USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 72 MET CE :methyl 161:sc= -2.16 (180deg=-3.26!) USER MOD Set 1.2: A 89 MET CE :methyl 171:sc= -3.07 (180deg=-1.47) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= -0.0714 USER MOD Set 2.2: A 75 MET CE :methyl 175:sc= -2.62 (180deg=-2.45) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.0222 USER MOD Set 3.2: A 29 THR OG1 : rot 82:sc= 0.0231 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -133:sc= -0.288 (180deg=-3.14) USER MOD Single : A 14 THR OG1 : rot 110:sc= -0.112 USER MOD Single : A 15 SER OG : rot 140:sc= 0.262 USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.414) USER MOD Single : A 20 ASN : amide:sc= -1.77 K(o=-1.8,f=-7.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -170:sc= 0.138 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0912) USER MOD Single : A 54 SER OG : rot 12:sc= 0.361 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.52 F(o=-3.3!,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 0.445 (180deg=-1.1!) USER MOD Single : A 88 GLN : amide:sc= 0.455 K(o=0.45,f=-0.29) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.37 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -11.980 14.291 4.111 1.00 0.00 N ATOM 30 CA TYR A 3 -11.500 14.040 2.754 1.00 0.00 C ATOM 31 C TYR A 3 -12.298 14.781 1.675 1.00 0.00 C ATOM 32 O TYR A 3 -12.233 14.402 0.506 1.00 0.00 O ATOM 33 CB TYR A 3 -11.497 12.539 2.474 1.00 0.00 C ATOM 34 CG TYR A 3 -10.783 11.710 3.518 1.00 0.00 C ATOM 35 CD1 TYR A 3 -11.451 11.365 4.697 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.462 11.287 3.299 1.00 0.00 C ATOM 37 CE1 TYR A 3 -10.804 10.585 5.666 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.806 10.509 4.266 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.478 10.151 5.454 1.00 0.00 C ATOM 40 OH TYR A 3 -8.845 9.393 6.393 1.00 0.00 O ATOM 0 HA TYR A 3 -10.485 14.433 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -12.528 12.194 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -11.029 12.363 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.465 11.699 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.951 11.560 2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.321 10.316 6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.789 10.185 4.101 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.939 9.181 6.086 1.00 0.00 H new ATOM 50 N GLY A 4 -13.047 15.827 2.041 1.00 0.00 N ATOM 51 CA GLY A 4 -13.904 16.511 1.093 1.00 0.00 C ATOM 52 C GLY A 4 -13.107 17.034 -0.096 1.00 0.00 C ATOM 53 O GLY A 4 -13.529 16.856 -1.232 1.00 0.00 O ATOM 0 H GLY A 4 -13.071 16.210 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.679 15.829 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.409 17.340 1.588 1.00 0.00 H new ATOM 57 N ARG A 5 -11.960 17.676 0.138 1.00 0.00 N ATOM 58 CA ARG A 5 -11.148 18.228 -0.947 1.00 0.00 C ATOM 59 C ARG A 5 -9.756 18.682 -0.499 1.00 0.00 C ATOM 60 O ARG A 5 -9.303 19.750 -0.911 1.00 0.00 O ATOM 61 CB ARG A 5 -11.911 19.338 -1.669 1.00 0.00 C ATOM 62 CG ARG A 5 -12.668 20.229 -0.700 1.00 0.00 C ATOM 63 CD ARG A 5 -13.371 21.307 -1.498 1.00 0.00 C ATOM 64 NE ARG A 5 -12.431 22.310 -2.014 1.00 0.00 N ATOM 65 CZ ARG A 5 -12.072 22.435 -3.296 1.00 0.00 C ATOM 66 NH1 ARG A 5 -12.548 21.613 -4.230 1.00 0.00 N ATOM 67 NH2 ARG A 5 -11.229 23.397 -3.656 1.00 0.00 N ATOM 0 H ARG A 5 -11.573 17.826 1.070 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.966 17.417 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.212 19.942 -2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.611 18.895 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.391 19.644 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.983 20.675 0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.907 20.851 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.115 21.797 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.021 22.961 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.199 20.871 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.261 21.725 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.857 24.038 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.954 23.494 -4.633 1.00 0.00 H new ATOM 81 N PRO A 6 -9.045 17.914 0.341 1.00 0.00 N ATOM 82 CA PRO A 6 -7.704 18.282 0.754 1.00 0.00 C ATOM 83 C PRO A 6 -6.764 18.159 -0.446 1.00 0.00 C ATOM 84 O PRO A 6 -6.844 17.175 -1.179 1.00 0.00 O ATOM 85 CB PRO A 6 -7.345 17.299 1.867 1.00 0.00 C ATOM 86 CG PRO A 6 -8.167 16.058 1.523 1.00 0.00 C ATOM 87 CD PRO A 6 -9.444 16.649 0.927 1.00 0.00 C ATOM 0 HA PRO A 6 -7.625 19.309 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.277 17.082 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.604 17.693 2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.649 15.415 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.375 15.454 2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.871 15.985 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.205 16.794 1.694 1.00 0.00 H new ATOM 95 N PRO A 7 -5.873 19.136 -0.662 1.00 0.00 N ATOM 96 CA PRO A 7 -4.981 19.180 -1.811 1.00 0.00 C ATOM 97 C PRO A 7 -3.860 18.148 -1.674 1.00 0.00 C ATOM 98 O PRO A 7 -3.038 18.243 -0.759 1.00 0.00 O ATOM 99 CB PRO A 7 -4.424 20.605 -1.823 1.00 0.00 C ATOM 100 CG PRO A 7 -4.444 21.004 -0.348 1.00 0.00 C ATOM 101 CD PRO A 7 -5.683 20.294 0.194 1.00 0.00 C ATOM 0 HA PRO A 7 -5.497 18.938 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.415 20.639 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.038 21.272 -2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.539 20.683 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.514 22.085 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.541 19.995 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.554 20.949 0.167 1.00 0.00 H new ATOM 109 N PRO A 8 -3.814 17.160 -2.580 1.00 0.00 N ATOM 110 CA PRO A 8 -2.772 16.154 -2.627 1.00 0.00 C ATOM 111 C PRO A 8 -1.585 16.662 -3.452 1.00 0.00 C ATOM 112 O PRO A 8 -1.452 17.863 -3.687 1.00 0.00 O ATOM 113 CB PRO A 8 -3.451 14.966 -3.308 1.00 0.00 C ATOM 114 CG PRO A 8 -4.301 15.662 -4.367 1.00 0.00 C ATOM 115 CD PRO A 8 -4.783 16.917 -3.640 1.00 0.00 C ATOM 0 HA PRO A 8 -2.371 15.898 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.729 14.279 -3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.058 14.387 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.720 15.907 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.133 15.038 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.838 17.766 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.782 16.772 -3.230 1.00 0.00 H new ATOM 123 N ASP A 9 -0.727 15.741 -3.892 1.00 0.00 N ATOM 124 CA ASP A 9 0.440 16.052 -4.714 1.00 0.00 C ATOM 125 C ASP A 9 0.558 15.024 -5.846 1.00 0.00 C ATOM 126 O ASP A 9 1.653 14.706 -6.307 1.00 0.00 O ATOM 127 CB ASP A 9 1.685 16.083 -3.824 1.00 0.00 C ATOM 128 CG ASP A 9 2.921 16.579 -4.570 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.802 17.605 -5.277 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.982 15.930 -4.425 1.00 0.00 O ATOM 0 H ASP A 9 -0.825 14.747 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 9 0.336 17.034 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.499 16.728 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.876 15.083 -3.435 1.00 0.00 H new ATOM 135 N VAL A 10 -0.590 14.500 -6.294 1.00 0.00 N ATOM 136 CA VAL A 10 -0.667 13.477 -7.332 1.00 0.00 C ATOM 137 C VAL A 10 -0.137 13.965 -8.678 1.00 0.00 C ATOM 138 O VAL A 10 -0.017 13.183 -9.620 1.00 0.00 O ATOM 139 CB VAL A 10 -2.104 12.971 -7.487 1.00 0.00 C ATOM 140 CG1 VAL A 10 -2.610 12.382 -6.173 1.00 0.00 C ATOM 141 CG2 VAL A 10 -3.053 14.096 -7.912 1.00 0.00 C ATOM 0 H VAL A 10 -1.503 14.783 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.027 12.656 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.090 12.204 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.633 12.028 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.972 11.549 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.587 13.148 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.064 13.701 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.044 14.883 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.727 14.505 -8.868 1.00 0.00 H new ATOM 151 N GLU A 11 0.179 15.257 -8.777 1.00 0.00 N ATOM 152 CA GLU A 11 0.669 15.878 -9.998 1.00 0.00 C ATOM 153 C GLU A 11 2.126 15.515 -10.306 1.00 0.00 C ATOM 154 O GLU A 11 2.671 15.976 -11.309 1.00 0.00 O ATOM 155 CB GLU A 11 0.504 17.395 -9.873 1.00 0.00 C ATOM 156 CG GLU A 11 1.311 17.953 -8.695 1.00 0.00 C ATOM 157 CD GLU A 11 1.156 19.466 -8.594 1.00 0.00 C ATOM 158 OE1 GLU A 11 0.182 19.908 -7.942 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.013 20.174 -9.169 1.00 0.00 O ATOM 0 H GLU A 11 0.099 15.908 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 11 0.082 15.498 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.828 17.875 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.550 17.638 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.977 17.487 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.364 17.699 -8.818 1.00 0.00 H new ATOM 166 N GLY A 12 2.764 14.699 -9.463 1.00 0.00 N ATOM 167 CA GLY A 12 4.165 14.351 -9.655 1.00 0.00 C ATOM 168 C GLY A 12 4.648 13.319 -8.641 1.00 0.00 C ATOM 169 O GLY A 12 5.671 13.536 -7.992 1.00 0.00 O ATOM 0 H GLY A 12 2.330 14.271 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.305 13.960 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.775 15.251 -9.574 1.00 0.00 H new ATOM 173 N MET A 13 3.926 12.201 -8.495 1.00 0.00 N ATOM 174 CA MET A 13 4.300 11.177 -7.527 1.00 0.00 C ATOM 175 C MET A 13 4.287 9.762 -8.118 1.00 0.00 C ATOM 176 O MET A 13 3.870 9.558 -9.258 1.00 0.00 O ATOM 177 CB MET A 13 3.377 11.260 -6.308 1.00 0.00 C ATOM 178 CG MET A 13 1.970 10.772 -6.665 1.00 0.00 C ATOM 179 SD MET A 13 0.951 10.249 -5.263 1.00 0.00 S ATOM 180 CE MET A 13 0.754 11.813 -4.381 1.00 0.00 C ATOM 0 H MET A 13 3.086 11.988 -9.033 1.00 0.00 H new ATOM 0 HA MET A 13 5.329 11.374 -7.227 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.782 10.656 -5.496 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.331 12.288 -5.949 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.450 11.571 -7.193 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.059 9.937 -7.360 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.949 11.659 -3.320 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.458 12.545 -4.777 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.264 12.180 -4.514 1.00 0.00 H new ATOM 190 N THR A 14 4.742 8.784 -7.328 1.00 0.00 N ATOM 191 CA THR A 14 4.792 7.375 -7.712 1.00 0.00 C ATOM 192 C THR A 14 3.394 6.753 -7.803 1.00 0.00 C ATOM 193 O THR A 14 3.218 5.752 -8.491 1.00 0.00 O ATOM 194 CB THR A 14 5.664 6.634 -6.695 1.00 0.00 C ATOM 195 OG1 THR A 14 7.006 6.951 -6.966 1.00 0.00 O ATOM 196 CG2 THR A 14 5.494 5.119 -6.763 1.00 0.00 C ATOM 0 H THR A 14 5.092 8.956 -6.386 1.00 0.00 H new ATOM 0 HA THR A 14 5.225 7.289 -8.709 1.00 0.00 H new ATOM 0 HB THR A 14 5.361 6.948 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.358 7.521 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.136 4.647 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.455 4.860 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.769 4.766 -7.757 1.00 0.00 H new ATOM 203 N SER A 15 2.406 7.341 -7.119 1.00 0.00 N ATOM 204 CA SER A 15 1.029 6.862 -7.083 1.00 0.00 C ATOM 205 C SER A 15 0.912 5.344 -6.946 1.00 0.00 C ATOM 206 O SER A 15 0.343 4.688 -7.814 1.00 0.00 O ATOM 207 CB SER A 15 0.249 7.352 -8.305 1.00 0.00 C ATOM 208 OG SER A 15 0.143 8.758 -8.296 1.00 0.00 O ATOM 0 H SER A 15 2.551 8.184 -6.563 1.00 0.00 H new ATOM 0 HA SER A 15 0.589 7.286 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.749 7.026 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.746 6.907 -8.310 1.00 0.00 H new ATOM 0 HG SER A 15 0.261 9.101 -9.206 1.00 0.00 H new ATOM 214 N LEU A 16 1.452 4.774 -5.863 1.00 0.00 N ATOM 215 CA LEU A 16 1.179 3.368 -5.574 1.00 0.00 C ATOM 216 C LEU A 16 -0.321 3.218 -5.358 1.00 0.00 C ATOM 217 O LEU A 16 -0.990 4.221 -5.115 1.00 0.00 O ATOM 218 CB LEU A 16 1.899 2.940 -4.294 1.00 0.00 C ATOM 219 CG LEU A 16 1.881 1.428 -4.037 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.771 0.681 -5.028 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.390 1.165 -2.627 1.00 0.00 C ATOM 0 H LEU A 16 2.060 5.247 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 16 1.526 2.749 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.935 3.276 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.439 3.447 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 16 0.858 1.071 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.734 -0.388 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.417 0.862 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.798 1.034 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.382 0.093 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.407 1.544 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.745 1.670 -1.907 1.00 0.00 H new ATOM 233 N LYS A 17 -0.848 1.996 -5.438 1.00 0.00 N ATOM 234 CA LYS A 17 -2.236 1.723 -5.100 1.00 0.00 C ATOM 235 C LYS A 17 -2.337 0.514 -4.183 1.00 0.00 C ATOM 236 O LYS A 17 -1.495 -0.380 -4.238 1.00 0.00 O ATOM 237 CB LYS A 17 -3.086 1.534 -6.356 1.00 0.00 C ATOM 238 CG LYS A 17 -2.750 0.221 -7.065 1.00 0.00 C ATOM 239 CD LYS A 17 -3.800 -0.098 -8.123 1.00 0.00 C ATOM 240 CE LYS A 17 -3.648 -1.539 -8.608 1.00 0.00 C ATOM 241 NZ LYS A 17 -3.978 -2.501 -7.539 1.00 0.00 N ATOM 0 H LYS A 17 -0.324 1.174 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.629 2.588 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.142 1.544 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.922 2.369 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.767 0.293 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.700 -0.589 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.798 0.050 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.698 0.588 -8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.299 -1.707 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.625 -1.705 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.312 -3.390 -7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.130 -2.687 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.725 -2.105 -6.934 1.00 0.00 H new ATOM 255 N VAL A 18 -3.372 0.472 -3.339 1.00 0.00 N ATOM 256 CA VAL A 18 -3.633 -0.689 -2.491 1.00 0.00 C ATOM 257 C VAL A 18 -5.101 -1.074 -2.591 1.00 0.00 C ATOM 258 O VAL A 18 -5.959 -0.197 -2.683 1.00 0.00 O ATOM 259 CB VAL A 18 -3.300 -0.393 -1.026 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.513 -1.646 -0.177 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.858 0.083 -0.856 1.00 0.00 C ATOM 0 H VAL A 18 -4.043 1.232 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.000 -1.506 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.967 0.404 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.274 -1.426 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.553 -1.963 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.864 -2.444 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.662 0.282 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.176 -0.689 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.706 0.996 -1.432 1.00 0.00 H new ATOM 271 N ASP A 19 -5.365 -2.382 -2.569 1.00 0.00 N ATOM 272 CA ASP A 19 -6.704 -2.944 -2.672 1.00 0.00 C ATOM 273 C ASP A 19 -6.791 -4.261 -1.898 1.00 0.00 C ATOM 274 O ASP A 19 -5.812 -4.674 -1.278 1.00 0.00 O ATOM 275 CB ASP A 19 -7.029 -3.196 -4.146 1.00 0.00 C ATOM 276 CG ASP A 19 -6.928 -1.921 -4.977 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.840 -1.075 -4.840 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.940 -1.809 -5.740 1.00 0.00 O ATOM 0 H ASP A 19 -4.637 -3.090 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.420 -2.241 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.345 -3.945 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.035 -3.606 -4.231 1.00 0.00 H new ATOM 283 N ASN A 20 -7.966 -4.912 -1.947 1.00 0.00 N ATOM 284 CA ASN A 20 -8.196 -6.274 -1.462 1.00 0.00 C ATOM 285 C ASN A 20 -8.652 -6.330 -0.001 1.00 0.00 C ATOM 286 O ASN A 20 -8.428 -7.329 0.684 1.00 0.00 O ATOM 287 CB ASN A 20 -6.963 -7.145 -1.706 1.00 0.00 C ATOM 288 CG ASN A 20 -7.304 -8.618 -1.841 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.428 -8.987 -2.160 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.319 -9.468 -1.597 1.00 0.00 N ATOM 0 H ASN A 20 -8.806 -4.486 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.027 -6.679 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.459 -6.808 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.261 -7.013 -0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.482 -10.472 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.397 -9.119 -1.334 1.00 0.00 H new ATOM 297 N LEU A 21 -9.288 -5.258 0.476 1.00 0.00 N ATOM 298 CA LEU A 21 -9.741 -5.127 1.851 1.00 0.00 C ATOM 299 C LEU A 21 -10.635 -6.306 2.211 1.00 0.00 C ATOM 300 O LEU A 21 -11.663 -6.534 1.573 1.00 0.00 O ATOM 301 CB LEU A 21 -10.534 -3.826 2.000 1.00 0.00 C ATOM 302 CG LEU A 21 -9.690 -2.543 2.034 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.298 -2.248 3.477 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.417 -2.606 1.188 1.00 0.00 C ATOM 0 H LEU A 21 -9.504 -4.444 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.878 -5.111 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.241 -3.754 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.120 -3.880 2.917 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.312 -1.757 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.698 -1.339 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.197 -2.113 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.718 -3.081 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.880 -1.661 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.781 -3.416 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.681 -2.787 0.146 1.00 0.00 H new ATOM 316 N THR A 22 -10.247 -7.055 3.242 1.00 0.00 N ATOM 317 CA THR A 22 -11.044 -8.166 3.731 1.00 0.00 C ATOM 318 C THR A 22 -12.338 -7.638 4.359 1.00 0.00 C ATOM 319 O THR A 22 -12.479 -6.439 4.597 1.00 0.00 O ATOM 320 CB THR A 22 -10.206 -8.961 4.739 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.923 -9.207 4.198 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.832 -10.310 5.084 1.00 0.00 C ATOM 0 H THR A 22 -9.378 -6.906 3.755 1.00 0.00 H new ATOM 0 HA THR A 22 -11.325 -8.828 2.912 1.00 0.00 H new ATOM 0 HB THR A 22 -10.151 -8.360 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.387 -9.714 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.199 -10.832 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.819 -10.153 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.926 -10.910 4.179 1.00 0.00 H new ATOM 329 N TYR A 23 -13.287 -8.539 4.626 1.00 0.00 N ATOM 330 CA TYR A 23 -14.585 -8.227 5.209 1.00 0.00 C ATOM 331 C TYR A 23 -14.495 -7.653 6.630 1.00 0.00 C ATOM 332 O TYR A 23 -15.522 -7.508 7.294 1.00 0.00 O ATOM 333 CB TYR A 23 -15.434 -9.502 5.209 1.00 0.00 C ATOM 334 CG TYR A 23 -14.857 -10.621 6.054 1.00 0.00 C ATOM 335 CD1 TYR A 23 -13.937 -11.518 5.494 1.00 0.00 C ATOM 336 CD2 TYR A 23 -15.243 -10.757 7.395 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.394 -12.550 6.272 1.00 0.00 C ATOM 338 CE2 TYR A 23 -14.709 -11.786 8.180 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.780 -12.686 7.621 1.00 0.00 C ATOM 340 OH TYR A 23 -13.255 -13.687 8.383 1.00 0.00 O ATOM 0 H TYR A 23 -13.165 -9.534 4.435 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.043 -7.448 4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.433 -9.262 5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.545 -9.854 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.645 -11.414 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -15.954 -10.066 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.683 -13.238 5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.009 -11.890 9.212 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.626 -13.638 9.289 1.00 0.00 H new ATOM 350 N ARG A 24 -13.288 -7.331 7.101 1.00 0.00 N ATOM 351 CA ARG A 24 -13.043 -6.873 8.465 1.00 0.00 C ATOM 352 C ARG A 24 -12.137 -5.647 8.497 1.00 0.00 C ATOM 353 O ARG A 24 -11.586 -5.320 9.546 1.00 0.00 O ATOM 354 CB ARG A 24 -12.428 -8.037 9.246 1.00 0.00 C ATOM 355 CG ARG A 24 -11.028 -8.360 8.720 1.00 0.00 C ATOM 356 CD ARG A 24 -10.577 -9.694 9.300 1.00 0.00 C ATOM 357 NE ARG A 24 -9.170 -9.967 8.989 1.00 0.00 N ATOM 358 CZ ARG A 24 -8.437 -10.888 9.619 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.974 -11.645 10.575 1.00 0.00 N ATOM 360 NH2 ARG A 24 -7.159 -11.065 9.302 1.00 0.00 N ATOM 0 H ARG A 24 -12.442 -7.383 6.534 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.983 -6.566 8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.375 -7.783 10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.066 -8.917 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.036 -8.406 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.329 -7.572 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.717 -9.688 10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.201 -10.494 8.902 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.726 -9.422 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.954 -11.524 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.405 -12.346 11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.731 -10.495 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.606 -11.771 9.788 1.00 0.00 H new ATOM 374 N THR A 25 -11.975 -4.972 7.361 1.00 0.00 N ATOM 375 CA THR A 25 -11.034 -3.863 7.236 1.00 0.00 C ATOM 376 C THR A 25 -11.737 -2.590 6.752 1.00 0.00 C ATOM 377 O THR A 25 -12.869 -2.645 6.273 1.00 0.00 O ATOM 378 CB THR A 25 -9.899 -4.275 6.288 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.557 -5.626 6.497 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.643 -3.441 6.533 1.00 0.00 C ATOM 0 H THR A 25 -12.490 -5.178 6.505 1.00 0.00 H new ATOM 0 HA THR A 25 -10.614 -3.635 8.215 1.00 0.00 H new ATOM 0 HB THR A 25 -10.257 -4.116 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.834 -5.879 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.857 -3.756 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.868 -2.387 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.306 -3.583 7.560 1.00 0.00 H new ATOM 387 N SER A 26 -11.064 -1.443 6.877 1.00 0.00 N ATOM 388 CA SER A 26 -11.606 -0.123 6.567 1.00 0.00 C ATOM 389 C SER A 26 -10.461 0.808 6.145 1.00 0.00 C ATOM 390 O SER A 26 -9.296 0.449 6.319 1.00 0.00 O ATOM 391 CB SER A 26 -12.298 0.389 7.832 1.00 0.00 C ATOM 392 OG SER A 26 -11.332 0.727 8.808 1.00 0.00 O ATOM 0 H SER A 26 -10.099 -1.409 7.206 1.00 0.00 H new ATOM 0 HA SER A 26 -12.321 -0.163 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.908 1.261 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.971 -0.374 8.223 1.00 0.00 H new ATOM 0 HG SER A 26 -11.782 1.055 9.614 1.00 0.00 H new ATOM 398 N PRO A 27 -10.752 1.997 5.596 1.00 0.00 N ATOM 399 CA PRO A 27 -9.720 2.907 5.116 1.00 0.00 C ATOM 400 C PRO A 27 -8.903 3.493 6.267 1.00 0.00 C ATOM 401 O PRO A 27 -7.743 3.842 6.078 1.00 0.00 O ATOM 402 CB PRO A 27 -10.461 4.005 4.353 1.00 0.00 C ATOM 403 CG PRO A 27 -11.847 4.011 4.995 1.00 0.00 C ATOM 404 CD PRO A 27 -12.075 2.551 5.376 1.00 0.00 C ATOM 0 HA PRO A 27 -9.003 2.387 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.966 4.971 4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.514 3.787 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.881 4.663 5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.608 4.367 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.688 2.471 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.598 2.016 4.584 1.00 0.00 H new ATOM 412 N ASP A 28 -9.488 3.609 7.461 1.00 0.00 N ATOM 413 CA ASP A 28 -8.737 4.112 8.606 1.00 0.00 C ATOM 414 C ASP A 28 -7.699 3.080 9.026 1.00 0.00 C ATOM 415 O ASP A 28 -6.634 3.438 9.531 1.00 0.00 O ATOM 416 CB ASP A 28 -9.662 4.392 9.784 1.00 0.00 C ATOM 417 CG ASP A 28 -8.932 5.165 10.882 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.829 6.405 10.741 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.481 4.517 11.850 1.00 0.00 O ATOM 0 H ASP A 28 -10.459 3.366 7.656 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.249 5.042 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.526 4.964 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.040 3.452 10.186 1.00 0.00 H new ATOM 424 N THR A 29 -7.996 1.790 8.818 1.00 0.00 N ATOM 425 CA THR A 29 -7.031 0.760 9.147 1.00 0.00 C ATOM 426 C THR A 29 -5.943 0.759 8.091 1.00 0.00 C ATOM 427 O THR A 29 -4.760 0.693 8.405 1.00 0.00 O ATOM 428 CB THR A 29 -7.692 -0.612 9.225 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.686 -0.620 10.228 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.611 -1.630 9.567 1.00 0.00 C ATOM 0 H THR A 29 -8.877 1.451 8.432 1.00 0.00 H new ATOM 0 HA THR A 29 -6.602 0.973 10.126 1.00 0.00 H new ATOM 0 HB THR A 29 -8.165 -0.855 8.273 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.511 -0.228 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.054 -2.624 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.846 -1.622 8.791 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.159 -1.373 10.525 1.00 0.00 H new ATOM 437 N LEU A 30 -6.330 0.831 6.821 1.00 0.00 N ATOM 438 CA LEU A 30 -5.374 0.872 5.731 1.00 0.00 C ATOM 439 C LEU A 30 -4.443 2.074 5.867 1.00 0.00 C ATOM 440 O LEU A 30 -3.374 2.087 5.264 1.00 0.00 O ATOM 441 CB LEU A 30 -6.150 0.899 4.416 1.00 0.00 C ATOM 442 CG LEU A 30 -6.034 -0.402 3.609 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.668 -0.530 2.947 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.263 -1.631 4.482 1.00 0.00 C ATOM 0 H LEU A 30 -7.306 0.862 6.525 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.739 -0.013 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.201 1.093 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.789 1.728 3.807 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.808 -0.353 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.622 -1.463 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.512 0.310 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.891 -0.529 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.172 -2.531 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.520 -1.655 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.261 -1.587 4.918 1.00 0.00 H new ATOM 456 N ARG A 31 -4.826 3.090 6.649 1.00 0.00 N ATOM 457 CA ARG A 31 -3.983 4.257 6.833 1.00 0.00 C ATOM 458 C ARG A 31 -2.911 3.984 7.879 1.00 0.00 C ATOM 459 O ARG A 31 -1.730 4.123 7.579 1.00 0.00 O ATOM 460 CB ARG A 31 -4.834 5.452 7.256 1.00 0.00 C ATOM 461 CG ARG A 31 -3.973 6.687 7.573 1.00 0.00 C ATOM 462 CD ARG A 31 -2.999 7.043 6.445 1.00 0.00 C ATOM 463 NE ARG A 31 -2.203 8.222 6.808 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.332 9.440 6.277 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.233 9.698 5.329 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.536 10.415 6.701 1.00 0.00 N ATOM 0 H ARG A 31 -5.710 3.120 7.158 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.492 4.484 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.539 5.695 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.423 5.185 8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.626 7.539 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.410 6.505 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.339 6.198 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.552 7.239 5.527 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.490 8.100 7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.845 8.955 4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.310 10.638 4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.839 10.227 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.621 11.351 6.306 1.00 0.00 H new ATOM 480 N ARG A 32 -3.297 3.595 9.101 1.00 0.00 N ATOM 481 CA ARG A 32 -2.307 3.413 10.159 1.00 0.00 C ATOM 482 C ARG A 32 -1.425 2.192 9.890 1.00 0.00 C ATOM 483 O ARG A 32 -0.373 2.043 10.503 1.00 0.00 O ATOM 484 CB ARG A 32 -3.007 3.347 11.527 1.00 0.00 C ATOM 485 CG ARG A 32 -3.359 1.934 12.010 1.00 0.00 C ATOM 486 CD ARG A 32 -4.730 1.506 11.507 1.00 0.00 C ATOM 487 NE ARG A 32 -5.813 2.301 12.098 1.00 0.00 N ATOM 488 CZ ARG A 32 -6.330 2.106 13.313 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.853 1.150 14.112 1.00 0.00 N ATOM 490 NH2 ARG A 32 -7.330 2.872 13.739 1.00 0.00 N ATOM 0 H ARG A 32 -4.262 3.406 9.373 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.638 4.274 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.364 3.819 12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.923 3.936 11.478 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.604 1.229 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.343 1.905 13.099 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.763 1.602 10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.887 0.453 11.739 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.200 3.060 11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.085 0.558 13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.257 1.011 15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.701 3.607 13.137 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.726 2.724 14.667 1.00 0.00 H new ATOM 504 N VAL A 33 -1.859 1.326 8.974 1.00 0.00 N ATOM 505 CA VAL A 33 -1.156 0.094 8.637 1.00 0.00 C ATOM 506 C VAL A 33 -0.169 0.312 7.492 1.00 0.00 C ATOM 507 O VAL A 33 0.859 -0.360 7.448 1.00 0.00 O ATOM 508 CB VAL A 33 -2.199 -0.951 8.242 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.570 -2.197 7.630 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.012 -1.367 9.469 1.00 0.00 C ATOM 0 H VAL A 33 -2.718 1.464 8.441 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.581 -0.243 9.499 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.841 -0.489 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.353 -2.908 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.014 -1.921 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.892 -2.654 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.753 -2.112 9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.346 -1.791 10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.517 -0.495 9.883 1.00 0.00 H new ATOM 520 N PHE A 34 -0.457 1.236 6.571 1.00 0.00 N ATOM 521 CA PHE A 34 0.450 1.533 5.466 1.00 0.00 C ATOM 522 C PHE A 34 1.226 2.831 5.686 1.00 0.00 C ATOM 523 O PHE A 34 2.159 3.126 4.942 1.00 0.00 O ATOM 524 CB PHE A 34 -0.354 1.545 4.162 1.00 0.00 C ATOM 525 CG PHE A 34 -0.532 0.173 3.545 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.452 -0.725 4.098 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.222 -0.201 2.422 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.623 -1.992 3.526 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.055 -1.472 1.853 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.871 -2.365 2.406 1.00 0.00 C ATOM 0 H PHE A 34 -1.313 1.790 6.572 1.00 0.00 H new ATOM 0 HA PHE A 34 1.210 0.754 5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.336 1.977 4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.145 2.195 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.030 -0.441 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.932 0.491 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.337 -2.683 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.639 -1.761 0.991 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.005 -3.343 1.968 1.00 0.00 H new ATOM 540 N GLU A 35 0.861 3.617 6.699 1.00 0.00 N ATOM 541 CA GLU A 35 1.586 4.836 7.031 1.00 0.00 C ATOM 542 C GLU A 35 2.943 4.518 7.660 1.00 0.00 C ATOM 543 O GLU A 35 3.871 5.320 7.562 1.00 0.00 O ATOM 544 CB GLU A 35 0.731 5.663 7.990 1.00 0.00 C ATOM 545 CG GLU A 35 1.447 6.923 8.466 1.00 0.00 C ATOM 546 CD GLU A 35 0.489 7.853 9.206 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.336 7.665 10.435 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.084 8.744 8.542 1.00 0.00 O ATOM 0 H GLU A 35 0.063 3.427 7.305 1.00 0.00 H new ATOM 0 HA GLU A 35 1.777 5.402 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.199 5.942 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.463 5.053 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.273 6.650 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.878 7.445 7.612 1.00 0.00 H new ATOM 555 N LYS A 36 3.075 3.353 8.305 1.00 0.00 N ATOM 556 CA LYS A 36 4.311 2.990 8.991 1.00 0.00 C ATOM 557 C LYS A 36 5.459 2.730 8.022 1.00 0.00 C ATOM 558 O LYS A 36 6.624 2.857 8.400 1.00 0.00 O ATOM 559 CB LYS A 36 4.075 1.759 9.878 1.00 0.00 C ATOM 560 CG LYS A 36 3.721 0.511 9.063 1.00 0.00 C ATOM 561 CD LYS A 36 3.466 -0.664 10.009 1.00 0.00 C ATOM 562 CE LYS A 36 3.167 -1.922 9.195 1.00 0.00 C ATOM 563 NZ LYS A 36 2.939 -3.082 10.072 1.00 0.00 N ATOM 0 H LYS A 36 2.339 2.649 8.364 1.00 0.00 H new ATOM 0 HA LYS A 36 4.601 3.839 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.970 1.563 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.270 1.971 10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.836 0.700 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.533 0.269 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.336 -0.828 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.628 -0.438 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.288 -1.755 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.999 -2.129 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.738 -3.922 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.788 -3.254 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.130 -2.891 10.697 1.00 0.00 H new ATOM 577 N TYR A 37 5.138 2.373 6.778 1.00 0.00 N ATOM 578 CA TYR A 37 6.148 2.141 5.754 1.00 0.00 C ATOM 579 C TYR A 37 6.780 3.447 5.278 1.00 0.00 C ATOM 580 O TYR A 37 7.844 3.426 4.664 1.00 0.00 O ATOM 581 CB TYR A 37 5.525 1.382 4.585 1.00 0.00 C ATOM 582 CG TYR A 37 5.116 -0.018 4.971 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.869 -0.241 5.572 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.986 -1.093 4.740 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.500 -1.534 5.959 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.621 -2.391 5.129 1.00 0.00 C ATOM 587 CZ TYR A 37 4.378 -2.618 5.745 1.00 0.00 C ATOM 588 OH TYR A 37 4.027 -3.875 6.138 1.00 0.00 O ATOM 0 H TYR A 37 4.179 2.238 6.457 1.00 0.00 H new ATOM 0 HA TYR A 37 6.947 1.540 6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.653 1.927 4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.238 1.337 3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.193 0.585 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.939 -0.922 4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.540 -1.703 6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.296 -3.216 4.955 1.00 0.00 H new ATOM 0 HH TYR A 37 4.747 -4.501 5.914 1.00 0.00 H new ATOM 598 N GLY A 38 6.131 4.583 5.558 1.00 0.00 N ATOM 599 CA GLY A 38 6.702 5.884 5.244 1.00 0.00 C ATOM 600 C GLY A 38 5.647 6.981 5.325 1.00 0.00 C ATOM 601 O GLY A 38 5.564 7.694 6.327 1.00 0.00 O ATOM 0 H GLY A 38 5.213 4.621 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.514 6.105 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.133 5.863 4.243 1.00 0.00 H new ATOM 605 N ARG A 39 4.843 7.111 4.268 1.00 0.00 N ATOM 606 CA ARG A 39 3.746 8.065 4.219 1.00 0.00 C ATOM 607 C ARG A 39 2.763 7.709 3.114 1.00 0.00 C ATOM 608 O ARG A 39 3.046 6.877 2.255 1.00 0.00 O ATOM 609 CB ARG A 39 4.280 9.485 4.037 1.00 0.00 C ATOM 610 CG ARG A 39 5.329 9.600 2.933 1.00 0.00 C ATOM 611 CD ARG A 39 5.710 11.073 2.745 1.00 0.00 C ATOM 612 NE ARG A 39 6.418 11.599 3.917 1.00 0.00 N ATOM 613 CZ ARG A 39 7.719 11.408 4.153 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.471 10.718 3.301 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.273 11.913 5.249 1.00 0.00 N ATOM 0 H ARG A 39 4.939 6.552 3.420 1.00 0.00 H new ATOM 0 HA ARG A 39 3.211 8.019 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.448 10.152 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.713 9.826 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.211 9.015 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.938 9.192 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.340 11.177 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.811 11.663 2.567 1.00 0.00 H new ATOM 0 HE ARG A 39 5.884 12.144 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.056 10.327 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.463 10.579 3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.705 12.445 5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.266 11.769 5.431 1.00 0.00 H new ATOM 629 N VAL A 40 1.601 8.357 3.158 1.00 0.00 N ATOM 630 CA VAL A 40 0.492 8.101 2.252 1.00 0.00 C ATOM 631 C VAL A 40 -0.021 9.443 1.744 1.00 0.00 C ATOM 632 O VAL A 40 -0.120 10.401 2.508 1.00 0.00 O ATOM 633 CB VAL A 40 -0.598 7.343 3.023 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.838 7.127 2.159 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.089 5.976 3.476 1.00 0.00 C ATOM 0 H VAL A 40 1.404 9.089 3.840 1.00 0.00 H new ATOM 0 HA VAL A 40 0.798 7.495 1.399 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.857 7.952 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.592 6.588 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.239 8.092 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.570 6.546 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.877 5.456 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.199 5.388 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.775 6.107 4.127 1.00 0.00 H new ATOM 645 N GLY A 41 -0.346 9.514 0.453 1.00 0.00 N ATOM 646 CA GLY A 41 -0.816 10.744 -0.167 1.00 0.00 C ATOM 647 C GLY A 41 -2.338 10.777 -0.187 1.00 0.00 C ATOM 648 O GLY A 41 -2.934 11.855 -0.220 1.00 0.00 O ATOM 0 H GLY A 41 -0.290 8.722 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.434 11.605 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.430 10.817 -1.184 1.00 0.00 H new ATOM 652 N ASP A 42 -2.966 9.597 -0.165 1.00 0.00 N ATOM 653 CA ASP A 42 -4.406 9.474 -0.060 1.00 0.00 C ATOM 654 C ASP A 42 -4.784 8.056 0.365 1.00 0.00 C ATOM 655 O ASP A 42 -4.043 7.106 0.118 1.00 0.00 O ATOM 656 CB ASP A 42 -5.040 9.807 -1.412 1.00 0.00 C ATOM 657 CG ASP A 42 -6.558 9.918 -1.331 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.063 10.258 -0.239 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.207 9.665 -2.369 1.00 0.00 O ATOM 0 H ASP A 42 -2.479 8.702 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.775 10.170 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.629 10.747 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.773 9.036 -2.135 1.00 0.00 H new ATOM 664 N VAL A 43 -5.945 7.920 1.001 1.00 0.00 N ATOM 665 CA VAL A 43 -6.529 6.650 1.392 1.00 0.00 C ATOM 666 C VAL A 43 -8.031 6.869 1.367 1.00 0.00 C ATOM 667 O VAL A 43 -8.594 7.548 2.222 1.00 0.00 O ATOM 668 CB VAL A 43 -6.002 6.161 2.747 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.889 7.284 3.776 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.884 5.041 3.292 1.00 0.00 C ATOM 0 H VAL A 43 -6.520 8.720 1.265 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.250 5.848 0.708 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.996 5.781 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.511 6.880 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.204 8.047 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.871 7.727 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.495 4.707 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.902 5.409 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.886 4.206 2.591 1.00 0.00 H new ATOM 680 N TYR A 44 -8.675 6.283 0.358 1.00 0.00 N ATOM 681 CA TYR A 44 -10.045 6.617 0.031 1.00 0.00 C ATOM 682 C TYR A 44 -10.750 5.421 -0.607 1.00 0.00 C ATOM 683 O TYR A 44 -10.108 4.482 -1.074 1.00 0.00 O ATOM 684 CB TYR A 44 -9.929 7.820 -0.907 1.00 0.00 C ATOM 685 CG TYR A 44 -11.157 8.223 -1.681 1.00 0.00 C ATOM 686 CD1 TYR A 44 -12.221 8.882 -1.054 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.202 7.953 -3.053 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.335 9.272 -1.803 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.305 8.350 -3.816 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.379 9.012 -3.188 1.00 0.00 C ATOM 691 OH TYR A 44 -14.458 9.398 -3.915 1.00 0.00 O ATOM 0 H TYR A 44 -8.260 5.572 -0.245 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.652 6.863 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.609 8.678 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.134 7.612 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.181 9.089 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.380 7.435 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.162 9.772 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.333 8.151 -4.877 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.328 9.144 -4.853 1.00 0.00 H new ATOM 701 N ILE A 45 -12.084 5.459 -0.621 1.00 0.00 N ATOM 702 CA ILE A 45 -12.898 4.345 -1.084 1.00 0.00 C ATOM 703 C ILE A 45 -14.035 4.868 -1.962 1.00 0.00 C ATOM 704 O ILE A 45 -14.785 5.744 -1.534 1.00 0.00 O ATOM 705 CB ILE A 45 -13.459 3.592 0.138 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.288 3.176 1.038 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.279 2.363 -0.271 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.682 2.132 2.078 1.00 0.00 C ATOM 0 H ILE A 45 -12.626 6.266 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.292 3.661 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.134 4.257 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.483 2.779 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.895 4.057 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.655 1.863 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.118 2.676 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -13.648 1.675 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.813 1.877 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.467 2.535 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.048 1.237 1.575 1.00 0.00 H new ATOM 720 N PRO A 46 -14.174 4.337 -3.184 1.00 0.00 N ATOM 721 CA PRO A 46 -15.242 4.668 -4.114 1.00 0.00 C ATOM 722 C PRO A 46 -16.541 3.982 -3.699 1.00 0.00 C ATOM 723 O PRO A 46 -17.270 3.446 -4.535 1.00 0.00 O ATOM 724 CB PRO A 46 -14.747 4.177 -5.475 1.00 0.00 C ATOM 725 CG PRO A 46 -13.926 2.953 -5.099 1.00 0.00 C ATOM 726 CD PRO A 46 -13.282 3.359 -3.776 1.00 0.00 C ATOM 0 HA PRO A 46 -15.463 5.735 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.572 3.924 -6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.145 4.930 -5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.551 2.067 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.178 2.722 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.158 2.497 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.290 3.782 -3.938 1.00 0.00 H new ATOM 734 N ARG A 47 -16.824 3.997 -2.394 1.00 0.00 N ATOM 735 CA ARG A 47 -17.970 3.340 -1.782 1.00 0.00 C ATOM 736 C ARG A 47 -19.249 3.578 -2.585 1.00 0.00 C ATOM 737 O ARG A 47 -20.013 2.644 -2.822 1.00 0.00 O ATOM 738 CB ARG A 47 -18.094 3.894 -0.360 1.00 0.00 C ATOM 739 CG ARG A 47 -19.254 3.263 0.403 1.00 0.00 C ATOM 740 CD ARG A 47 -19.367 3.904 1.785 1.00 0.00 C ATOM 741 NE ARG A 47 -20.414 3.260 2.589 1.00 0.00 N ATOM 742 CZ ARG A 47 -21.714 3.543 2.501 1.00 0.00 C ATOM 743 NH1 ARG A 47 -22.170 4.442 1.639 1.00 0.00 N ATOM 744 NH2 ARG A 47 -22.580 2.917 3.296 1.00 0.00 N ATOM 0 H ARG A 47 -16.239 4.485 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.825 2.260 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.165 3.714 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.234 4.974 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.183 3.400 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.097 2.189 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.411 3.829 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.589 4.966 1.678 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.127 2.548 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.521 4.934 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.169 4.641 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.248 2.225 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.576 3.129 3.233 1.00 0.00 H new ATOM 758 N ASP A 48 -19.459 4.828 -3.001 1.00 0.00 N ATOM 759 CA ASP A 48 -20.588 5.269 -3.792 1.00 0.00 C ATOM 760 C ASP A 48 -20.432 6.756 -4.089 1.00 0.00 C ATOM 761 O ASP A 48 -19.631 7.453 -3.464 1.00 0.00 O ATOM 762 CB ASP A 48 -21.882 5.066 -3.005 1.00 0.00 C ATOM 763 CG ASP A 48 -21.970 5.987 -1.788 1.00 0.00 C ATOM 764 OD1 ASP A 48 -21.323 5.677 -0.764 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.691 7.004 -1.897 1.00 0.00 O ATOM 0 H ASP A 48 -18.813 5.587 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.626 4.695 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.735 5.249 -3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.947 4.028 -2.678 1.00 0.00 H new ATOM 770 N ARG A 49 -21.215 7.235 -5.054 1.00 0.00 N ATOM 771 CA ARG A 49 -21.373 8.658 -5.328 1.00 0.00 C ATOM 772 C ARG A 49 -22.859 8.983 -5.525 1.00 0.00 C ATOM 773 O ARG A 49 -23.230 10.146 -5.658 1.00 0.00 O ATOM 774 CB ARG A 49 -20.467 9.029 -6.522 1.00 0.00 C ATOM 775 CG ARG A 49 -21.196 9.730 -7.668 1.00 0.00 C ATOM 776 CD ARG A 49 -20.253 9.872 -8.859 1.00 0.00 C ATOM 777 NE ARG A 49 -19.263 10.928 -8.639 1.00 0.00 N ATOM 778 CZ ARG A 49 -18.761 11.713 -9.597 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.124 11.569 -10.870 1.00 0.00 N ATOM 780 NH2 ARG A 49 -17.883 12.657 -9.276 1.00 0.00 N ATOM 0 H ARG A 49 -21.763 6.637 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.051 9.274 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.664 9.676 -6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.000 8.122 -6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.079 9.159 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.543 10.712 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.743 8.925 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.830 10.095 -9.756 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.932 11.075 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.798 10.849 -11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.728 12.179 -11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.597 12.778 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.495 13.260 -10.001 1.00 0.00 H new ATOM 794 N TYR A 50 -23.708 7.945 -5.535 1.00 0.00 N ATOM 795 CA TYR A 50 -25.141 8.052 -5.771 1.00 0.00 C ATOM 796 C TYR A 50 -25.871 6.744 -5.436 1.00 0.00 C ATOM 797 O TYR A 50 -27.021 6.567 -5.833 1.00 0.00 O ATOM 798 CB TYR A 50 -25.374 8.389 -7.243 1.00 0.00 C ATOM 799 CG TYR A 50 -25.021 7.284 -8.220 1.00 0.00 C ATOM 800 CD1 TYR A 50 -23.698 6.834 -8.335 1.00 0.00 C ATOM 801 CD2 TYR A 50 -26.023 6.706 -9.014 1.00 0.00 C ATOM 802 CE1 TYR A 50 -23.370 5.810 -9.231 1.00 0.00 C ATOM 803 CE2 TYR A 50 -25.704 5.683 -9.917 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.376 5.229 -10.030 1.00 0.00 C ATOM 805 OH TYR A 50 -24.061 4.232 -10.906 1.00 0.00 O ATOM 0 H TYR A 50 -23.401 6.986 -5.374 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.536 8.835 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -26.424 8.650 -7.378 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -24.790 9.275 -7.494 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -22.926 7.281 -7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -27.043 7.050 -8.929 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -22.349 5.466 -9.310 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -26.478 5.242 -10.527 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.870 3.943 -11.377 1.00 0.00 H new ATOM 815 N THR A 51 -25.217 5.828 -4.715 1.00 0.00 N ATOM 816 CA THR A 51 -25.721 4.466 -4.546 1.00 0.00 C ATOM 817 C THR A 51 -25.773 3.988 -3.094 1.00 0.00 C ATOM 818 O THR A 51 -26.419 2.981 -2.810 1.00 0.00 O ATOM 819 CB THR A 51 -24.833 3.486 -5.323 1.00 0.00 C ATOM 820 OG1 THR A 51 -23.696 3.177 -4.554 1.00 0.00 O ATOM 821 CG2 THR A 51 -24.325 4.058 -6.643 1.00 0.00 C ATOM 0 H THR A 51 -24.334 6.009 -4.238 1.00 0.00 H new ATOM 0 HA THR A 51 -26.744 4.489 -4.922 1.00 0.00 H new ATOM 0 HB THR A 51 -25.451 2.612 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 51 -23.054 2.681 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 51 -23.703 3.317 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 -25.173 4.312 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 51 -23.736 4.954 -6.448 1.00 0.00 H new ATOM 828 N LYS A 52 -25.098 4.703 -2.188 1.00 0.00 N ATOM 829 CA LYS A 52 -24.889 4.327 -0.791 1.00 0.00 C ATOM 830 C LYS A 52 -24.522 2.848 -0.596 1.00 0.00 C ATOM 831 O LYS A 52 -24.743 2.282 0.473 1.00 0.00 O ATOM 832 CB LYS A 52 -26.042 4.801 0.112 1.00 0.00 C ATOM 833 CG LYS A 52 -27.394 4.136 -0.165 1.00 0.00 C ATOM 834 CD LYS A 52 -28.244 4.972 -1.126 1.00 0.00 C ATOM 835 CE LYS A 52 -29.543 4.243 -1.485 1.00 0.00 C ATOM 836 NZ LYS A 52 -30.402 4.038 -0.304 1.00 0.00 N ATOM 0 H LYS A 52 -24.665 5.597 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 52 -24.001 4.867 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -25.769 4.617 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -26.154 5.879 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -27.233 3.145 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -27.932 3.999 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -28.477 5.934 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -27.676 5.179 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -30.087 4.818 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -29.306 3.278 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -31.331 3.682 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -29.957 3.346 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -30.524 4.941 0.197 1.00 0.00 H new ATOM 850 N GLU A 53 -23.959 2.215 -1.635 1.00 0.00 N ATOM 851 CA GLU A 53 -23.459 0.852 -1.584 1.00 0.00 C ATOM 852 C GLU A 53 -22.104 0.809 -0.880 1.00 0.00 C ATOM 853 O GLU A 53 -21.776 1.691 -0.084 1.00 0.00 O ATOM 854 CB GLU A 53 -23.325 0.302 -3.010 1.00 0.00 C ATOM 855 CG GLU A 53 -24.698 0.010 -3.614 1.00 0.00 C ATOM 856 CD GLU A 53 -24.578 -0.535 -5.039 1.00 0.00 C ATOM 857 OE1 GLU A 53 -23.474 -0.433 -5.621 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.604 -1.054 -5.533 1.00 0.00 O ATOM 0 H GLU A 53 -23.841 2.653 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 53 -24.162 0.237 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.795 1.022 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.728 -0.610 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -25.225 -0.712 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -25.295 0.922 -3.621 1.00 0.00 H new ATOM 865 N SER A 54 -21.315 -0.225 -1.183 1.00 0.00 N ATOM 866 CA SER A 54 -19.958 -0.412 -0.702 1.00 0.00 C ATOM 867 C SER A 54 -19.195 -1.310 -1.663 1.00 0.00 C ATOM 868 O SER A 54 -19.784 -1.913 -2.559 1.00 0.00 O ATOM 869 CB SER A 54 -19.976 -1.097 0.658 1.00 0.00 C ATOM 870 OG SER A 54 -20.399 -0.197 1.662 1.00 0.00 O ATOM 0 H SER A 54 -21.623 -0.981 -1.795 1.00 0.00 H new ATOM 0 HA SER A 54 -19.481 0.565 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.644 -1.958 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.981 -1.473 0.895 1.00 0.00 H new ATOM 0 HG SER A 54 -20.772 0.607 1.244 1.00 0.00 H new ATOM 876 N ARG A 55 -17.878 -1.399 -1.470 1.00 0.00 N ATOM 877 CA ARG A 55 -16.999 -2.229 -2.266 1.00 0.00 C ATOM 878 C ARG A 55 -16.130 -3.072 -1.329 1.00 0.00 C ATOM 879 O ARG A 55 -16.338 -3.075 -0.115 1.00 0.00 O ATOM 880 CB ARG A 55 -16.148 -1.330 -3.169 1.00 0.00 C ATOM 881 CG ARG A 55 -16.972 -0.334 -3.994 1.00 0.00 C ATOM 882 CD ARG A 55 -17.902 -1.028 -4.991 1.00 0.00 C ATOM 883 NE ARG A 55 -18.783 -0.052 -5.656 1.00 0.00 N ATOM 884 CZ ARG A 55 -20.120 -0.118 -5.684 1.00 0.00 C ATOM 885 NH1 ARG A 55 -20.783 -1.092 -5.074 1.00 0.00 N ATOM 886 NH2 ARG A 55 -20.823 0.801 -6.339 1.00 0.00 N ATOM 0 H ARG A 55 -17.391 -0.881 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.571 -2.905 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.437 -0.779 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.566 -1.955 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.564 0.288 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.298 0.332 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.311 -1.558 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -18.505 -1.774 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.340 0.734 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -20.274 -1.816 -4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -21.802 -1.117 -5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -20.344 1.560 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -21.841 0.747 -6.358 1.00 0.00 H new ATOM 900 N GLY A 56 -15.158 -3.777 -1.897 1.00 0.00 N ATOM 901 CA GLY A 56 -14.294 -4.708 -1.182 1.00 0.00 C ATOM 902 C GLY A 56 -12.820 -4.328 -1.283 1.00 0.00 C ATOM 903 O GLY A 56 -11.951 -5.196 -1.247 1.00 0.00 O ATOM 0 H GLY A 56 -14.944 -3.715 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.587 -4.739 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.436 -5.712 -1.582 1.00 0.00 H new ATOM 907 N PHE A 57 -12.531 -3.032 -1.414 1.00 0.00 N ATOM 908 CA PHE A 57 -11.174 -2.518 -1.504 1.00 0.00 C ATOM 909 C PHE A 57 -11.138 -1.078 -0.999 1.00 0.00 C ATOM 910 O PHE A 57 -12.183 -0.472 -0.760 1.00 0.00 O ATOM 911 CB PHE A 57 -10.706 -2.590 -2.957 1.00 0.00 C ATOM 912 CG PHE A 57 -11.540 -1.763 -3.905 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.761 -2.261 -4.379 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.094 -0.498 -4.308 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.547 -1.486 -5.246 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.874 0.270 -5.183 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.100 -0.223 -5.649 1.00 0.00 C ATOM 0 H PHE A 57 -13.245 -2.306 -1.461 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.506 -3.119 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.670 -2.256 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.724 -3.630 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.098 -3.242 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.151 -0.115 -3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.494 -1.864 -5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.530 1.244 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.701 0.373 -6.320 1.00 0.00 H new ATOM 927 N ALA A 58 -9.930 -0.533 -0.845 1.00 0.00 N ATOM 928 CA ALA A 58 -9.719 0.843 -0.427 1.00 0.00 C ATOM 929 C ALA A 58 -8.474 1.365 -1.128 1.00 0.00 C ATOM 930 O ALA A 58 -7.362 1.052 -0.716 1.00 0.00 O ATOM 931 CB ALA A 58 -9.584 0.928 1.095 1.00 0.00 C ATOM 0 H ALA A 58 -9.064 -1.046 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.575 1.459 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.427 1.966 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.494 0.553 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.735 0.326 1.419 1.00 0.00 H new ATOM 937 N PHE A 59 -8.679 2.157 -2.184 1.00 0.00 N ATOM 938 CA PHE A 59 -7.611 2.643 -3.039 1.00 0.00 C ATOM 939 C PHE A 59 -6.731 3.608 -2.251 1.00 0.00 C ATOM 940 O PHE A 59 -6.992 4.810 -2.200 1.00 0.00 O ATOM 941 CB PHE A 59 -8.214 3.268 -4.305 1.00 0.00 C ATOM 942 CG PHE A 59 -7.239 3.988 -5.218 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.530 3.308 -6.229 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.059 5.371 -5.060 1.00 0.00 C ATOM 945 CE1 PHE A 59 -5.618 4.008 -7.037 1.00 0.00 C ATOM 946 CE2 PHE A 59 -6.163 6.069 -5.878 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.426 5.385 -6.853 1.00 0.00 C ATOM 0 H PHE A 59 -9.605 2.478 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.970 1.824 -3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.704 2.480 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.989 3.973 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.688 2.251 -6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.616 5.901 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.064 3.484 -7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.040 7.135 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.711 5.917 -7.462 1.00 0.00 H new ATOM 957 N VAL A 60 -5.676 3.073 -1.629 1.00 0.00 N ATOM 958 CA VAL A 60 -4.674 3.913 -0.985 1.00 0.00 C ATOM 959 C VAL A 60 -3.722 4.399 -2.066 1.00 0.00 C ATOM 960 O VAL A 60 -3.653 3.780 -3.128 1.00 0.00 O ATOM 961 CB VAL A 60 -3.927 3.138 0.102 1.00 0.00 C ATOM 962 CG1 VAL A 60 -2.915 4.007 0.841 1.00 0.00 C ATOM 963 CG2 VAL A 60 -4.937 2.632 1.128 1.00 0.00 C ATOM 0 H VAL A 60 -5.498 2.071 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.149 4.762 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.394 2.322 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.411 3.411 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.179 4.390 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.430 4.842 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.416 2.077 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.460 3.479 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.657 1.978 0.637 1.00 0.00 H new ATOM 973 N ARG A 61 -2.996 5.489 -1.807 1.00 0.00 N ATOM 974 CA ARG A 61 -2.087 6.075 -2.777 1.00 0.00 C ATOM 975 C ARG A 61 -0.805 6.546 -2.090 1.00 0.00 C ATOM 976 O ARG A 61 -0.879 7.225 -1.068 1.00 0.00 O ATOM 977 CB ARG A 61 -2.820 7.230 -3.470 1.00 0.00 C ATOM 978 CG ARG A 61 -2.063 7.688 -4.711 1.00 0.00 C ATOM 979 CD ARG A 61 -2.813 8.862 -5.331 1.00 0.00 C ATOM 980 NE ARG A 61 -2.405 9.061 -6.725 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.269 9.217 -7.731 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.578 9.297 -7.501 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.829 9.292 -8.982 1.00 0.00 N ATOM 0 H ARG A 61 -3.027 5.986 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.790 5.338 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.825 6.913 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.929 8.064 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.048 7.984 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.981 6.871 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.887 8.680 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.618 9.768 -4.757 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.408 9.081 -6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.933 9.239 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.226 9.416 -8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.829 9.230 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.491 9.411 -9.749 1.00 0.00 H new ATOM 997 N PHE A 62 0.367 6.197 -2.636 1.00 0.00 N ATOM 998 CA PHE A 62 1.644 6.615 -2.049 1.00 0.00 C ATOM 999 C PHE A 62 2.390 7.573 -2.957 1.00 0.00 C ATOM 1000 O PHE A 62 2.156 7.604 -4.163 1.00 0.00 O ATOM 1001 CB PHE A 62 2.568 5.427 -1.788 1.00 0.00 C ATOM 1002 CG PHE A 62 2.306 4.646 -0.522 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.072 4.012 -0.306 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.320 4.554 0.442 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.862 3.265 0.862 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.125 3.774 1.588 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.903 3.118 1.786 1.00 0.00 C ATOM 0 H PHE A 62 0.456 5.629 -3.479 1.00 0.00 H new ATOM 0 HA PHE A 62 1.388 7.104 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.495 4.743 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.595 5.791 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.284 4.100 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.250 5.084 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.098 2.806 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.915 3.678 2.318 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.763 2.495 2.657 1.00 0.00 H new ATOM 1017 N HIS A 63 3.297 8.350 -2.350 1.00 0.00 N ATOM 1018 CA HIS A 63 4.077 9.345 -3.071 1.00 0.00 C ATOM 1019 C HIS A 63 5.562 9.024 -3.137 1.00 0.00 C ATOM 1020 O HIS A 63 6.205 9.326 -4.140 1.00 0.00 O ATOM 1021 CB HIS A 63 3.876 10.752 -2.500 1.00 0.00 C ATOM 1022 CG HIS A 63 3.301 10.901 -1.106 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.511 10.105 -0.009 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.446 11.946 -0.747 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.791 10.667 1.018 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 2.175 11.766 0.556 1.00 0.00 N flip ATOM 0 H HIS A 63 3.504 8.302 -1.352 1.00 0.00 H new ATOM 0 HA HIS A 63 3.694 9.315 -4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.843 11.254 -2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.225 11.296 -3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.079 12.736 -1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.731 10.288 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.583 12.379 1.116 1.00 0.00 H new ATOM 1034 N ASP A 64 6.115 8.416 -2.089 1.00 0.00 N ATOM 1035 CA ASP A 64 7.514 8.023 -2.099 1.00 0.00 C ATOM 1036 C ASP A 64 7.681 6.749 -2.911 1.00 0.00 C ATOM 1037 O ASP A 64 6.987 5.761 -2.673 1.00 0.00 O ATOM 1038 CB ASP A 64 7.979 7.784 -0.670 1.00 0.00 C ATOM 1039 CG ASP A 64 8.394 9.091 -0.004 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.435 9.652 -0.420 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.668 9.521 0.916 1.00 0.00 O ATOM 0 H ASP A 64 5.616 8.188 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 64 8.112 8.815 -2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.178 7.318 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.818 7.089 -0.669 1.00 0.00 H new ATOM 1046 N LYS A 65 8.610 6.773 -3.871 1.00 0.00 N ATOM 1047 CA LYS A 65 8.894 5.621 -4.713 1.00 0.00 C ATOM 1048 C LYS A 65 9.453 4.479 -3.878 1.00 0.00 C ATOM 1049 O LYS A 65 8.966 3.357 -3.968 1.00 0.00 O ATOM 1050 CB LYS A 65 9.897 6.060 -5.781 1.00 0.00 C ATOM 1051 CG LYS A 65 10.410 4.935 -6.682 1.00 0.00 C ATOM 1052 CD LYS A 65 9.296 4.383 -7.572 1.00 0.00 C ATOM 1053 CE LYS A 65 8.602 3.163 -6.979 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.504 1.996 -6.945 1.00 0.00 N ATOM 0 H LYS A 65 9.181 7.591 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 65 7.981 5.259 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.431 6.822 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.749 6.529 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.224 5.307 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.819 4.133 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.557 5.165 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.713 4.119 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.261 3.391 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.717 2.924 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.943 1.122 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.160 2.041 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.045 2.001 -6.057 1.00 0.00 H new ATOM 1068 N ARG A 66 10.476 4.762 -3.062 1.00 0.00 N ATOM 1069 CA ARG A 66 11.168 3.727 -2.301 1.00 0.00 C ATOM 1070 C ARG A 66 10.280 3.114 -1.218 1.00 0.00 C ATOM 1071 O ARG A 66 10.449 1.945 -0.875 1.00 0.00 O ATOM 1072 CB ARG A 66 12.476 4.300 -1.747 1.00 0.00 C ATOM 1073 CG ARG A 66 12.288 5.422 -0.720 1.00 0.00 C ATOM 1074 CD ARG A 66 12.155 4.881 0.705 1.00 0.00 C ATOM 1075 NE ARG A 66 13.386 4.228 1.161 1.00 0.00 N ATOM 1076 CZ ARG A 66 13.477 3.542 2.303 1.00 0.00 C ATOM 1077 NH1 ARG A 66 12.428 3.405 3.107 1.00 0.00 N ATOM 1078 NH2 ARG A 66 14.633 2.981 2.648 1.00 0.00 N ATOM 0 H ARG A 66 10.840 5.703 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 66 11.412 2.899 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.046 3.493 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.073 4.679 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.136 6.105 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.399 5.999 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.906 5.699 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.330 4.170 0.747 1.00 0.00 H new ATOM 0 HE ARG A 66 14.217 4.302 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.534 3.827 2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.516 2.877 3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.447 3.075 2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.705 2.456 3.520 1.00 0.00 H new ATOM 1092 N ASP A 67 9.331 3.885 -0.678 1.00 0.00 N ATOM 1093 CA ASP A 67 8.447 3.371 0.354 1.00 0.00 C ATOM 1094 C ASP A 67 7.273 2.636 -0.280 1.00 0.00 C ATOM 1095 O ASP A 67 6.633 1.818 0.375 1.00 0.00 O ATOM 1096 CB ASP A 67 7.941 4.518 1.230 1.00 0.00 C ATOM 1097 CG ASP A 67 9.075 5.170 2.019 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.876 4.421 2.617 1.00 0.00 O ATOM 1099 OD2 ASP A 67 9.132 6.422 2.015 1.00 0.00 O ATOM 0 H ASP A 67 9.162 4.856 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 67 9.003 2.671 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.456 5.267 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.186 4.142 1.921 1.00 0.00 H new ATOM 1104 N ALA A 68 6.984 2.918 -1.555 1.00 0.00 N ATOM 1105 CA ALA A 68 5.900 2.255 -2.247 1.00 0.00 C ATOM 1106 C ALA A 68 6.317 0.837 -2.644 1.00 0.00 C ATOM 1107 O ALA A 68 5.523 -0.096 -2.535 1.00 0.00 O ATOM 1108 CB ALA A 68 5.549 3.082 -3.479 1.00 0.00 C ATOM 0 H ALA A 68 7.491 3.601 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 68 5.028 2.173 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.733 2.602 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.242 4.082 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.421 3.154 -4.129 1.00 0.00 H new ATOM 1114 N GLU A 69 7.560 0.671 -3.101 1.00 0.00 N ATOM 1115 CA GLU A 69 8.064 -0.640 -3.481 1.00 0.00 C ATOM 1116 C GLU A 69 8.432 -1.470 -2.252 1.00 0.00 C ATOM 1117 O GLU A 69 8.514 -2.690 -2.342 1.00 0.00 O ATOM 1118 CB GLU A 69 9.266 -0.507 -4.419 1.00 0.00 C ATOM 1119 CG GLU A 69 10.373 0.338 -3.793 1.00 0.00 C ATOM 1120 CD GLU A 69 11.632 0.321 -4.655 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.475 -0.579 -4.440 1.00 0.00 O ATOM 1122 OE2 GLU A 69 11.739 1.213 -5.529 1.00 0.00 O ATOM 0 H GLU A 69 8.231 1.430 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 69 7.267 -1.161 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.654 -1.497 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.948 -0.054 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.026 1.364 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.605 -0.041 -2.798 1.00 0.00 H new ATOM 1129 N ASP A 70 8.652 -0.837 -1.098 1.00 0.00 N ATOM 1130 CA ASP A 70 8.868 -1.602 0.120 1.00 0.00 C ATOM 1131 C ASP A 70 7.539 -2.143 0.646 1.00 0.00 C ATOM 1132 O ASP A 70 7.467 -3.290 1.082 1.00 0.00 O ATOM 1133 CB ASP A 70 9.538 -0.705 1.160 1.00 0.00 C ATOM 1134 CG ASP A 70 9.889 -1.488 2.423 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.718 -2.419 2.315 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.327 -1.146 3.486 1.00 0.00 O ATOM 0 H ASP A 70 8.684 0.176 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 70 9.517 -2.452 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.442 -0.267 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.873 0.120 1.414 1.00 0.00 H new ATOM 1141 N ALA A 71 6.478 -1.327 0.608 1.00 0.00 N ATOM 1142 CA ALA A 71 5.183 -1.742 1.121 1.00 0.00 C ATOM 1143 C ALA A 71 4.624 -2.925 0.332 1.00 0.00 C ATOM 1144 O ALA A 71 3.940 -3.776 0.901 1.00 0.00 O ATOM 1145 CB ALA A 71 4.216 -0.562 1.065 1.00 0.00 C ATOM 0 H ALA A 71 6.499 -0.381 0.227 1.00 0.00 H new ATOM 0 HA ALA A 71 5.306 -2.066 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.244 -0.870 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.604 0.255 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.109 -0.228 0.033 1.00 0.00 H new ATOM 1151 N MET A 72 4.900 -3.001 -0.975 1.00 0.00 N ATOM 1152 CA MET A 72 4.419 -4.128 -1.762 1.00 0.00 C ATOM 1153 C MET A 72 5.258 -5.360 -1.462 1.00 0.00 C ATOM 1154 O MET A 72 4.742 -6.467 -1.328 1.00 0.00 O ATOM 1155 CB MET A 72 4.452 -3.788 -3.254 1.00 0.00 C ATOM 1156 CG MET A 72 5.844 -3.924 -3.875 1.00 0.00 C ATOM 1157 SD MET A 72 5.903 -3.558 -5.646 1.00 0.00 S ATOM 1158 CE MET A 72 5.091 -1.943 -5.611 1.00 0.00 C ATOM 0 H MET A 72 5.441 -2.310 -1.495 1.00 0.00 H new ATOM 0 HA MET A 72 3.385 -4.341 -1.491 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.760 -4.442 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.097 -2.767 -3.395 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.529 -3.255 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.205 -4.940 -3.713 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.322 -1.400 -6.528 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.013 -2.080 -5.532 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.449 -1.374 -4.753 1.00 0.00 H new ATOM 1168 N ASP A 73 6.570 -5.151 -1.352 1.00 0.00 N ATOM 1169 CA ASP A 73 7.532 -6.206 -1.075 1.00 0.00 C ATOM 1170 C ASP A 73 7.494 -6.636 0.396 1.00 0.00 C ATOM 1171 O ASP A 73 8.268 -7.503 0.795 1.00 0.00 O ATOM 1172 CB ASP A 73 8.931 -5.715 -1.463 1.00 0.00 C ATOM 1173 CG ASP A 73 9.973 -6.831 -1.394 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.759 -7.868 -2.061 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.977 -6.633 -0.675 1.00 0.00 O ATOM 0 H ASP A 73 6.996 -4.230 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 73 7.272 -7.084 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.904 -5.307 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.226 -4.903 -0.799 1.00 0.00 H new ATOM 1180 N ALA A 74 6.608 -6.044 1.212 1.00 0.00 N ATOM 1181 CA ALA A 74 6.573 -6.341 2.632 1.00 0.00 C ATOM 1182 C ALA A 74 5.174 -6.653 3.159 1.00 0.00 C ATOM 1183 O ALA A 74 5.046 -7.027 4.326 1.00 0.00 O ATOM 1184 CB ALA A 74 7.149 -5.143 3.375 1.00 0.00 C ATOM 0 H ALA A 74 5.914 -5.362 0.905 1.00 0.00 H new ATOM 0 HA ALA A 74 7.162 -7.243 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.135 -5.339 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.176 -4.973 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.549 -4.259 3.160 1.00 0.00 H new ATOM 1190 N MET A 75 4.127 -6.511 2.337 1.00 0.00 N ATOM 1191 CA MET A 75 2.789 -6.854 2.806 1.00 0.00 C ATOM 1192 C MET A 75 1.887 -7.543 1.784 1.00 0.00 C ATOM 1193 O MET A 75 0.981 -8.270 2.186 1.00 0.00 O ATOM 1194 CB MET A 75 2.085 -5.586 3.279 1.00 0.00 C ATOM 1195 CG MET A 75 1.117 -5.959 4.397 1.00 0.00 C ATOM 1196 SD MET A 75 -0.118 -4.698 4.788 1.00 0.00 S ATOM 1197 CE MET A 75 0.990 -3.332 5.199 1.00 0.00 C ATOM 0 H MET A 75 4.180 -6.172 1.376 1.00 0.00 H new ATOM 0 HA MET A 75 2.947 -7.577 3.606 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.814 -4.859 3.636 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.548 -5.120 2.453 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.601 -6.878 4.119 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.691 -6.176 5.298 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.404 -2.431 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.561 -3.583 6.093 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.674 -3.156 4.369 1.00 0.00 H new ATOM 1207 N ASP A 76 2.093 -7.345 0.480 1.00 0.00 N ATOM 1208 CA ASP A 76 1.199 -7.958 -0.490 1.00 0.00 C ATOM 1209 C ASP A 76 1.258 -9.481 -0.406 1.00 0.00 C ATOM 1210 O ASP A 76 2.328 -10.074 -0.268 1.00 0.00 O ATOM 1211 CB ASP A 76 1.521 -7.455 -1.901 1.00 0.00 C ATOM 1212 CG ASP A 76 1.210 -8.489 -2.979 1.00 0.00 C ATOM 1213 OD1 ASP A 76 0.004 -8.696 -3.245 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.174 -9.068 -3.527 1.00 0.00 O ATOM 0 H ASP A 76 2.847 -6.783 0.085 1.00 0.00 H new ATOM 0 HA ASP A 76 0.176 -7.664 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.950 -6.548 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.576 -7.186 -1.955 1.00 0.00 H new ATOM 1219 N GLY A 77 0.080 -10.106 -0.489 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.057 -11.555 -0.491 1.00 0.00 C ATOM 1221 C GLY A 77 0.197 -12.190 0.876 1.00 0.00 C ATOM 1222 O GLY A 77 0.276 -13.414 0.969 1.00 0.00 O ATOM 0 H GLY A 77 -0.809 -9.611 -0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.061 -11.817 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.640 -11.978 -1.215 1.00 0.00 H new ATOM 1226 N ALA A 78 0.323 -11.385 1.938 1.00 0.00 N ATOM 1227 CA ALA A 78 0.617 -11.893 3.276 1.00 0.00 C ATOM 1228 C ALA A 78 -0.645 -12.366 3.998 1.00 0.00 C ATOM 1229 O ALA A 78 -0.730 -12.316 5.226 1.00 0.00 O ATOM 1230 CB ALA A 78 1.342 -10.807 4.071 1.00 0.00 C ATOM 0 H ALA A 78 0.224 -10.371 1.891 1.00 0.00 H new ATOM 0 HA ALA A 78 1.262 -12.767 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.566 -11.177 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.271 -10.545 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.707 -9.924 4.144 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.623 -12.823 3.218 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.953 -13.188 3.640 1.00 0.00 C ATOM 1238 C VAL A 79 -2.997 -14.409 4.552 1.00 0.00 C ATOM 1239 O VAL A 79 -1.971 -15.045 4.794 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.757 -13.414 2.367 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -3.560 -12.239 1.406 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.435 -14.732 1.668 1.00 0.00 C ATOM 0 H VAL A 79 -1.489 -12.952 2.215 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.373 -12.388 4.250 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.803 -13.477 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.139 -12.410 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.896 -11.318 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.504 -12.151 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.045 -14.826 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.380 -14.750 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.650 -15.562 2.340 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.192 -14.745 5.060 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.317 -15.896 5.957 1.00 0.00 C ATOM 1254 C LEU A 80 -5.615 -16.693 5.792 1.00 0.00 C ATOM 1255 O LEU A 80 -5.802 -17.693 6.482 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.146 -15.449 7.419 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.438 -14.948 8.079 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.129 -14.515 9.511 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.054 -13.767 7.336 1.00 0.00 C ATOM 0 H LEU A 80 -5.063 -14.249 4.870 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.517 -16.580 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.755 -16.285 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.399 -14.656 7.460 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.156 -15.768 8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.042 -14.157 9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.736 -15.363 10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.389 -13.715 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.965 -13.452 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.345 -12.939 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.293 -14.064 6.315 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.511 -16.272 4.892 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.788 -16.957 4.719 1.00 0.00 C ATOM 1273 C ASP A 81 -8.232 -16.986 3.253 1.00 0.00 C ATOM 1274 O ASP A 81 -9.324 -17.455 2.937 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.831 -16.283 5.610 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.149 -17.053 5.645 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.112 -18.254 5.999 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.187 -16.433 5.316 1.00 0.00 O ATOM 0 H ASP A 81 -6.374 -15.468 4.280 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.674 -17.999 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.438 -16.195 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.014 -15.271 5.249 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.378 -16.481 2.359 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.650 -16.430 0.932 1.00 0.00 C ATOM 1285 C GLY A 82 -7.295 -15.059 0.384 1.00 0.00 C ATOM 1286 O GLY A 82 -6.957 -14.927 -0.792 1.00 0.00 O ATOM 0 H GLY A 82 -6.470 -16.093 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.073 -17.197 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.703 -16.644 0.746 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.361 -14.026 1.232 1.00 0.00 N ATOM 1291 CA ARG A 83 -6.963 -12.684 0.859 1.00 0.00 C ATOM 1292 C ARG A 83 -6.615 -11.878 2.104 1.00 0.00 C ATOM 1293 O ARG A 83 -7.030 -12.227 3.207 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.114 -11.995 0.130 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.045 -11.328 1.141 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.085 -10.498 0.414 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.091 -11.338 -0.244 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.341 -11.360 -1.558 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.663 -10.602 -2.412 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.297 -12.159 -2.027 1.00 0.00 N ATOM 0 H ARG A 83 -7.693 -14.108 2.193 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.091 -12.743 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.723 -11.251 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.668 -12.723 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.534 -12.086 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.469 -10.695 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.576 -9.830 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.594 -9.870 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.645 -11.956 0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.929 -9.981 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.876 -10.641 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.831 -12.746 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.496 -12.184 -3.027 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.860 -10.805 1.894 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.655 -9.739 2.858 1.00 0.00 C ATOM 1316 C GLU A 84 -5.156 -8.486 2.141 1.00 0.00 C ATOM 1317 O GLU A 84 -5.630 -7.390 2.432 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.734 -10.051 4.042 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.393 -10.926 5.108 1.00 0.00 C ATOM 1320 CD GLU A 84 -4.736 -10.688 6.461 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -3.549 -11.057 6.604 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -5.428 -10.136 7.348 1.00 0.00 O ATOM 0 H GLU A 84 -5.359 -10.652 1.019 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.637 -9.592 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.838 -10.552 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.412 -9.115 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.458 -10.700 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.305 -11.977 4.832 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.202 -8.638 1.209 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.609 -7.507 0.498 1.00 0.00 C ATOM 1331 C LEU A 85 -3.391 -7.797 -0.977 1.00 0.00 C ATOM 1332 O LEU A 85 -3.232 -8.948 -1.380 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.204 -7.198 1.037 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.079 -6.525 2.403 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -3.003 -5.318 2.505 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.344 -7.498 3.542 1.00 0.00 C ATOM 0 H LEU A 85 -3.826 -9.545 0.932 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.311 -6.686 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.651 -8.136 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.701 -6.563 0.307 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.049 -6.181 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.894 -4.858 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.741 -4.593 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.036 -5.638 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.245 -6.978 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.354 -7.899 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.624 -8.315 3.498 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.388 -6.710 -1.755 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.933 -6.641 -3.135 1.00 0.00 C ATOM 1350 C ARG A 86 -2.501 -5.199 -3.368 1.00 0.00 C ATOM 1351 O ARG A 86 -3.337 -4.303 -3.461 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.025 -7.041 -4.135 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.233 -8.553 -4.231 1.00 0.00 C ATOM 1354 CD ARG A 86 -2.912 -9.265 -4.532 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.111 -10.701 -4.721 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.143 -11.605 -4.560 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.917 -11.241 -4.190 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.396 -12.896 -4.771 1.00 0.00 N ATOM 0 H ARG A 86 -3.723 -5.809 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.116 -7.345 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.964 -6.570 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.765 -6.654 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.648 -8.928 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.958 -8.776 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.462 -8.837 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.212 -9.098 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.039 -11.029 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.705 -10.257 -4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.190 -11.946 -4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.329 -13.193 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.656 -13.587 -4.648 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.187 -4.976 -3.457 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.615 -3.642 -3.605 1.00 0.00 C ATOM 1374 C VAL A 87 0.454 -3.647 -4.692 1.00 0.00 C ATOM 1375 O VAL A 87 1.370 -4.463 -4.674 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.099 -3.134 -2.251 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.671 -4.187 -1.470 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.809 -1.920 -2.426 1.00 0.00 C ATOM 0 H VAL A 87 -0.491 -5.721 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.385 -2.941 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.993 -2.868 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.008 -3.764 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.023 -5.042 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.535 -4.511 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.158 -1.583 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.665 -2.192 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.253 -1.117 -2.909 1.00 0.00 H new ATOM 1388 N GLN A 88 0.299 -2.711 -5.631 1.00 0.00 N ATOM 1389 CA GLN A 88 1.118 -2.535 -6.821 1.00 0.00 C ATOM 1390 C GLN A 88 0.986 -1.087 -7.277 1.00 0.00 C ATOM 1391 O GLN A 88 0.351 -0.266 -6.615 1.00 0.00 O ATOM 1392 CB GLN A 88 0.627 -3.458 -7.947 1.00 0.00 C ATOM 1393 CG GLN A 88 1.080 -4.906 -7.770 1.00 0.00 C ATOM 1394 CD GLN A 88 2.598 -5.031 -7.789 1.00 0.00 C ATOM 1395 OE1 GLN A 88 3.233 -4.881 -8.830 1.00 0.00 O ATOM 1396 NE2 GLN A 88 3.197 -5.302 -6.631 1.00 0.00 N ATOM 0 H GLN A 88 -0.447 -2.018 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 88 2.155 -2.780 -6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.462 -3.426 -7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.993 -3.083 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.695 -5.294 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.655 -5.519 -8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.640 -5.421 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.212 -5.391 -6.591 1.00 0.00 H new ATOM 1405 N MET A 89 1.593 -0.779 -8.418 1.00 0.00 N ATOM 1406 CA MET A 89 1.618 0.567 -8.959 1.00 0.00 C ATOM 1407 C MET A 89 0.331 0.848 -9.725 1.00 0.00 C ATOM 1408 O MET A 89 -0.199 -0.032 -10.404 1.00 0.00 O ATOM 1409 CB MET A 89 2.843 0.675 -9.860 1.00 0.00 C ATOM 1410 CG MET A 89 4.073 0.521 -8.960 1.00 0.00 C ATOM 1411 SD MET A 89 4.472 2.032 -8.050 1.00 0.00 S ATOM 1412 CE MET A 89 5.767 1.377 -6.975 1.00 0.00 C ATOM 0 H MET A 89 2.083 -1.463 -8.994 1.00 0.00 H new ATOM 0 HA MET A 89 1.682 1.309 -8.163 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.827 -0.099 -10.628 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.860 1.635 -10.376 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.899 -0.289 -8.251 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.929 0.233 -9.570 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.251 2.198 -6.447 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.327 0.690 -6.252 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.506 0.847 -7.576 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.173 2.076 -9.615 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.399 2.477 -10.285 1.00 0.00 C ATOM 1424 C ALA A 90 -1.205 2.549 -11.796 1.00 0.00 C ATOM 1425 O ALA A 90 -0.086 2.734 -12.274 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.829 3.845 -9.755 1.00 0.00 C ATOM 0 H ALA A 90 0.258 2.815 -9.060 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.169 1.733 -10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.748 4.155 -10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.001 3.781 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.045 4.575 -9.954 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.301 2.407 -12.549 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.322 2.517 -14.005 1.00 0.00 C ATOM 1434 C ARG A 91 -3.547 3.306 -14.464 1.00 0.00 C ATOM 1435 O ARG A 91 -3.832 3.358 -15.660 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.339 1.123 -14.646 1.00 0.00 C ATOM 1437 CG ARG A 91 -1.088 0.281 -14.381 1.00 0.00 C ATOM 1438 CD ARG A 91 0.102 0.704 -15.246 1.00 0.00 C ATOM 1439 NE ARG A 91 0.672 1.987 -14.814 1.00 0.00 N ATOM 1440 CZ ARG A 91 1.441 2.769 -15.574 1.00 0.00 C ATOM 1441 NH1 ARG A 91 1.762 2.412 -16.815 1.00 0.00 N ATOM 1442 NH2 ARG A 91 1.896 3.921 -15.091 1.00 0.00 N ATOM 0 H ARG A 91 -3.218 2.208 -12.150 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.421 3.044 -14.320 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.210 0.580 -14.279 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.463 1.235 -15.723 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.815 0.364 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.314 -0.768 -14.570 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.872 -0.066 -15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.216 0.781 -16.286 1.00 0.00 H new ATOM 0 HE ARG A 91 0.465 2.302 -13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.419 1.530 -17.197 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.351 3.020 -17.384 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.657 4.206 -14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.484 4.520 -15.670 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.272 3.915 -13.521 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.457 4.714 -13.810 1.00 0.00 C ATOM 1458 C TYR A 92 -5.353 6.061 -13.103 1.00 0.00 C ATOM 1459 O TYR A 92 -4.400 6.284 -12.352 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.727 3.965 -13.398 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.930 2.605 -14.031 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.697 2.404 -15.401 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -7.366 1.536 -13.232 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.881 1.134 -15.967 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -7.557 0.264 -13.790 1.00 0.00 C ATOM 1466 CZ TYR A 92 -7.310 0.058 -15.163 1.00 0.00 C ATOM 1467 OH TYR A 92 -7.492 -1.174 -15.715 1.00 0.00 O ATOM 0 H TYR A 92 -4.047 3.864 -12.527 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.516 4.891 -14.884 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.717 3.842 -12.315 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.588 4.589 -13.640 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.376 3.229 -16.020 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.556 1.695 -12.181 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.694 0.980 -17.019 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.892 -0.555 -13.171 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.788 -1.802 -15.023 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.315 6.963 -13.328 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.248 8.322 -12.809 1.00 0.00 C ATOM 1479 C GLY A 93 -7.490 8.721 -12.016 1.00 0.00 C ATOM 1480 O GLY A 93 -8.455 7.959 -11.928 1.00 0.00 O ATOM 0 H GLY A 93 -7.155 6.767 -13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.370 8.418 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.116 9.016 -13.639 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.452 9.927 -11.439 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.524 10.474 -10.618 1.00 0.00 C ATOM 1486 C ARG A 94 -9.822 10.626 -11.421 1.00 0.00 C ATOM 1487 O ARG A 94 -9.762 10.727 -12.647 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.067 11.823 -10.046 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.806 12.851 -11.149 1.00 0.00 C ATOM 1490 CD ARG A 94 -7.318 14.161 -10.533 1.00 0.00 C ATOM 1491 NE ARG A 94 -7.088 15.181 -11.564 1.00 0.00 N ATOM 1492 CZ ARG A 94 -6.681 16.426 -11.304 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -6.455 16.823 -10.054 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -6.493 17.288 -12.300 1.00 0.00 N ATOM 0 H ARG A 94 -6.657 10.558 -11.535 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.738 9.785 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.828 12.206 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.159 11.680 -9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.062 12.468 -11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.718 13.025 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.054 14.525 -9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.395 13.984 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.249 14.923 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.592 16.173 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.144 17.777 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.660 16.998 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.182 18.239 -12.100 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.984 10.645 -10.744 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.318 10.718 -11.320 1.00 0.00 C ATOM 1510 C PRO A 95 -12.458 11.403 -12.680 1.00 0.00 C ATOM 1511 O PRO A 95 -12.576 12.629 -12.734 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.144 11.394 -10.232 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.594 10.718 -8.977 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.100 10.586 -9.292 1.00 0.00 C ATOM 0 HA PRO A 95 -12.656 9.715 -11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.997 12.474 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.212 11.219 -10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.768 11.319 -8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.058 9.747 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.531 11.389 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.703 9.647 -8.908 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.450 10.635 -13.778 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.777 11.128 -15.106 1.00 0.00 C ATOM 1524 C PRO A 96 -14.291 11.101 -15.318 1.00 0.00 C ATOM 1525 O PRO A 96 -14.831 11.871 -16.110 1.00 0.00 O ATOM 1526 CB PRO A 96 -12.122 10.125 -16.051 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.255 8.806 -15.291 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.134 9.215 -13.823 1.00 0.00 C ATOM 0 HA PRO A 96 -12.438 12.152 -15.263 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.628 10.089 -17.016 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.079 10.375 -16.247 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.211 8.322 -15.494 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.474 8.101 -15.575 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.821 8.642 -13.200 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.129 9.026 -13.446 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.966 10.204 -14.596 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.406 9.996 -14.628 1.00 0.00 C ATOM 1538 C ASP A 97 -16.797 9.312 -13.311 1.00 0.00 C ATOM 1539 O ASP A 97 -15.927 9.101 -12.464 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.765 9.125 -15.839 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.272 9.018 -16.032 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -18.884 10.043 -16.412 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -18.798 7.908 -15.799 1.00 0.00 O ATOM 0 H ASP A 97 -14.496 9.576 -13.944 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.947 10.937 -14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.313 9.546 -16.737 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.344 8.128 -15.708 1.00 0.00 H new ATOM 1548 N SER A 98 -18.070 8.968 -13.115 1.00 0.00 N ATOM 1549 CA SER A 98 -18.488 8.368 -11.853 1.00 0.00 C ATOM 1550 C SER A 98 -17.914 6.979 -11.630 1.00 0.00 C ATOM 1551 O SER A 98 -17.696 6.616 -10.482 1.00 0.00 O ATOM 1552 CB SER A 98 -20.001 8.203 -11.778 1.00 0.00 C ATOM 1553 OG SER A 98 -20.650 9.437 -12.005 1.00 0.00 O ATOM 0 H SER A 98 -18.815 9.092 -13.801 1.00 0.00 H new ATOM 0 HA SER A 98 -18.117 9.059 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 98 -20.329 7.472 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 98 -20.281 7.814 -10.799 1.00 0.00 H new ATOM 0 HG SER A 98 -21.620 9.310 -11.955 1.00 0.00 H new