239 -9.276 1.00 0.00 N ATOM 754 CA ARG A 54 1.695 16.249 -8.279 1.00 0.00 C ATOM 755 C ARG A 54 1.651 14.841 -8.866 1.00 0.00 C ATOM 756 O ARG A 54 0.848 14.551 -9.753 1.00 0.00 O ATOM 757 CB ARG A 54 0.776 16.333 -7.059 1.00 0.00 C ATOM 758 CG ARG A 54 -0.694 16.485 -7.414 1.00 0.00 C ATOM 759 CD ARG A 54 -1.307 15.157 -7.830 1.00 0.00 C ATOM 760 NE ARG A 54 -2.742 15.109 -7.565 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.644 15.768 -8.284 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.261 16.520 -9.307 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.933 15.675 -7.981 1.00 0.00 N ATOM 0 H ARG A 54 0.618 16.909 -9.953 1.00 0.00 H new ATOM 0 HA ARG A 54 2.718 16.464 -7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.904 15.435 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.081 17.178 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.237 16.885 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.801 17.206 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.129 14.993 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.812 14.346 -7.295 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.070 14.539 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.272 16.594 -9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.956 17.025 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.232 15.097 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.625 16.181 -8.534 1.00 0.00 H new ATOM 777 N LEU A 55 2.520 13.970 -8.365 1.00 0.00 N ATOM 778 CA LEU A 55 2.581 12.592 -8.840 1.00 0.00 C ATOM 779 C LEU A 55 2.450 11.610 -7.680 1.00 0.00 C ATOM 780 O LEU A 55 3.012 11.824 -6.605 1.00 0.00 O ATOM 781 CB LEU A 55 3.895 12.346 -9.585 1.00 0.00 C ATOM 782 CG LEU A 55 4.217 10.888 -9.913 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.644 10.506 -11.269 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.721 10.655 -9.884 1.00 0.00 C ATOM 0 H LEU A 55 3.192 14.193 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 55 1.747 12.432 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.872 12.911 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.711 12.752 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 55 3.756 10.255 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.883 9.465 -11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.562 10.634 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.076 11.145 -12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.932 9.612 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.203 11.298 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.106 10.888 -8.891 1.00 0.00 H new ATOM 796 N TYR A 56 1.708 10.532 -7.905 1.00 0.00 N ATOM 797 CA TYR A 56 1.503 9.517 -6.878 1.00 0.00 C ATOM 798 C TYR A 56 2.260 8.237 -7.219 1.00 0.00 C ATOM 799 O TYR A 56 2.191 7.741 -8.344 1.00 0.00 O ATOM 800 CB TYR A 56 0.012 9.214 -6.721 1.00 0.00 C ATOM 801 CG TYR A 56 -0.725 10.226 -5.873 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.540 11.590 -6.066 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.606 9.819 -4.879 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.211 12.518 -5.293 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.282 10.740 -4.102 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.081 12.088 -4.313 1.00 0.00 C ATOM 807 OH TYR A 56 -2.751 13.009 -3.541 1.00 0.00 O ATOM 0 H TYR A 56 1.238 10.338 -8.789 1.00 0.00 H new ATOM 0 HA TYR A 56 1.889 9.906 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.448 9.175 -7.708 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.105 8.226 -6.276 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.140 11.930 -6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.765 8.764 -4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.055 13.574 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.964 10.406 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.325 12.542 -2.899 1.00 0.00 H new ATOM 817 N THR A 57 2.982 7.705 -6.238 1.00 0.00 N ATOM 818 CA THR A 57 3.753 6.484 -6.432 1.00 0.00 C ATOM 819 C THR A 57 3.171 5.332 -5.621 1.00 0.00 C ATOM 820 O THR A 57 2.524 5.546 -4.596 1.00 0.00 O ATOM 821 CB THR A 57 5.228 6.682 -6.036 1.00 0.00 C ATOM 822 OG1 THR A 57 5.686 7.965 -6.476 1.00 0.00 O ATOM 823 CG2 THR A 57 6.101 5.592 -6.639 1.00 0.00 C ATOM 0 H THR A 57 3.049 8.101 -5.300 1.00 0.00 H new ATOM 0 HA THR A 57 3.699 6.241 -7.493 1.00 0.00 H new ATOM 0 HB THR A 57 5.300 6.624 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.054 8.460 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.138 5.753 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.769 4.619 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.022 5.623 -7.726 1.00 0.00 H new ATOM 831 N VAL A 58 3.406 4.109 -6.085 1.00 0.00 N ATOM 832 CA VAL A 58 2.906 2.922 -5.401 1.00 0.00 C ATOM 833 C VAL A 58 3.977 1.839 -5.326 1.00 0.00 C ATOM 834 O VAL A 58 4.518 1.414 -6.347 1.00 0.00 O ATOM 835 CB VAL A 58 1.663 2.350 -6.107 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.180 1.091 -5.401 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.557 3.393 -6.167 1.00 0.00 C ATOM 0 H VAL A 58 3.940 3.914 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 58 2.633 3.230 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 58 1.937 2.084 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.301 0.701 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.970 0.341 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.922 1.329 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.314 2.971 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.283 3.692 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.908 4.264 -6.720 1.00 0.00 H new ATOM 847 N ARG A 59 4.279 1.397 -4.109 1.00 0.00 N ATOM 848 CA ARG A 59 5.287 0.365 -3.900 1.00 0.00 C ATOM 849 C ARG A 59 4.691 -0.836 -3.169 1.00 0.00 C ATOM 850 O ARG A 59 3.584 -0.763 -2.636 1.00 0.00 O ATOM 851 CB ARG A 59 6.466 0.926 -3.103 1.00 0.00 C ATOM 852 CG ARG A 59 6.213 0.993 -1.606 1.00 0.00 C ATOM 853 CD ARG A 59 7.054 2.074 -0.947 1.00 0.00 C ATOM 854 NE ARG A 59 8.342 1.562 -0.487 1.00 0.00 N ATOM 855 CZ ARG A 59 8.506 0.902 0.654 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.468 0.675 1.447 1.00 0.00 N ATOM 857 NH2 ARG A 59 9.710 0.466 1.003 1.00 0.00 N ATOM 0 H ARG A 59 3.840 1.738 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 59 5.642 0.036 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.345 0.308 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.698 1.926 -3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.157 1.190 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.440 0.028 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.219 2.887 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.508 2.493 -0.102 1.00 0.00 H new ATOM 0 HE ARG A 59 9.161 1.720 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.541 1.007 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.596 0.168 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.511 0.638 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.835 -0.041 1.879 1.00 0.00 H new ATOM 871 N TRP A 60 5.432 -1.937 -3.151 1.00 0.00 N ATOM 872 CA TRP A 60 4.977 -3.153 -2.486 1.00 0.00 C ATOM 873 C TRP A 60 6.116 -4.157 -2.348 1.00 0.00 C ATOM 874 O TRP A 60 6.933 -4.312 -3.256 1.00 0.00 O ATOM 875 CB TRP A 60 3.819 -3.781 -3.264 1.00 0.00 C ATOM 876 CG TRP A 60 4.168 -4.113 -4.683 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.592 -5.319 -5.163 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.125 -3.226 -5.806 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.815 -5.236 -6.516 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.535 -3.962 -6.935 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.778 -1.882 -5.969 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.607 -3.397 -8.206 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.851 -1.323 -7.230 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.262 -2.080 -8.335 1.00 0.00 C ATOM 0 H TRP A 60 6.350 -2.014 -3.589 1.00 0.00 H new ATOM 0 HA TRP A 60 4.632 -2.884 -1.488 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.498 -4.689 -2.754 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.972 -3.095 -3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.732 -6.208 -4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.137 -5.999 -7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.458 -1.291 -5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.924 -3.978 -9.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.587 -0.285 -7.366 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.307 -1.614 -9.308 1.00 0.00 H new ATOM 895 N ARG A 61 6.165 -4.836 -1.206 1.00 0.00 N ATOM 896 CA ARG A 61 7.206 -5.825 -0.950 1.00 0.00 C ATOM 897 C ARG A 61 6.623 -7.067 -0.282 1.00 0.00 C ATOM 898 O ARG A 61 5.689 -6.977 0.515 1.00 0.00 O ATOM 899 CB ARG A 61 8.302 -5.225 -0.067 1.00 0.00 C ATOM 900 CG ARG A 61 9.499 -6.142 0.125 1.00 0.00 C ATOM 901 CD ARG A 61 10.091 -6.001 1.518 1.00 0.00 C ATOM 902 NE ARG A 61 9.563 -7.002 2.442 1.00 0.00 N ATOM 903 CZ ARG A 61 10.085 -8.215 2.587 1.00 0.00 C ATOM 904 NH1 ARG A 61 11.143 -8.575 1.875 1.00 0.00 N ATOM 905 NH2 ARG A 61 9.548 -9.070 3.448 1.00 0.00 N ATOM 0 H ARG A 61 5.497 -4.720 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 61 7.639 -6.117 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.640 -4.288 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.880 -4.984 0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.197 -7.176 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.260 -5.910 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.175 -6.096 1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.878 -5.004 1.903 1.00 0.00 H new ATOM 0 HE ARG A 61 8.750 -6.756 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.559 -7.920 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.541 -9.507 1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.734 -8.796 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.949 -10.001 3.559 1.00 0.00 H new ATOM 919 N THR A 62 7.180 -8.227 -0.613 1.00 0.00 N ATOM 920 CA THR A 62 6.716 -9.488 -0.048 1.00 0.00 C ATOM 921 C THR A 62 6.560 -9.387 1.465 1.00 0.00 C ATOM 922 O THR A 62 7.440 -8.876 2.157 1.00 0.00 O ATOM 923 CB THR A 62 7.681 -10.641 -0.378 1.00 0.00 C ATOM 924 OG1 THR A 62 9.026 -10.153 -0.439 1.00 0.00 O ATOM 925 CG2 THR A 62 7.313 -11.294 -1.701 1.00 0.00 C ATOM 0 H THR A 62 7.954 -8.320 -1.271 1.00 0.00 H new ATOM 0 HA THR A 62 5.746 -9.698 -0.498 1.00 0.00 H new ATOM 0 HB THR A 62 7.602 -11.388 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.186 -9.539 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.009 -12.106 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.300 -11.691 -1.641 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.366 -10.554 -2.499 1.00 0.00 H new ATOM 933 N SER A 63 5.435 -9.879 1.973 1.00 0.00 N ATOM 934 CA SER A 63 5.162 -9.842 3.406 1.00 0.00 C ATOM 935 C SER A 63 5.689 -11.098 4.092 1.00 0.00 C ATOM 936 O SER A 63 5.431 -12.217 3.648 1.00 0.00 O ATOM 937 CB SER A 63 3.660 -9.702 3.657 1.00 0.00 C ATOM 938 OG SER A 63 3.242 -8.355 3.514 1.00 0.00 O ATOM 0 H SER A 63 4.697 -10.308 1.414 1.00 0.00 H new ATOM 0 HA SER A 63 5.675 -8.977 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.111 -10.333 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.421 -10.056 4.660 1.00 0.00 H new ATOM 0 HG SER A 63 2.264 -8.310 3.551 1.00 0.00 H new ATOM 944 N PHE A 64 6.431 -10.905 5.178 1.00 0.00 N ATOM 945 CA PHE A 64 6.996 -12.022 5.926 1.00 0.00 C ATOM 946 C PHE A 64 8.059 -12.744 5.104 1.00 0.00 C ATOM 947 O PHE A 64 8.216 -13.961 5.205 1.00 0.00 O ATOM 948 CB PHE A 64 5.894 -13.003 6.330 1.00 0.00 C ATOM 949 CG PHE A 64 4.686 -12.336 6.923 1.00 0.00 C ATOM 950 CD1 PHE A 64 4.815 -11.455 7.985 1.00 0.00 C ATOM 951 CD2 PHE A 64 3.420 -12.589 6.419 1.00 0.00 C ATOM 952 CE1 PHE A 64 3.705 -10.841 8.533 1.00 0.00 C ATOM 953 CE2 PHE A 64 2.306 -11.977 6.962 1.00 0.00 C ATOM 954 CZ PHE A 64 2.449 -11.101 8.020 1.00 0.00 C ATOM 0 H PHE A 64 6.655 -9.986 5.559 1.00 0.00 H new ATOM 0 HA PHE A 64 7.465 -11.624 6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.590 -13.576 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.298 -13.714 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.795 -11.246 8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.302 -13.273 5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.819 -10.158 9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.325 -12.184 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.581 -10.620 8.445 1.00 0.00 H new ATOM 964 N SER A 65 8.786 -11.986 4.290 1.00 0.00 N ATOM 965 CA SER A 65 9.832 -12.553 3.447 1.00 0.00 C ATOM 966 C SER A 65 11.168 -11.860 3.697 1.00 0.00 C ATOM 967 O SER A 65 11.284 -11.015 4.584 1.00 0.00 O ATOM 968 CB SER A 65 9.449 -12.430 1.971 1.00 0.00 C ATOM 969 OG SER A 65 8.473 -13.395 1.615 1.00 0.00 O ATOM 0 H SER A 65 8.670 -10.977 4.196 1.00 0.00 H new ATOM 0 HA SER A 65 9.937 -13.608 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.064 -11.429 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.336 -12.559 1.350 1.00 0.00 H new ATOM 0 HG SER A 65 8.360 -13.403 0.642 1.00 0.00 H new ATOM 975 N ALA A 66 12.173 -12.224 2.908 1.00 0.00 N ATOM 976 CA ALA A 66 13.501 -11.637 3.041 1.00 0.00 C ATOM 977 C ALA A 66 14.186 -11.515 1.685 1.00 0.00 C ATOM 978 O ALA A 66 13.797 -12.175 0.721 1.00 0.00 O ATOM 979 CB ALA A 66 14.351 -12.465 3.992 1.00 0.00 C ATOM 0 H ALA A 66 12.093 -12.923 2.169 1.00 0.00 H new ATOM 0 HA ALA A 66 13.388 -10.634 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.340 -12.015 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.876 -12.495 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.448 -13.479 3.604 1.00 0.00 H new ATOM 985 N SER A 67 15.208 -10.668 1.617 1.00 0.00 N ATOM 986 CA SER A 67 15.944 -10.457 0.376 1.00 0.00 C ATOM 987 C SER A 67 14.995 -10.114 -0.768 1.00 0.00 C ATOM 988 O SER A 67 15.157 -10.594 -1.889 1.00 0.00 O ATOM 989 CB SER A 67 16.758 -11.703 0.023 1.00 0.00 C ATOM 990 OG SER A 67 17.805 -11.911 0.955 1.00 0.00 O ATOM 0 H SER A 67 15.545 -10.117 2.406 1.00 0.00 H new ATOM 0 HA SER A 67 16.624 -9.618 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.104 -12.575 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.175 -11.597 -0.979 1.00 0.00 H new ATOM 0 HG SER A 67 18.309 -12.714 0.707 1.00 0.00 H new ATOM 996 N ALA A 68 14.004 -9.278 -0.475 1.00 0.00 N ATOM 997 CA ALA A 68 13.029 -8.869 -1.479 1.00 0.00 C ATOM 998 C ALA A 68 13.269 -7.429 -1.922 1.00 0.00 C ATOM 999 O ALA A 68 13.710 -6.592 -1.135 1.00 0.00 O ATOM 1000 CB ALA A 68 11.616 -9.027 -0.938 1.00 0.00 C ATOM 0 H ALA A 68 13.855 -8.871 0.448 1.00 0.00 H new ATOM 0 HA ALA A 68 13.148 -9.515 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.899 -8.718 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.441 -10.071 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.495 -8.406 -0.051 1.00 0.00 H new ATOM 1006 N LYS A 69 12.977 -7.148 -3.187 1.00 0.00 N ATOM 1007 CA LYS A 69 13.161 -5.810 -3.736 1.00 0.00 C ATOM 1008 C LYS A 69 11.862 -5.013 -3.672 1.00 0.00 C ATOM 1009 O LYS A 69 10.781 -5.547 -3.922 1.00 0.00 O ATOM 1010 CB LYS A 69 13.650 -5.893 -5.184 1.00 0.00 C ATOM 1011 CG LYS A 69 15.074 -6.404 -5.316 1.00 0.00 C ATOM 1012 CD LYS A 69 16.085 -5.352 -4.892 1.00 0.00 C ATOM 1013 CE LYS A 69 17.491 -5.717 -5.343 1.00 0.00 C ATOM 1014 NZ LYS A 69 17.670 -5.526 -6.810 1.00 0.00 N ATOM 0 H LYS A 69 12.612 -7.830 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 69 13.912 -5.297 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.984 -6.548 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.584 -4.904 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.199 -7.298 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.263 -6.696 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.806 -4.386 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.066 -5.244 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.215 -5.105 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.697 -6.755 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.682 -5.570 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.163 -6.276 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.290 -4.599 -7.088 1.00 0.00 H new ATOM 1028 N TYR A 70 11.975 -3.732 -3.337 1.00 0.00 N ATOM 1029 CA TYR A 70 10.809 -2.862 -3.240 1.00 0.00 C ATOM 1030 C TYR A 70 10.466 -2.257 -4.597 1.00 0.00 C ATOM 1031 O TYR A 70 11.181 -1.392 -5.104 1.00 0.00 O ATOM 1032 CB TYR A 70 11.062 -1.748 -2.222 1.00 0.00 C ATOM 1033 CG TYR A 70 10.551 -2.069 -0.835 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.358 -2.720 0.090 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.263 -1.719 -0.450 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.895 -3.015 1.358 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.792 -2.009 0.816 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.612 -2.657 1.717 1.00 0.00 C ATOM 1039 OH TYR A 70 9.148 -2.948 2.979 1.00 0.00 O ATOM 0 H TYR A 70 12.862 -3.274 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 70 9.964 -3.465 -2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.133 -1.551 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.587 -0.832 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.364 -3.000 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.619 -1.211 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.534 -3.523 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.788 -1.730 1.099 1.00 0.00 H new ATOM 0 HH TYR A 70 8.226 -2.628 3.071 1.00 0.00 H new ATOM 1049 N LYS A 71 9.365 -2.718 -5.182 1.00 0.00 N ATOM 1050 CA LYS A 71 8.923 -2.223 -6.480 1.00 0.00 C ATOM 1051 C LYS A 71 8.205 -0.884 -6.336 1.00 0.00 C ATOM 1052 O LYS A 71 7.701 -0.552 -5.264 1.00 0.00 O ATOM 1053 CB LYS A 71 7.996 -3.241 -7.148 1.00 0.00 C ATOM 1054 CG LYS A 71 8.072 -3.228 -8.665 1.00 0.00 C ATOM 1055 CD LYS A 71 7.802 -4.605 -9.249 1.00 0.00 C ATOM 1056 CE LYS A 71 8.378 -4.739 -10.650 1.00 0.00 C ATOM 1057 NZ LYS A 71 9.846 -4.988 -10.624 1.00 0.00 N ATOM 0 H LYS A 71 8.762 -3.434 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 71 9.804 -2.078 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.247 -4.239 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.969 -3.041 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.348 -2.516 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.059 -2.886 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.236 -5.367 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.727 -4.785 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.880 -5.557 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.174 -3.830 -11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.201 -5.073 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.324 -4.196 -10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.040 -5.869 -10.107 1.00 0.00 H new ATOM 1071 N SER A 72 8.163 -0.121 -7.424 1.00 0.00 N ATOM 1072 CA SER A 72 7.509 1.182 -7.417 1.00 0.00 C ATOM 1073 C SER A 72 7.076 1.580 -8.826 1.00 0.00 C ATOM 1074 O SER A 72 7.710 1.201 -9.810 1.00 0.00 O ATOM 1075 CB SER A 72 8.447 2.245 -6.841 1.00 0.00 C ATOM 1076 OG SER A 72 8.193 3.515 -7.415 1.00 0.00 O ATOM 0 H SER A 72 8.574 -0.383 -8.320 1.00 0.00 H new ATOM 0 HA SER A 72 6.621 1.112 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.320 2.299 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.483 1.959 -7.026 1.00 0.00 H new ATOM 0 HG SER A 72 8.804 4.177 -7.029 1.00 0.00 H new ATOM 1082 N GLU A 73 5.993 2.346 -8.911 1.00 0.00 N ATOM 1083 CA GLU A 73 5.475 2.794 -10.199 1.00 0.00 C ATOM 1084 C GLU A 73 4.847 4.180 -10.080 1.00 0.00 C ATOM 1085 O GLU A 73 4.147 4.474 -9.110 1.00 0.00 O ATOM 1086 CB GLU A 73 4.444 1.798 -10.733 1.00 0.00 C ATOM 1087 CG GLU A 73 5.032 0.757 -11.671 1.00 0.00 C ATOM 1088 CD GLU A 73 5.504 1.354 -12.983 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.818 2.562 -13.007 1.00 0.00 O ATOM 1090 OE2 GLU A 73 5.560 0.611 -13.985 1.00 0.00 O ATOM 0 H GLU A 73 5.458 2.669 -8.105 1.00 0.00 H new ATOM 0 HA GLU A 73 6.309 2.851 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.971 1.291 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.660 2.345 -11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.869 0.262 -11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.283 -0.009 -11.873 1.00 0.00 H new ATOM 1097 N ASP A 74 5.102 5.025 -11.071 1.00 0.00 N ATOM 1098 CA ASP A 74 4.561 6.380 -11.079 1.00 0.00 C ATOM 1099 C ASP A 74 3.226 6.428 -11.814 1.00 0.00 C ATOM 1100 O ASP A 74 3.152 6.145 -13.011 1.00 0.00 O ATOM 1101 CB ASP A 74 5.552 7.344 -11.734 1.00 0.00 C ATOM 1102 CG ASP A 74 5.673 7.124 -13.229 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.515 5.967 -13.673 1.00 0.00 O ATOM 1104 OD2 ASP A 74 5.924 8.108 -13.955 1.00 0.00 O ATOM 0 H ASP A 74 5.680 4.797 -11.880 1.00 0.00 H new ATOM 0 HA ASP A 74 4.398 6.685 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.235 8.370 -11.545 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.532 7.223 -11.272 1.00 0.00 H new ATOM 1109 N THR A 75 2.170 6.786 -11.090 1.00 0.00 N ATOM 1110 CA THR A 75 0.836 6.868 -11.673 1.00 0.00 C ATOM 1111 C THR A 75 0.139 8.162 -11.268 1.00 0.00 C ATOM 1112 O THR A 75 0.323 8.658 -10.156 1.00 0.00 O ATOM 1113 CB THR A 75 -0.037 5.673 -11.247 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.208 5.605 -12.069 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.443 5.792 -9.786 1.00 0.00 C ATOM 0 H THR A 75 2.213 7.024 -10.099 1.00 0.00 H new ATOM 0 HA THR A 75 0.961 6.849 -12.756 1.00 0.00 H new ATOM 0 HB THR A 75 0.548 4.762 -11.371 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.006 5.720 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.059 4.937 -9.509 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.450 5.814 -9.161 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.011 6.711 -9.640 1.00 0.00 H new ATOM 1123 N THR A 76 -0.665 8.705 -12.177 1.00 0.00 N ATOM 1124 CA THR A 76 -1.390 9.942 -11.915 1.00 0.00 C ATOM 1125 C THR A 76 -2.820 9.657 -11.471 1.00 0.00 C ATOM 1126 O THR A 76 -3.639 10.569 -11.358 1.00 0.00 O ATOM 1127 CB THR A 76 -1.422 10.849 -13.160 1.00 0.00 C ATOM 1128 OG1 THR A 76 -2.092 10.181 -14.235 1.00 0.00 O ATOM 1129 CG2 THR A 76 -0.013 11.227 -13.590 1.00 0.00 C ATOM 0 H THR A 76 -0.830 8.307 -13.102 1.00 0.00 H new ATOM 0 HA THR A 76 -0.859 10.456 -11.114 1.00 0.00 H new ATOM 0 HB THR A 76 -1.963 11.760 -12.905 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.110 10.764 -15.022 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.061 11.867 -14.471 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.484 11.761 -12.780 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.549 10.324 -13.828 1.00 0.00 H new ATOM 1137 N SER A 77 -3.115 8.385 -11.219 1.00 0.00 N ATOM 1138 CA SER A 77 -4.448 7.980 -10.790 1.00 0.00 C ATOM 1139 C SER A 77 -4.445 7.572 -9.320 1.00 0.00 C ATOM 1140 O SER A 77 -3.387 7.391 -8.716 1.00 0.00 O ATOM 1141 CB SER A 77 -4.954 6.822 -11.652 1.00 0.00 C ATOM 1142 OG SER A 77 -3.906 5.919 -11.959 1.00 0.00 O ATOM 0 H SER A 77 -2.448 7.618 -11.305 1.00 0.00 H new ATOM 0 HA SER A 77 -5.117 8.832 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.750 6.295 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.384 7.212 -12.574 1.00 0.00 H new ATOM 0 HG SER A 77 -4.025 5.093 -11.445 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.636 7.428 -8.750 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.773 7.041 -7.350 1.00 0.00 C ATOM 1150 C LEU A 78 -5.903 5.527 -7.214 1.00 0.00 C ATOM 1151 O LEU A 78 -6.380 5.024 -6.197 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.990 7.727 -6.727 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.854 9.227 -6.465 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.212 9.842 -6.165 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.886 9.482 -5.318 1.00 0.00 C ATOM 0 H LEU A 78 -6.521 7.573 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.875 7.359 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.846 7.569 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.217 7.233 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.455 9.699 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.095 10.910 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.876 9.691 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.640 9.367 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.801 10.555 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.256 8.997 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.906 9.077 -5.572 1.00 0.00 H new ATOM 1167 N SER A 79 -5.473 4.807 -8.245 1.00 0.00 N ATOM 1168 CA SER A 79 -5.543 3.350 -8.241 1.00 0.00 C ATOM 1169 C SER A 79 -4.482 2.753 -9.161 1.00 0.00 C ATOM 1170 O SER A 79 -4.331 3.174 -10.308 1.00 0.00 O ATOM 1171 CB SER A 79 -6.933 2.884 -8.678 1.00 0.00 C ATOM 1172 OG SER A 79 -7.266 3.400 -9.955 1.00 0.00 O ATOM 0 H SER A 79 -5.073 5.208 -9.093 1.00 0.00 H new ATOM 0 HA SER A 79 -5.354 3.004 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.963 1.795 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.675 3.207 -7.947 1.00 0.00 H new ATOM 0 HG SER A 79 -8.158 3.086 -10.212 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.749 1.771 -8.648 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.700 1.117 -9.421 1.00 0.00 C ATOM 1180 C TYR A 80 -2.863 -0.400 -9.387 1.00 0.00 C ATOM 1181 O TYR A 80 -3.212 -0.976 -8.356 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.323 1.505 -8.881 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.192 0.688 -9.464 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.066 -0.600 -9.012 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.619 1.204 -10.467 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.099 -1.350 -9.541 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.653 0.461 -11.003 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.889 -0.815 -10.536 1.00 0.00 C ATOM 1189 OH TYR A 80 2.918 -1.559 -11.067 1.00 0.00 O ATOM 0 H TYR A 80 -3.862 1.411 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.785 1.450 -10.455 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.144 2.560 -9.090 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.322 1.391 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.552 -1.023 -8.233 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.438 2.203 -10.834 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.286 -2.349 -9.177 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.273 0.877 -11.783 1.00 0.00 H new ATOM 0 HH TYR A 80 3.169 -2.267 -10.437 1.00 0.00 H new ATOM 1199 N THR A 81 -2.608 -1.042 -10.523 1.00 0.00 N ATOM 1200 CA THR A 81 -2.727 -2.491 -10.625 1.00 0.00 C ATOM 1201 C THR A 81 -1.368 -3.165 -10.476 1.00 0.00 C ATOM 1202 O THR A 81 -0.422 -2.843 -11.195 1.00 0.00 O ATOM 1203 CB THR A 81 -3.351 -2.910 -11.970 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.399 -2.002 -12.327 1.00 0.00 O ATOM 1205 CG2 THR A 81 -3.902 -4.325 -11.893 1.00 0.00 C ATOM 0 H THR A 81 -2.318 -0.581 -11.385 1.00 0.00 H new ATOM 0 HA THR A 81 -3.380 -2.813 -9.814 1.00 0.00 H new ATOM 0 HB THR A 81 -2.572 -2.882 -12.732 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.790 -2.274 -13.184 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.337 -4.599 -12.854 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.096 -5.017 -11.650 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.669 -4.375 -11.120 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.278 -4.104 -9.540 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.035 -4.826 -9.299 1.00 0.00 C ATOM 1215 C ALA A 82 -0.011 -6.146 -10.062 1.00 0.00 C ATOM 1216 O ALA A 82 -0.577 -7.145 -9.616 1.00 0.00 O ATOM 1217 CB ALA A 82 0.152 -5.072 -7.809 1.00 0.00 C ATOM 0 H ALA A 82 -2.051 -4.383 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 82 0.790 -4.212 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.084 -5.612 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.188 -4.117 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.682 -5.663 -7.430 1.00 0.00 H new ATOM 1223 N THR A 83 0.649 -6.145 -11.216 1.00 0.00 N ATOM 1224 CA THR A 83 0.745 -7.342 -12.043 1.00 0.00 C ATOM 1225 C THR A 83 2.095 -8.027 -11.862 1.00 0.00 C ATOM 1226 O THR A 83 3.072 -7.398 -11.458 1.00 0.00 O ATOM 1227 CB THR A 83 0.545 -7.013 -13.534 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.666 -6.270 -14.027 1.00 0.00 O ATOM 1229 CG2 THR A 83 -0.732 -6.214 -13.745 1.00 0.00 C ATOM 0 H THR A 83 1.125 -5.328 -11.599 1.00 0.00 H new ATOM 0 HA THR A 83 -0.048 -8.015 -11.718 1.00 0.00 H new ATOM 0 HB THR A 83 0.463 -7.951 -14.082 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.532 -6.066 -14.976 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.852 -5.993 -14.806 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.586 -6.794 -13.396 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.674 -5.281 -13.185 1.00 0.00 H new ATOM 1237 N GLY A 84 2.142 -9.321 -12.165 1.00 0.00 N ATOM 1238 CA GLY A 84 3.378 -10.070 -12.030 1.00 0.00 C ATOM 1239 C GLY A 84 3.738 -10.339 -10.582 1.00 0.00 C ATOM 1240 O GLY A 84 4.872 -10.105 -10.163 1.00 0.00 O ATOM 0 H GLY A 84 1.347 -9.864 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.285 -11.018 -12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.188 -9.517 -12.506 1.00 0.00 H new ATOM 1244 N LEU A 85 2.771 -10.830 -9.816 1.00 0.00 N ATOM 1245 CA LEU A 85 2.990 -11.130 -8.405 1.00 0.00 C ATOM 1246 C LEU A 85 3.004 -12.636 -8.164 1.00 0.00 C ATOM 1247 O LEU A 85 2.881 -13.427 -9.100 1.00 0.00 O ATOM 1248 CB LEU A 85 1.905 -10.475 -7.549 1.00 0.00 C ATOM 1249 CG LEU A 85 1.356 -9.144 -8.064 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.020 -8.828 -7.410 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.354 -8.023 -7.812 1.00 0.00 C ATOM 0 H LEU A 85 1.827 -11.029 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 85 3.962 -10.726 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.075 -11.175 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.306 -10.317 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 85 1.199 -9.229 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.355 -7.877 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.694 -9.618 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.150 -8.762 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.947 -7.083 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.543 -7.938 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.288 -8.244 -8.329 1.00 0.00 H new ATOM 1263 N LYS A 86 3.153 -13.027 -6.903 1.00 0.00 N ATOM 1264 CA LYS A 86 3.179 -14.438 -6.537 1.00 0.00 C ATOM 1265 C LYS A 86 1.820 -14.889 -6.011 1.00 0.00 C ATOM 1266 O LYS A 86 1.170 -14.197 -5.228 1.00 0.00 O ATOM 1267 CB LYS A 86 4.257 -14.692 -5.480 1.00 0.00 C ATOM 1268 CG LYS A 86 4.793 -16.113 -5.488 1.00 0.00 C ATOM 1269 CD LYS A 86 6.136 -16.206 -4.783 1.00 0.00 C ATOM 1270 CE LYS A 86 5.966 -16.427 -3.287 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.150 -17.104 -2.689 1.00 0.00 N ATOM 0 H LYS A 86 3.258 -12.386 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 86 3.412 -15.015 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.083 -14.000 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.846 -14.473 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.078 -16.775 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.896 -16.458 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.716 -17.025 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.702 -15.291 -4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.808 -15.468 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.075 -17.028 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.996 -17.237 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.286 -18.030 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.997 -16.519 -2.838 1.00 0.00 H new ATOM 1285 N PRO A 87 1.380 -16.078 -6.449 1.00 0.00 N ATOM 1286 CA PRO A 87 0.095 -16.649 -6.033 1.00 0.00 C ATOM 1287 C PRO A 87 0.098 -17.079 -4.570 1.00 0.00 C ATOM 1288 O PRO A 87 1.155 -17.311 -3.984 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.065 -17.866 -6.947 1.00 0.00 C ATOM 1290 CG PRO A 87 1.327 -18.244 -7.322 1.00 0.00 C ATOM 1291 CD PRO A 87 2.103 -16.957 -7.383 1.00 0.00 C ATOM 0 HA PRO A 87 -0.717 -15.927 -6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.572 -18.683 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.660 -17.624 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.758 -18.925 -6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.347 -18.758 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.140 -17.099 -7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.119 -16.545 -8.392 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.091 -17.182 -3.986 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.225 -17.584 -2.591 1.00 0.00 C ATOM 1301 C ASN A 88 -0.202 -16.865 -1.717 1.00 0.00 C ATOM 1302 O ASN A 88 0.195 -17.367 -0.665 1.00 0.00 O ATOM 1303 CB ASN A 88 -1.053 -19.099 -2.456 1.00 0.00 C ATOM 1304 CG ASN A 88 -0.140 -19.674 -3.522 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -0.579 -19.982 -4.630 1.00 0.00 O ATOM 1306 ND2 ASN A 88 1.137 -19.822 -3.190 1.00 0.00 N ATOM 0 H ASN A 88 -1.976 -16.993 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.224 -17.307 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.647 -19.330 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.029 -19.580 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.799 -20.205 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.456 -19.553 -2.259 1.00 0.00 H new ATOM 1313 N THR A 89 0.220 -15.685 -2.159 1.00 0.00 N ATOM 1314 CA THR A 89 1.197 -14.896 -1.419 1.00 0.00 C ATOM 1315 C THR A 89 0.728 -13.455 -1.252 1.00 0.00 C ATOM 1316 O THR A 89 0.411 -12.779 -2.231 1.00 0.00 O ATOM 1317 CB THR A 89 2.569 -14.899 -2.119 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.871 -16.214 -2.598 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.663 -14.437 -1.168 1.00 0.00 C ATOM 0 H THR A 89 -0.100 -15.254 -3.027 1.00 0.00 H new ATOM 0 HA THR A 89 1.297 -15.359 -0.437 1.00 0.00 H new ATOM 0 HB THR A 89 2.525 -14.207 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.394 -16.373 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.623 -14.447 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.445 -13.425 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.706 -15.107 -0.310 1.00 0.00 H new ATOM 1327 N MET A 90 0.685 -12.991 -0.008 1.00 0.00 N ATOM 1328 CA MET A 90 0.256 -11.629 0.286 1.00 0.00 C ATOM 1329 C MET A 90 1.454 -10.735 0.590 1.00 0.00 C ATOM 1330 O MET A 90 2.494 -11.209 1.048 1.00 0.00 O ATOM 1331 CB MET A 90 -0.715 -11.620 1.468 1.00 0.00 C ATOM 1332 CG MET A 90 -1.265 -10.241 1.793 1.00 0.00 C ATOM 1333 SD MET A 90 -0.249 -9.352 2.988 1.00 0.00 S ATOM 1334 CE MET A 90 -0.366 -10.438 4.407 1.00 0.00 C ATOM 0 H MET A 90 0.942 -13.538 0.813 1.00 0.00 H new ATOM 0 HA MET A 90 -0.253 -11.238 -0.595 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.546 -12.291 1.250 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.207 -12.016 2.348 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.335 -9.657 0.876 1.00 0.00 H new ATOM 0 HG3 MET A 90 -2.277 -10.341 2.185 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.301 -9.849 5.322 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.319 -10.967 4.383 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.450 -11.160 4.381 1.00 0.00 H new ATOM 1344 N TYR A 91 1.301 -9.441 0.333 1.00 0.00 N ATOM 1345 CA TYR A 91 2.372 -8.481 0.577 1.00 0.00 C ATOM 1346 C TYR A 91 1.817 -7.178 1.143 1.00 0.00 C ATOM 1347 O TYR A 91 0.622 -7.066 1.415 1.00 0.00 O ATOM 1348 CB TYR A 91 3.140 -8.203 -0.716 1.00 0.00 C ATOM 1349 CG TYR A 91 2.889 -9.225 -1.801 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.328 -10.536 -1.663 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.215 -8.880 -2.966 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.102 -11.473 -2.652 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.983 -9.810 -3.960 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.428 -11.106 -3.798 1.00 0.00 C ATOM 1355 OH TYR A 91 2.200 -12.036 -4.787 1.00 0.00 O ATOM 0 H TYR A 91 0.446 -9.032 -0.044 1.00 0.00 H new ATOM 0 HA TYR A 91 3.053 -8.913 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.864 -7.216 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.207 -8.174 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.855 -10.827 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.866 -7.866 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.451 -12.488 -2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.456 -9.525 -4.859 1.00 0.00 H new ATOM 0 HH TYR A 91 1.606 -12.737 -4.446 1.00 0.00 H new ATOM 1365 N GLU A 92 2.694 -6.194 1.316 1.00 0.00 N ATOM 1366 CA GLU A 92 2.292 -4.898 1.849 1.00 0.00 C ATOM 1367 C GLU A 92 2.411 -3.811 0.784 1.00 0.00 C ATOM 1368 O GLU A 92 3.470 -3.628 0.183 1.00 0.00 O ATOM 1369 CB GLU A 92 3.148 -4.533 3.064 1.00 0.00 C ATOM 1370 CG GLU A 92 4.342 -3.656 2.726 1.00 0.00 C ATOM 1371 CD GLU A 92 5.347 -3.577 3.858 1.00 0.00 C ATOM 1372 OE1 GLU A 92 6.015 -4.596 4.132 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.466 -2.495 4.471 1.00 0.00 O ATOM 0 H GLU A 92 3.687 -6.270 1.095 1.00 0.00 H new ATOM 0 HA GLU A 92 1.249 -4.968 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.525 -4.018 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.503 -5.449 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.834 -4.046 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.994 -2.652 2.484 1.00 0.00 H new ATOM 1380 N PHE A 93 1.317 -3.092 0.556 1.00 0.00 N ATOM 1381 CA PHE A 93 1.298 -2.024 -0.437 1.00 0.00 C ATOM 1382 C PHE A 93 1.144 -0.662 0.233 1.00 0.00 C ATOM 1383 O PHE A 93 0.645 -0.562 1.354 1.00 0.00 O ATOM 1384 CB PHE A 93 0.158 -2.247 -1.434 1.00 0.00 C ATOM 1385 CG PHE A 93 0.289 -3.521 -2.219 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.115 -4.750 -1.603 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.585 -3.489 -3.572 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.235 -5.924 -2.323 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.706 -4.659 -4.297 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.530 -5.878 -3.672 1.00 0.00 C ATOM 0 H PHE A 93 0.432 -3.229 1.045 1.00 0.00 H new ATOM 0 HA PHE A 93 2.248 -2.041 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.789 -2.258 -0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.121 -1.405 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.117 -4.791 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.723 -2.538 -4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.098 -6.876 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.938 -4.620 -5.351 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.623 -6.794 -4.237 1.00 0.00 H new ATOM 1400 N SER A 94 1.576 0.385 -0.463 1.00 0.00 N ATOM 1401 CA SER A 94 1.491 1.742 0.065 1.00 0.00 C ATOM 1402 C SER A 94 1.432 2.762 -1.067 1.00 0.00 C ATOM 1403 O SER A 94 1.655 2.429 -2.231 1.00 0.00 O ATOM 1404 CB SER A 94 2.689 2.035 0.970 1.00 0.00 C ATOM 1405 OG SER A 94 3.892 2.087 0.223 1.00 0.00 O ATOM 0 H SER A 94 1.988 0.320 -1.394 1.00 0.00 H new ATOM 0 HA SER A 94 0.575 1.822 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.536 2.983 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.766 1.264 1.737 1.00 0.00 H new ATOM 0 HG SER A 94 3.997 2.980 -0.166 1.00 0.00 H new ATOM 1411 N VAL A 95 1.130 4.009 -0.717 1.00 0.00 N ATOM 1412 CA VAL A 95 1.042 5.080 -1.702 1.00 0.00 C ATOM 1413 C VAL A 95 1.649 6.371 -1.165 1.00 0.00 C ATOM 1414 O VAL A 95 1.540 6.673 0.023 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.418 5.345 -2.115 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.482 6.411 -3.197 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.080 4.058 -2.583 1.00 0.00 C ATOM 0 H VAL A 95 0.942 4.302 0.242 1.00 0.00 H new ATOM 0 HA VAL A 95 1.605 4.753 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.963 5.712 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.521 6.585 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.048 7.337 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.077 6.076 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.111 4.263 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.536 3.660 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.068 3.328 -1.774 1.00 0.00 H new ATOM 1427 N MET A 96 2.289 7.130 -2.049 1.00 0.00 N ATOM 1428 CA MET A 96 2.912 8.391 -1.664 1.00 0.00 C ATOM 1429 C MET A 96 2.727 9.444 -2.752 1.00 0.00 C ATOM 1430 O MET A 96 2.047 9.206 -3.750 1.00 0.00 O ATOM 1431 CB MET A 96 4.402 8.184 -1.387 1.00 0.00 C ATOM 1432 CG MET A 96 5.174 7.646 -2.581 1.00 0.00 C ATOM 1433 SD MET A 96 5.835 8.956 -3.628 1.00 0.00 S ATOM 1434 CE MET A 96 7.222 9.511 -2.640 1.00 0.00 C ATOM 0 H MET A 96 2.390 6.894 -3.036 1.00 0.00 H new ATOM 0 HA MET A 96 2.426 8.745 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.841 9.133 -1.079 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.515 7.494 -0.551 1.00 0.00 H new ATOM 0 HG2 MET A 96 5.994 7.021 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.519 7.008 -3.174 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.129 10.580 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.231 8.974 -1.692 1.00 0.00 H new ATOM 0 HE3 MET A 96 8.151 9.317 -3.176 1.00 0.00 H new ATOM 1444 N VAL A 97 3.335 10.609 -2.552 1.00 0.00 N ATOM 1445 CA VAL A 97 3.238 11.697 -3.517 1.00 0.00 C ATOM 1446 C VAL A 97 4.560 12.446 -3.636 1.00 0.00 C ATOM 1447 O VAL A 97 5.275 12.628 -2.650 1.00 0.00 O ATOM 1448 CB VAL A 97 2.129 12.694 -3.129 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.310 13.161 -1.692 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.117 13.876 -4.085 1.00 0.00 C ATOM 0 H VAL A 97 3.900 10.823 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 97 2.992 11.246 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 97 1.167 12.187 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.518 13.864 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.264 12.303 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.278 13.651 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.328 14.570 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.080 14.385 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.935 13.522 -5.100 1.00 0.00 H new ATOM 1460 N THR A 98 4.881 12.881 -4.851 1.00 0.00 N ATOM 1461 CA THR A 98 6.118 13.610 -5.100 1.00 0.00 C ATOM 1462 C THR A 98 5.839 14.960 -5.751 1.00 0.00 C ATOM 1463 O THR A 98 5.643 15.047 -6.963 1.00 0.00 O ATOM 1464 CB THR A 98 7.073 12.805 -6.002 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.402 11.559 -5.378 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.346 13.590 -6.279 1.00 0.00 C ATOM 0 H THR A 98 4.301 12.741 -5.678 1.00 0.00 H new ATOM 0 HA THR A 98 6.592 13.768 -4.131 1.00 0.00 H new ATOM 0 HB THR A 98 6.569 12.615 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.202 11.672 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.005 13.001 -6.918 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.095 14.525 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.852 13.807 -5.338 1.00 0.00 H new ATOM 1474 N LYS A 99 5.824 16.011 -4.939 1.00 0.00 N ATOM 1475 CA LYS A 99 5.571 17.359 -5.435 1.00 0.00 C ATOM 1476 C LYS A 99 6.685 18.312 -5.013 1.00 0.00 C ATOM 1477 O LYS A 99 7.232 18.195 -3.918 1.00 0.00 O ATOM 1478 CB LYS A 99 4.224 17.870 -4.919 1.00 0.00 C ATOM 1479 CG LYS A 99 3.769 19.159 -5.582 1.00 0.00 C ATOM 1480 CD LYS A 99 2.308 19.454 -5.283 1.00 0.00 C ATOM 1481 CE LYS A 99 2.156 20.295 -4.025 1.00 0.00 C ATOM 1482 NZ LYS A 99 3.067 21.473 -4.032 1.00 0.00 N ATOM 0 H LYS A 99 5.984 15.956 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 99 5.544 17.320 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.468 17.102 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.293 18.029 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.387 19.986 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.913 19.085 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.861 19.977 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.763 18.517 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.124 20.635 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.364 19.680 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.618 22.262 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.961 21.223 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.259 21.757 -5.014 1.00 0.00 H new ATOM 1496 N ASN A 100 7.013 19.256 -5.889 1.00 0.00 N ATOM 1497 CA ASN A 100 8.060 20.230 -5.606 1.00 0.00 C ATOM 1498 C ASN A 100 9.440 19.586 -5.694 1.00 0.00 C ATOM 1499 O ASN A 100 10.263 19.731 -4.790 1.00 0.00 O ATOM 1500 CB ASN A 100 7.857 20.840 -4.217 1.00 0.00 C ATOM 1501 CG ASN A 100 8.410 22.248 -4.118 1.00 0.00 C ATOM 1502 OD1 ASN A 100 8.850 22.826 -5.112 1.00 0.00 O ATOM 1503 ND2 ASN A 100 8.392 22.807 -2.913 1.00 0.00 N ATOM 0 H ASN A 100 6.569 19.367 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 100 7.999 21.020 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.793 20.853 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.341 20.209 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.752 23.752 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.018 22.291 -2.117 1.00 0.00 H new ATOM 1510 N ARG A 101 9.687 18.875 -6.789 1.00 0.00 N ATOM 1511 CA ARG A 101 10.967 18.208 -6.995 1.00 0.00 C ATOM 1512 C ARG A 101 11.415 17.488 -5.727 1.00 0.00 C ATOM 1513 O ARG A 101 12.608 17.415 -5.432 1.00 0.00 O ATOM 1514 CB ARG A 101 12.030 19.220 -7.423 1.00 0.00 C ATOM 1515 CG ARG A 101 12.330 20.272 -6.367 1.00 0.00 C ATOM 1516 CD ARG A 101 13.497 21.156 -6.777 1.00 0.00 C ATOM 1517 NE ARG A 101 14.783 20.492 -6.578 1.00 0.00 N ATOM 1518 CZ ARG A 101 15.279 20.194 -5.383 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.601 20.499 -4.285 1.00 0.00 N ATOM 1520 NH2 ARG A 101 16.456 19.589 -5.284 1.00 0.00 N ATOM 0 H ARG A 101 9.017 18.746 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 101 10.840 17.469 -7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.950 18.688 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.700 19.717 -8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.446 20.888 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.558 19.783 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.391 21.433 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.473 22.080 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 101 15.330 20.244 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.696 20.964 -4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.985 20.269 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.980 19.353 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 101 16.836 19.360 -4.366 1.00 0.00 H new ATOM 1534 N ARG A 102 10.451 16.959 -4.981 1.00 0.00 N ATOM 1535 CA ARG A 102 10.746 16.247 -3.743 1.00 0.00 C ATOM 1536 C ARG A 102 9.694 15.177 -3.467 1.00 0.00 C ATOM 1537 O ARG A 102 8.550 15.290 -3.906 1.00 0.00 O ATOM 1538 CB ARG A 102 10.813 17.226 -2.570 1.00 0.00 C ATOM 1539 CG ARG A 102 9.449 17.669 -2.068 1.00 0.00 C ATOM 1540 CD ARG A 102 9.533 18.251 -0.665 1.00 0.00 C ATOM 1541 NE ARG A 102 10.018 17.272 0.305 1.00 0.00 N ATOM 1542 CZ ARG A 102 11.301 17.114 0.610 1.00 0.00 C ATOM 1543 NH1 ARG A 102 12.223 17.866 0.025 1.00 0.00 N ATOM 1544 NH2 ARG A 102 11.664 16.202 1.503 1.00 0.00 N ATOM 0 H ARG A 102 9.459 17.010 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 102 11.714 15.759 -3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.359 16.760 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.382 18.105 -2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.034 18.414 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.766 16.820 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.197 19.116 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.549 18.606 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 102 9.334 16.678 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.948 18.568 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.207 17.742 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.958 15.622 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.649 16.081 1.737 1.00 0.00 H new ATOM 1558 N SER A 103 10.091 14.138 -2.738 1.00 0.00 N ATOM 1559 CA SER A 103 9.183 13.046 -2.407 1.00 0.00 C ATOM 1560 C SER A 103 8.832 13.062 -0.923 1.00 0.00 C ATOM 1561 O SER A 103 9.648 13.446 -0.085 1.00 0.00 O ATOM 1562 CB SER A 103 9.812 11.702 -2.780 1.00 0.00 C ATOM 1563 OG SER A 103 9.694 11.451 -4.169 1.00 0.00 O ATOM 0 H SER A 103 11.035 14.030 -2.366 1.00 0.00 H new ATOM 0 HA SER A 103 8.266 13.182 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.864 11.698 -2.495 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.327 10.902 -2.220 1.00 0.00 H new ATOM 0 HG SER A 103 10.105 10.587 -4.381 1.00 0.00 H new ATOM 1569 N SER A 104 7.612 12.642 -0.605 1.00 0.00 N ATOM 1570 CA SER A 104 7.150 12.611 0.778 1.00 0.00 C ATOM 1571 C SER A 104 7.086 11.178 1.298 1.00 0.00 C ATOM 1572 O SER A 104 7.474 10.236 0.606 1.00 0.00 O ATOM 1573 CB SER A 104 5.773 13.268 0.892 1.00 0.00 C ATOM 1574 OG SER A 104 4.762 12.431 0.359 1.00 0.00 O ATOM 0 H SER A 104 6.925 12.318 -1.286 1.00 0.00 H new ATOM 0 HA SER A 104 7.863 13.168 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.556 13.485 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.777 14.221 0.363 1.00 0.00 H new ATOM 0 HG SER A 104 4.819 12.431 -0.619 1.00 0.00 H new ATOM 1580 N THR A 105 6.594 11.021 2.522 1.00 0.00 N ATOM 1581 CA THR A 105 6.480 9.704 3.137 1.00 0.00 C ATOM 1582 C THR A 105 5.282 8.941 2.584 1.00 0.00 C ATOM 1583 O THR A 105 4.353 9.536 2.039 1.00 0.00 O ATOM 1584 CB THR A 105 6.346 9.809 4.668 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.488 8.514 5.262 1.00 0.00 O ATOM 1586 CG2 THR A 105 5.000 10.404 5.054 1.00 0.00 C ATOM 0 H THR A 105 6.268 11.790 3.108 1.00 0.00 H new ATOM 0 HA THR A 105 7.395 9.162 2.896 1.00 0.00 H new ATOM 0 HB THR A 105 7.135 10.466 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.015 8.494 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.929 10.468 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.906 11.401 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.199 9.769 4.675 1.00 0.00 H new ATOM 1594 N TRP A 106 5.310 7.621 2.729 1.00 0.00 N ATOM 1595 CA TRP A 106 4.225 6.776 2.243 1.00 0.00 C ATOM 1596 C TRP A 106 3.098 6.697 3.267 1.00 0.00 C ATOM 1597 O TRP A 106 3.342 6.675 4.473 1.00 0.00 O ATOM 1598 CB TRP A 106 4.745 5.372 1.929 1.00 0.00 C ATOM 1599 CG TRP A 106 5.894 5.366 0.967 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.215 5.544 1.267 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.825 5.175 -0.450 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.970 5.474 0.122 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.141 5.248 -0.945 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.779 4.946 -1.348 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.437 5.102 -2.298 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.074 4.802 -2.690 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.393 4.879 -3.155 1.00 0.00 C ATOM 0 H TRP A 106 6.072 7.113 3.179 1.00 0.00 H new ATOM 0 HA TRP A 106 3.831 7.222 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.055 4.891 2.857 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.932 4.775 1.516 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.608 5.715 2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.984 5.574 0.074 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.759 4.883 -0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.453 5.163 -2.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.273 4.627 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.590 4.760 -4.210 1.00 0.00 H new ATOM 1618 N SER A 107 1.862 6.653 2.778 1.00 0.00 N ATOM 1619 CA SER A 107 0.697 6.580 3.652 1.00 0.00 C ATOM 1620 C SER A 107 0.583 5.199 4.291 1.00 0.00 C ATOM 1621 O SER A 107 1.386 4.308 4.016 1.00 0.00 O ATOM 1622 CB SER A 107 -0.577 6.897 2.866 1.00 0.00 C ATOM 1623 OG SER A 107 -0.823 5.915 1.875 1.00 0.00 O ATOM 0 H SER A 107 1.642 6.667 1.782 1.00 0.00 H new ATOM 0 HA SER A 107 0.821 7.319 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.425 6.950 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.484 7.876 2.397 1.00 0.00 H new ATOM 0 HG SER A 107 -0.125 5.960 1.189 1.00 0.00 H new ATOM 1629 N MET A 108 -0.421 5.030 5.144 1.00 0.00 N ATOM 1630 CA MET A 108 -0.642 3.758 5.822 1.00 0.00 C ATOM 1631 C MET A 108 -0.575 2.597 4.834 1.00 0.00 C ATOM 1632 O MET A 108 -1.313 2.562 3.850 1.00 0.00 O ATOM 1633 CB MET A 108 -1.998 3.762 6.531 1.00 0.00 C ATOM 1634 CG MET A 108 -3.140 4.253 5.656 1.00 0.00 C ATOM 1635 SD MET A 108 -4.735 3.573 6.148 1.00 0.00 S ATOM 1636 CE MET A 108 -4.664 1.956 5.381 1.00 0.00 C ATOM 0 H MET A 108 -1.095 5.758 5.382 1.00 0.00 H new ATOM 0 HA MET A 108 0.147 3.628 6.563 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.222 2.752 6.874 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.933 4.393 7.418 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.184 5.341 5.700 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.939 3.984 4.619 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.516 1.833 4.713 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.739 1.864 4.811 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.693 1.186 6.152 1.00 0.00 H new ATOM 1646 N THR A 109 0.316 1.648 5.104 1.00 0.00 N ATOM 1647 CA THR A 109 0.481 0.487 4.238 1.00 0.00 C ATOM 1648 C THR A 109 -0.673 -0.495 4.410 1.00 0.00 C ATOM 1649 O THR A 109 -1.090 -0.788 5.530 1.00 0.00 O ATOM 1650 CB THR A 109 1.807 -0.243 4.524 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.897 0.684 4.471 1.00 0.00 O ATOM 1652 CG2 THR A 109 2.037 -1.361 3.518 1.00 0.00 C ATOM 0 H THR A 109 0.934 1.661 5.915 1.00 0.00 H new ATOM 0 HA THR A 109 0.491 0.856 3.213 1.00 0.00 H new ATOM 0 HB THR A 109 1.749 -0.679 5.521 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.736 0.213 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.979 -1.862 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.220 -2.080 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.077 -0.943 2.512 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.185 -1.000 3.292 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.289 -1.951 3.319 1.00 0.00 C ATOM 1662 C ALA A 110 -1.814 -3.354 2.956 1.00 0.00 C ATOM 1663 O ALA A 110 -0.681 -3.541 2.512 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.394 -1.504 2.373 1.00 0.00 C ATOM 0 H ALA A 110 -0.853 -0.766 2.356 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.685 -1.981 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.212 -2.224 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.761 -0.524 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.002 -1.443 1.358 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.688 -4.337 3.147 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.357 -5.724 2.839 1.00 0.00 C ATOM 1672 C HIS A 111 -3.422 -6.351 1.944 1.00 0.00 C ATOM 1673 O HIS A 111 -4.582 -5.941 1.963 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.217 -6.535 4.128 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.945 -6.264 4.870 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.298 -6.305 4.274 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.728 -5.945 6.168 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.225 -6.025 5.173 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.628 -5.801 6.330 1.00 0.00 N ATOM 0 H HIS A 111 -3.630 -4.199 3.513 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.406 -5.735 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.062 -6.315 4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.268 -7.597 3.887 1.00 0.00 H new ATOM 0 HD1 HIS A 111 0.474 -6.518 3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.481 -5.826 6.933 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.289 -5.986 4.993 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.019 -7.345 1.160 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.938 -8.029 0.259 1.00 0.00 C ATOM 1690 C ALA A 112 -3.310 -9.297 -0.308 1.00 0.00 C ATOM 1691 O ALA A 112 -2.313 -9.241 -1.029 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.361 -7.098 -0.869 1.00 0.00 C ATOM 0 H ALA A 112 -2.061 -7.695 1.131 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.821 -8.316 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.047 -7.621 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.858 -6.222 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.481 -6.783 -1.430 1.00 0.00 H new ATOM 1698 N THR A 113 -3.898 -10.442 0.024 1.00 0.00 N ATOM 1699 CA THR A 113 -3.396 -11.726 -0.451 1.00 0.00 C ATOM 1700 C THR A 113 -3.934 -12.048 -1.840 1.00 0.00 C ATOM 1701 O THR A 113 -4.991 -11.557 -2.237 1.00 0.00 O ATOM 1702 CB THR A 113 -3.774 -12.867 0.512 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.699 -12.411 1.867 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.852 -14.062 0.322 1.00 0.00 C ATOM 0 H THR A 113 -4.723 -10.507 0.620 1.00 0.00 H new ATOM 0 HA THR A 113 -2.310 -11.644 -0.497 1.00 0.00 H new ATOM 0 HB THR A 113 -4.795 -13.176 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.943 -13.142 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.138 -14.855 1.013 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.934 -14.425 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.823 -13.762 0.519 1.00 0.00 H new ATOM 1712 N THR A 114 -3.200 -12.877 -2.576 1.00 0.00 N ATOM 1713 CA THR A 114 -3.604 -13.265 -3.922 1.00 0.00 C ATOM 1714 C THR A 114 -4.262 -14.640 -3.924 1.00 0.00 C ATOM 1715 O THR A 114 -4.044 -15.445 -3.018 1.00 0.00 O ATOM 1716 CB THR A 114 -2.403 -13.282 -4.886 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.382 -14.151 -4.382 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.837 -11.882 -5.070 1.00 0.00 C ATOM 0 H THR A 114 -2.323 -13.293 -2.263 1.00 0.00 H new ATOM 0 HA THR A 114 -4.324 -12.520 -4.263 1.00 0.00 H new ATOM 0 HB THR A 114 -2.747 -13.648 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.521 -13.910 -4.783 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.990 -11.919 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.607 -11.229 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.508 -11.493 -4.106 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.068 -14.903 -4.946 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.760 -16.181 -5.065 1.00 0.00 C ATOM 1728 C TYR A 115 -4.784 -17.297 -5.426 1.00 0.00 C ATOM 1729 O TYR A 115 -3.959 -17.147 -6.327 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.863 -16.092 -6.120 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.850 -14.974 -5.872 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.962 -15.169 -5.062 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.669 -13.721 -6.446 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.866 -14.150 -4.833 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.568 -12.696 -6.221 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.665 -12.916 -5.414 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.563 -11.898 -5.187 1.00 0.00 O ATOM 0 H TYR A 115 -5.259 -14.248 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.209 -16.413 -4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.406 -15.951 -7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.401 -17.040 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.122 -16.134 -4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.811 -13.546 -7.078 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.726 -14.319 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.413 -11.728 -6.674 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.149 -11.039 -5.414 1.00 0.00 H new ATOM 1747 N GLU A 116 -4.886 -18.416 -4.716 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.013 -19.558 -4.961 1.00 0.00 C ATOM 1749 C GLU A 116 -4.024 -19.945 -6.438 1.00 0.00 C ATOM 1750 O GLU A 116 -5.084 -20.152 -7.028 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.445 -20.752 -4.107 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.306 -21.695 -3.759 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.766 -23.130 -3.594 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.613 -23.383 -2.711 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.281 -24.000 -4.346 1.00 0.00 O ATOM 0 H GLU A 116 -5.564 -18.556 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.998 -19.272 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.896 -20.384 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.216 -21.308 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.549 -21.648 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.832 -21.361 -2.836 1.00 0.00 H new ATOM 1762 N ALA A 117 -2.837 -20.038 -7.028 1.00 0.00 N ATOM 1763 CA ALA A 117 -2.709 -20.400 -8.434 1.00 0.00 C ATOM 1764 C ALA A 117 -3.276 -21.792 -8.696 1.00 0.00 C ATOM 1765 O ALA A 117 -3.247 -22.659 -7.823 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.252 -20.332 -8.866 1.00 0.00 C ATOM 0 H ALA A 117 -1.950 -19.868 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.284 -19.685 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.171 -20.605 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.877 -19.318 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.662 -21.024 -8.265 1.00 0.00 H new ATOM 1772 N SER A 118 -3.792 -21.998 -9.903 1.00 0.00 N ATOM 1773 CA SER A 118 -4.371 -23.283 -10.278 1.00 0.00 C ATOM 1774 C SER A 118 -5.618 -23.579 -9.452 1.00 0.00 C ATOM 1775 O SER A 118 -5.838 -24.712 -9.024 1.00 0.00 O ATOM 1776 CB SER A 118 -3.344 -24.401 -10.092 1.00 0.00 C ATOM 1777 OG SER A 118 -3.850 -25.641 -10.556 1.00 0.00 O ATOM 0 H SER A 118 -3.821 -21.292 -10.638 1.00 0.00 H new ATOM 0 HA SER A 118 -4.657 -23.233 -11.329 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.430 -24.153 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.079 -24.484 -9.038 1.00 0.00 H new ATOM 0 HG SER A 118 -4.680 -25.854 -10.081 1.00 0.00 H new ATOM 1783 N GLY A 119 -6.432 -22.552 -9.231 1.00 0.00 N ATOM 1784 CA GLY A 119 -7.648 -22.721 -8.456 1.00 0.00 C ATOM 1785 C GLY A 119 -7.507 -22.208 -7.037 1.00 0.00 C ATOM 1786 O GLY A 119 -6.641 -22.645 -6.279 1.00 0.00 O ATOM 0 H GLY A 119 -6.271 -21.605 -9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.466 -22.196 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.916 -23.777 -8.432 1.00 0.00 H new ATOM 1790 N PRO A 120 -8.373 -21.256 -6.659 1.00 0.00 N ATOM 1791 CA PRO A 120 -8.361 -20.660 -5.320 1.00 0.00 C ATOM 1792 C PRO A 120 -8.820 -21.641 -4.246 1.00 0.00 C ATOM 1793 O PRO A 120 -9.256 -22.751 -4.550 1.00 0.00 O ATOM 1794 CB PRO A 120 -9.350 -19.498 -5.439 1.00 0.00 C ATOM 1795 CG PRO A 120 -10.266 -19.892 -6.546 1.00 0.00 C ATOM 1796 CD PRO A 120 -9.432 -20.688 -7.511 1.00 0.00 C ATOM 0 HA PRO A 120 -7.359 -20.355 -5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -9.896 -19.346 -4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -8.837 -18.563 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -11.100 -20.485 -6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -10.692 -19.014 -7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.017 -21.468 -7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -9.019 -20.059 -8.299 1.00 0.00 H new ATOM 1804 N SER A 121 -8.718 -21.224 -2.988 1.00 0.00 N ATOM 1805 CA SER A 121 -9.119 -22.067 -1.868 1.00 0.00 C ATOM 1806 C SER A 121 -10.530 -21.718 -1.403 1.00 0.00 C ATOM 1807 O SER A 121 -11.357 -22.601 -1.176 1.00 0.00 O ATOM 1808 CB SER A 121 -8.135 -21.912 -0.707 1.00 0.00 C ATOM 1809 OG SER A 121 -7.905 -20.545 -0.412 1.00 0.00 O ATOM 0 H SER A 121 -8.361 -20.307 -2.719 1.00 0.00 H new ATOM 0 HA SER A 121 -9.112 -23.103 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.527 -22.417 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.192 -22.397 -0.959 1.00 0.00 H new ATOM 0 HG SER A 121 -7.274 -20.473 0.335 1.00 0.00 H new ATOM 1815 N SER A 122 -10.797 -20.424 -1.264 1.00 0.00 N ATOM 1816 CA SER A 122 -12.106 -19.956 -0.823 1.00 0.00 C ATOM 1817 C SER A 122 -12.838 -19.243 -1.956 1.00 0.00 C ATOM 1818 O SER A 122 -12.633 -18.053 -2.189 1.00 0.00 O ATOM 1819 CB SER A 122 -11.959 -19.017 0.376 1.00 0.00 C ATOM 1820 OG SER A 122 -13.187 -18.877 1.068 1.00 0.00 O ATOM 0 H SER A 122 -10.124 -19.680 -1.450 1.00 0.00 H new ATOM 0 HA SER A 122 -12.693 -20.824 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.198 -19.404 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.616 -18.040 0.036 1.00 0.00 H new ATOM 0 HG SER A 122 -13.066 -18.274 1.831 1.00 0.00 H new ATOM 1826 N GLY A 123 -13.694 -19.981 -2.656 1.00 0.00 N ATOM 1827 CA GLY A 123 -14.444 -19.403 -3.756 1.00 0.00 C ATOM 1828 C GLY A 123 -15.941 -19.577 -3.591 1.00 0.00 C ATOM 1829 O GLY A 123 -16.726 -18.806 -4.144 1.00 0.00 O ATOM 0 H GLY A 123 -13.881 -20.968 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.211 -18.341 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -14.128 -19.867 -4.691 1.00 0.00 H new TER 1833 GLY A 123