USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 776 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 41 MET CE :methyl 175:sc= -3.71! (180deg=-3.35!) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -0.364 USER MOD Set 2.1: A 28 MET CE :methyl 152:sc= -29.3! (180deg=-27.2!) USER MOD Set 2.2: A 80 MET CE :methyl -171:sc= -14.7! (180deg=-14.1!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= -0.178 USER MOD Single : A 21 MET CE :methyl 145:sc= -1.16 (180deg=-4.34!) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00503 USER MOD Single : A 29 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 33 SER OG : rot -146:sc= -0.122 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.61! C(o=-5.6!,f=-6.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 63 HIS : no HD1:sc= -15.1! C(o=-15!,f=-20!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -107:sc= 0.977 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -1.69 (180deg=-1.73) USER MOD Single : A 83 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.13) USER MOD Single : A 88 HIS : no HD1:sc= -13.2! C(o=-13!,f=-9.3!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.433 K(o=-0.43,f=-3.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -10:sc= 1.88 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 165:sc= -4.66! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 -1.009 9.814 -5.039 1.00 0.00 N ATOM 2 CA GLU A 12 0.168 9.271 -5.689 1.00 0.00 C ATOM 3 C GLU A 12 0.950 10.390 -6.363 1.00 0.00 C ATOM 4 O GLU A 12 0.366 11.359 -6.841 1.00 0.00 O ATOM 5 CB GLU A 12 -0.257 8.218 -6.708 1.00 0.00 C ATOM 6 CG GLU A 12 0.776 8.150 -7.829 1.00 0.00 C ATOM 7 CD GLU A 12 0.563 9.273 -8.833 1.00 0.00 C ATOM 8 OE1 GLU A 12 1.491 10.101 -8.963 1.00 0.00 O ATOM 9 OE2 GLU A 12 -0.523 9.284 -9.452 1.00 0.00 O ATOM 0 HA GLU A 12 0.814 8.801 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.350 7.245 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.237 8.466 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.779 8.218 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.707 7.187 -8.335 1.00 0.00 H new ATOM 17 N ALA A 13 2.278 10.251 -6.401 1.00 0.00 N ATOM 18 CA ALA A 13 3.133 11.247 -7.014 1.00 0.00 C ATOM 19 C ALA A 13 4.567 11.058 -6.538 1.00 0.00 C ATOM 20 O ALA A 13 5.485 10.971 -7.350 1.00 0.00 O ATOM 21 CB ALA A 13 2.624 12.641 -6.659 1.00 0.00 C ATOM 0 H ALA A 13 2.777 9.452 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 13 3.113 11.133 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.267 13.391 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.605 12.761 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.636 12.768 -5.577 1.00 0.00 H new ATOM 27 N PRO A 14 4.756 10.996 -5.218 1.00 0.00 N ATOM 28 CA PRO A 14 6.046 10.819 -4.587 1.00 0.00 C ATOM 29 C PRO A 14 6.524 9.389 -4.795 1.00 0.00 C ATOM 30 O PRO A 14 7.646 9.047 -4.426 1.00 0.00 O ATOM 31 CB PRO A 14 5.800 11.104 -3.107 1.00 0.00 C ATOM 32 CG PRO A 14 4.345 10.676 -2.917 1.00 0.00 C ATOM 33 CD PRO A 14 3.698 11.095 -4.236 1.00 0.00 C ATOM 0 HA PRO A 14 6.814 11.474 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.476 10.535 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.946 12.157 -2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.257 9.603 -2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.884 11.174 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.861 10.444 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.306 12.110 -4.179 1.00 0.00 H new ATOM 41 N LEU A 15 5.669 8.551 -5.386 1.00 0.00 N ATOM 42 CA LEU A 15 6.006 7.165 -5.638 1.00 0.00 C ATOM 43 C LEU A 15 5.668 6.804 -7.078 1.00 0.00 C ATOM 44 O LEU A 15 5.092 7.612 -7.803 1.00 0.00 O ATOM 45 CB LEU A 15 5.244 6.271 -4.664 1.00 0.00 C ATOM 46 CG LEU A 15 4.812 7.092 -3.453 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.766 6.316 -2.658 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.023 7.369 -2.567 1.00 0.00 C ATOM 0 H LEU A 15 4.735 8.819 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 15 7.075 7.015 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.371 5.841 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.874 5.440 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 15 4.385 8.037 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.458 6.903 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.900 6.119 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.192 5.371 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.714 7.956 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.452 6.425 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.769 7.925 -3.134 1.00 0.00 H new ATOM 60 N THR A 16 6.026 5.586 -7.490 1.00 0.00 N ATOM 61 CA THR A 16 5.757 5.129 -8.839 1.00 0.00 C ATOM 62 C THR A 16 5.556 3.621 -8.845 1.00 0.00 C ATOM 63 O THR A 16 4.624 3.118 -9.469 1.00 0.00 O ATOM 64 CB THR A 16 6.916 5.524 -9.750 1.00 0.00 C ATOM 65 OG1 THR A 16 7.527 6.693 -9.252 1.00 0.00 O ATOM 66 CG2 THR A 16 6.390 5.786 -11.158 1.00 0.00 C ATOM 0 H THR A 16 6.503 4.903 -6.901 1.00 0.00 H new ATOM 0 HA THR A 16 4.845 5.597 -9.209 1.00 0.00 H new ATOM 0 HB THR A 16 7.647 4.716 -9.780 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.272 6.947 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.218 6.068 -11.809 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.917 4.883 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.659 6.594 -11.129 1.00 0.00 H new ATOM 74 N VAL A 17 6.436 2.898 -8.147 1.00 0.00 N ATOM 75 CA VAL A 17 6.353 1.454 -8.075 1.00 0.00 C ATOM 76 C VAL A 17 7.644 0.892 -7.497 1.00 0.00 C ATOM 77 O VAL A 17 7.626 -0.122 -6.803 1.00 0.00 O ATOM 78 CB VAL A 17 6.094 0.889 -9.469 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.112 -0.206 -9.772 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.685 0.304 -9.526 1.00 0.00 C ATOM 0 H VAL A 17 7.214 3.300 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 17 5.529 1.166 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 17 6.188 1.685 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.927 -0.609 -10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.118 0.211 -9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.019 -1.003 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.499 -0.100 -10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.592 -0.493 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.957 1.086 -9.310 1.00 0.00 H new ATOM 90 N LYS A 18 8.767 1.555 -7.783 1.00 0.00 N ATOM 91 CA LYS A 18 10.058 1.119 -7.290 1.00 0.00 C ATOM 92 C LYS A 18 10.386 1.839 -5.990 1.00 0.00 C ATOM 93 O LYS A 18 11.346 1.487 -5.308 1.00 0.00 O ATOM 94 CB LYS A 18 11.124 1.395 -8.346 1.00 0.00 C ATOM 95 CG LYS A 18 10.769 0.656 -9.633 1.00 0.00 C ATOM 96 CD LYS A 18 12.009 0.545 -10.515 1.00 0.00 C ATOM 97 CE LYS A 18 11.585 0.353 -11.968 1.00 0.00 C ATOM 98 NZ LYS A 18 12.755 0.309 -12.859 1.00 0.00 N ATOM 0 H LYS A 18 8.799 2.398 -8.356 1.00 0.00 H new ATOM 0 HA LYS A 18 10.032 0.048 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.194 2.466 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.100 1.071 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.385 -0.337 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.979 1.187 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.618 1.444 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.625 -0.294 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.015 -0.571 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.925 1.167 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.439 0.178 -13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.284 1.201 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.371 -0.483 -12.585 1.00 0.00 H new ATOM 112 N SER A 19 9.586 2.852 -5.649 1.00 0.00 N ATOM 113 CA SER A 19 9.796 3.614 -4.435 1.00 0.00 C ATOM 114 C SER A 19 10.157 2.676 -3.292 1.00 0.00 C ATOM 115 O SER A 19 9.556 1.615 -3.142 1.00 0.00 O ATOM 116 CB SER A 19 8.532 4.404 -4.107 1.00 0.00 C ATOM 117 OG SER A 19 8.781 5.781 -4.277 1.00 0.00 O ATOM 0 H SER A 19 8.787 3.157 -6.204 1.00 0.00 H new ATOM 0 HA SER A 19 10.620 4.313 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.715 4.089 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.221 4.204 -3.082 1.00 0.00 H new ATOM 0 HG SER A 19 8.343 6.284 -3.559 1.00 0.00 H new ATOM 123 N ASP A 20 11.144 3.071 -2.483 1.00 0.00 N ATOM 124 CA ASP A 20 11.580 2.266 -1.360 1.00 0.00 C ATOM 125 C ASP A 20 10.375 1.619 -0.692 1.00 0.00 C ATOM 126 O ASP A 20 9.508 2.314 -0.165 1.00 0.00 O ATOM 127 CB ASP A 20 12.341 3.144 -0.371 1.00 0.00 C ATOM 128 CG ASP A 20 13.844 2.965 -0.530 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.346 1.928 -0.044 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.462 3.868 -1.133 1.00 0.00 O ATOM 0 H ASP A 20 11.652 3.948 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 20 12.245 1.476 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.077 4.190 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.046 2.891 0.647 1.00 0.00 H new ATOM 136 N MET A 21 10.321 0.286 -0.713 1.00 0.00 N ATOM 137 CA MET A 21 9.222 -0.443 -0.111 1.00 0.00 C ATOM 138 C MET A 21 8.884 0.158 1.246 1.00 0.00 C ATOM 139 O MET A 21 7.713 0.272 1.603 1.00 0.00 O ATOM 140 CB MET A 21 9.604 -1.913 0.030 1.00 0.00 C ATOM 141 CG MET A 21 9.161 -2.676 -1.216 1.00 0.00 C ATOM 142 SD MET A 21 10.486 -2.958 -2.416 1.00 0.00 S ATOM 143 CE MET A 21 10.196 -1.542 -3.505 1.00 0.00 C ATOM 0 H MET A 21 11.032 -0.305 -1.144 1.00 0.00 H new ATOM 0 HA MET A 21 8.341 -0.369 -0.748 1.00 0.00 H new ATOM 0 HB2 MET A 21 10.682 -2.008 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.134 -2.339 0.916 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.748 -3.638 -0.913 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.357 -2.123 -1.701 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.149 -1.170 -3.880 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.571 -1.850 -4.343 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.692 -0.752 -2.948 1.00 0.00 H new ATOM 153 N SER A 22 9.914 0.543 2.002 1.00 0.00 N ATOM 154 CA SER A 22 9.721 1.130 3.313 1.00 0.00 C ATOM 155 C SER A 22 9.036 2.483 3.177 1.00 0.00 C ATOM 156 O SER A 22 8.222 2.856 4.019 1.00 0.00 O ATOM 157 CB SER A 22 11.072 1.275 4.008 1.00 0.00 C ATOM 158 OG SER A 22 11.674 2.489 3.616 1.00 0.00 O ATOM 0 H SER A 22 10.890 0.455 1.720 1.00 0.00 H new ATOM 0 HA SER A 22 9.085 0.482 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.941 1.254 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.718 0.436 3.749 1.00 0.00 H new ATOM 0 HG SER A 22 12.541 2.584 4.063 1.00 0.00 H new ATOM 164 N ALA A 23 9.367 3.217 2.113 1.00 0.00 N ATOM 165 CA ALA A 23 8.784 4.522 1.872 1.00 0.00 C ATOM 166 C ALA A 23 7.326 4.367 1.466 1.00 0.00 C ATOM 167 O ALA A 23 6.494 5.208 1.801 1.00 0.00 O ATOM 168 CB ALA A 23 9.576 5.238 0.783 1.00 0.00 C ATOM 0 H ALA A 23 10.040 2.921 1.406 1.00 0.00 H new ATOM 0 HA ALA A 23 8.825 5.118 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.139 6.220 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.611 5.356 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.545 4.651 -0.135 1.00 0.00 H new ATOM 174 N ILE A 24 7.017 3.290 0.741 1.00 0.00 N ATOM 175 CA ILE A 24 5.663 3.029 0.294 1.00 0.00 C ATOM 176 C ILE A 24 4.770 2.746 1.493 1.00 0.00 C ATOM 177 O ILE A 24 3.774 3.435 1.704 1.00 0.00 O ATOM 178 CB ILE A 24 5.666 1.846 -0.671 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.271 2.277 -2.004 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.234 1.368 -0.893 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.476 3.453 -2.567 1.00 0.00 C ATOM 0 H ILE A 24 7.696 2.586 0.454 1.00 0.00 H new ATOM 0 HA ILE A 24 5.272 3.904 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 24 6.259 1.035 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.314 2.562 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.257 1.445 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.235 0.523 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.802 1.059 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.641 2.179 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.908 3.761 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.439 3.152 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.513 4.286 -1.865 1.00 0.00 H new ATOM 193 N VAL A 25 5.129 1.729 2.280 1.00 0.00 N ATOM 194 CA VAL A 25 4.360 1.361 3.452 1.00 0.00 C ATOM 195 C VAL A 25 4.180 2.575 4.352 1.00 0.00 C ATOM 196 O VAL A 25 3.105 2.782 4.910 1.00 0.00 O ATOM 197 CB VAL A 25 5.075 0.237 4.196 1.00 0.00 C ATOM 198 CG1 VAL A 25 5.976 0.832 5.274 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.043 -0.681 4.845 1.00 0.00 C ATOM 0 H VAL A 25 5.952 1.149 2.119 1.00 0.00 H new ATOM 0 HA VAL A 25 3.374 1.008 3.149 1.00 0.00 H new ATOM 0 HB VAL A 25 5.680 -0.336 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.487 0.029 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.714 1.487 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.372 1.406 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.554 -1.484 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.437 -0.108 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.400 -1.107 4.075 1.00 0.00 H new ATOM 209 N ARG A 26 5.238 3.378 4.492 1.00 0.00 N ATOM 210 CA ARG A 26 5.192 4.564 5.322 1.00 0.00 C ATOM 211 C ARG A 26 4.061 5.473 4.861 1.00 0.00 C ATOM 212 O ARG A 26 3.236 5.898 5.667 1.00 0.00 O ATOM 213 CB ARG A 26 6.533 5.289 5.245 1.00 0.00 C ATOM 214 CG ARG A 26 7.138 5.388 6.642 1.00 0.00 C ATOM 215 CD ARG A 26 8.468 4.640 6.674 1.00 0.00 C ATOM 216 NE ARG A 26 9.319 5.128 7.760 1.00 0.00 N ATOM 217 CZ ARG A 26 10.054 6.244 7.660 1.00 0.00 C ATOM 218 NH1 ARG A 26 10.027 6.965 6.531 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.815 6.640 8.689 1.00 0.00 N ATOM 0 H ARG A 26 6.136 3.219 4.035 1.00 0.00 H new ATOM 0 HA ARG A 26 5.005 4.281 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.211 4.753 4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.396 6.285 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.290 6.433 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.453 4.966 7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.286 3.573 6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.982 4.764 5.721 1.00 0.00 H new ATOM 0 HE ARG A 26 9.354 4.596 8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.447 6.664 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.586 7.814 6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.835 6.092 9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.374 7.490 8.612 1.00 0.00 H new ATOM 233 N VAL A 27 4.024 5.770 3.560 1.00 0.00 N ATOM 234 CA VAL A 27 2.997 6.624 3.000 1.00 0.00 C ATOM 235 C VAL A 27 1.622 6.090 3.374 1.00 0.00 C ATOM 236 O VAL A 27 0.839 6.783 4.020 1.00 0.00 O ATOM 237 CB VAL A 27 3.159 6.686 1.484 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.221 7.746 0.914 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.602 7.045 1.141 1.00 0.00 C ATOM 0 H VAL A 27 4.701 5.425 2.879 1.00 0.00 H new ATOM 0 HA VAL A 27 3.096 7.631 3.404 1.00 0.00 H new ATOM 0 HB VAL A 27 2.914 5.715 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.337 7.790 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.190 7.489 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.465 8.717 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.718 7.089 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.848 8.015 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.272 6.287 1.547 1.00 0.00 H new ATOM 249 N MET A 28 1.329 4.852 2.968 1.00 0.00 N ATOM 250 CA MET A 28 0.051 4.236 3.263 1.00 0.00 C ATOM 251 C MET A 28 -0.251 4.355 4.750 1.00 0.00 C ATOM 252 O MET A 28 -1.411 4.457 5.144 1.00 0.00 O ATOM 253 CB MET A 28 0.083 2.771 2.835 1.00 0.00 C ATOM 254 CG MET A 28 0.484 2.680 1.365 1.00 0.00 C ATOM 255 SD MET A 28 1.649 1.342 1.003 1.00 0.00 S ATOM 256 CE MET A 28 0.744 -0.038 1.746 1.00 0.00 C ATOM 0 H MET A 28 1.967 4.263 2.433 1.00 0.00 H new ATOM 0 HA MET A 28 -0.738 4.747 2.711 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.791 2.216 3.451 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.896 2.316 2.985 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.413 2.540 0.762 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.928 3.628 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.004 -0.963 1.231 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.010 -0.122 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.328 0.139 1.655 1.00 0.00 H new ATOM 266 N GLN A 29 0.798 4.342 5.576 1.00 0.00 N ATOM 267 CA GLN A 29 0.640 4.447 7.013 1.00 0.00 C ATOM 268 C GLN A 29 0.116 5.830 7.375 1.00 0.00 C ATOM 269 O GLN A 29 -0.770 5.960 8.216 1.00 0.00 O ATOM 270 CB GLN A 29 1.981 4.183 7.691 1.00 0.00 C ATOM 271 CG GLN A 29 1.997 2.764 8.253 1.00 0.00 C ATOM 272 CD GLN A 29 3.377 2.407 8.786 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.904 1.339 8.482 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.961 3.304 9.583 1.00 0.00 N ATOM 0 H GLN A 29 1.766 4.259 5.265 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.080 3.706 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.794 4.311 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.144 4.904 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.260 2.676 9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.709 2.057 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.482 4.177 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.886 3.117 9.969 1.00 0.00 H new ATOM 283 N LEU A 30 0.667 6.865 6.736 1.00 0.00 N ATOM 284 CA LEU A 30 0.253 8.230 6.992 1.00 0.00 C ATOM 285 C LEU A 30 -1.255 8.285 7.188 1.00 0.00 C ATOM 286 O LEU A 30 -1.998 7.587 6.501 1.00 0.00 O ATOM 287 CB LEU A 30 0.680 9.117 5.826 1.00 0.00 C ATOM 288 CG LEU A 30 2.201 9.232 5.805 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.641 9.935 4.523 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.668 10.039 7.013 1.00 0.00 C ATOM 0 H LEU A 30 1.403 6.774 6.036 1.00 0.00 H new ATOM 0 HA LEU A 30 0.730 8.594 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.323 8.697 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.231 10.105 5.924 1.00 0.00 H new ATOM 0 HG LEU A 30 2.640 8.235 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.728 10.017 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.309 9.359 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.201 10.932 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.755 10.121 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.228 11.036 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.355 9.537 7.929 1.00 0.00 H new ATOM 302 N PRO A 31 -1.706 9.118 8.128 1.00 0.00 N ATOM 303 CA PRO A 31 -3.105 9.303 8.451 1.00 0.00 C ATOM 304 C PRO A 31 -3.788 10.080 7.335 1.00 0.00 C ATOM 305 O PRO A 31 -4.991 10.324 7.393 1.00 0.00 O ATOM 306 CB PRO A 31 -3.103 10.102 9.753 1.00 0.00 C ATOM 307 CG PRO A 31 -1.817 10.921 9.646 1.00 0.00 C ATOM 308 CD PRO A 31 -0.861 9.953 8.954 1.00 0.00 C ATOM 0 HA PRO A 31 -3.644 8.362 8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.983 10.740 9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.096 9.451 10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.963 11.831 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.447 11.225 10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.125 10.487 8.353 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.307 9.358 9.680 1.00 0.00 H new ATOM 316 N ASP A 32 -3.017 10.470 6.318 1.00 0.00 N ATOM 317 CA ASP A 32 -3.550 11.218 5.197 1.00 0.00 C ATOM 318 C ASP A 32 -2.866 10.777 3.911 1.00 0.00 C ATOM 319 O ASP A 32 -2.379 11.609 3.149 1.00 0.00 O ATOM 320 CB ASP A 32 -3.340 12.711 5.438 1.00 0.00 C ATOM 321 CG ASP A 32 -1.942 12.984 5.972 1.00 0.00 C ATOM 322 OD1 ASP A 32 -1.040 12.186 5.636 1.00 0.00 O ATOM 323 OD2 ASP A 32 -1.800 13.986 6.706 1.00 0.00 O ATOM 0 H ASP A 32 -2.018 10.275 6.256 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.619 11.026 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.491 13.258 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.082 13.077 6.147 1.00 0.00 H new ATOM 329 N SER A 33 -2.830 9.465 3.672 1.00 0.00 N ATOM 330 CA SER A 33 -2.207 8.923 2.481 1.00 0.00 C ATOM 331 C SER A 33 -3.275 8.395 1.534 1.00 0.00 C ATOM 332 O SER A 33 -3.226 8.652 0.333 1.00 0.00 O ATOM 333 CB SER A 33 -1.237 7.812 2.875 1.00 0.00 C ATOM 334 OG SER A 33 -1.642 7.250 4.103 1.00 0.00 O ATOM 0 H SER A 33 -3.229 8.762 4.295 1.00 0.00 H new ATOM 0 HA SER A 33 -1.651 9.708 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.213 7.044 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.226 8.210 2.961 1.00 0.00 H new ATOM 0 HG SER A 33 -0.852 6.983 4.617 1.00 0.00 H new ATOM 340 N GLY A 34 -4.245 7.655 2.077 1.00 0.00 N ATOM 341 CA GLY A 34 -5.317 7.099 1.275 1.00 0.00 C ATOM 342 C GLY A 34 -5.708 5.724 1.798 1.00 0.00 C ATOM 343 O GLY A 34 -6.869 5.331 1.713 1.00 0.00 O ATOM 0 H GLY A 34 -4.303 7.432 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.181 7.764 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.001 7.024 0.235 1.00 0.00 H new ATOM 347 N LEU A 35 -4.732 4.991 2.341 1.00 0.00 N ATOM 348 CA LEU A 35 -4.977 3.666 2.875 1.00 0.00 C ATOM 349 C LEU A 35 -5.318 3.760 4.355 1.00 0.00 C ATOM 350 O LEU A 35 -6.384 3.318 4.778 1.00 0.00 O ATOM 351 CB LEU A 35 -3.743 2.795 2.659 1.00 0.00 C ATOM 352 CG LEU A 35 -4.022 1.383 3.165 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.505 1.066 2.997 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.193 0.383 2.365 1.00 0.00 C ATOM 0 H LEU A 35 -3.764 5.302 2.418 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.822 3.212 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.484 2.769 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.888 3.219 3.186 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.754 1.315 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.705 0.057 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.097 1.780 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.774 1.134 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.392 -0.626 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.460 0.450 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.134 0.609 2.486 1.00 0.00 H new ATOM 366 N GLU A 36 -4.409 4.338 5.144 1.00 0.00 N ATOM 367 CA GLU A 36 -4.621 4.486 6.570 1.00 0.00 C ATOM 368 C GLU A 36 -4.573 3.123 7.246 1.00 0.00 C ATOM 369 O GLU A 36 -5.537 2.363 7.184 1.00 0.00 O ATOM 370 CB GLU A 36 -5.965 5.165 6.815 1.00 0.00 C ATOM 371 CG GLU A 36 -5.745 6.468 7.577 1.00 0.00 C ATOM 372 CD GLU A 36 -6.396 7.638 6.852 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.888 7.985 5.764 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.390 8.163 7.400 1.00 0.00 O ATOM 0 H GLU A 36 -3.520 4.709 4.810 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.832 5.106 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.461 5.366 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.620 4.505 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.160 6.381 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.677 6.653 7.688 1.00 0.00 H new ATOM 382 N ILE A 37 -3.448 2.817 7.895 1.00 0.00 N ATOM 383 CA ILE A 37 -3.278 1.552 8.582 1.00 0.00 C ATOM 384 C ILE A 37 -3.490 1.746 10.077 1.00 0.00 C ATOM 385 O ILE A 37 -2.610 2.253 10.769 1.00 0.00 O ATOM 386 CB ILE A 37 -1.883 1.003 8.298 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.525 1.252 6.836 1.00 0.00 C ATOM 388 CG2 ILE A 37 -1.861 -0.497 8.579 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.313 0.292 5.949 1.00 0.00 C ATOM 0 H ILE A 37 -2.641 3.438 7.955 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.015 0.835 8.221 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.158 1.504 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.752 2.283 6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.455 1.110 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.865 -0.891 8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.116 -0.675 9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.586 -0.998 7.938 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.058 0.469 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.064 -0.736 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.381 0.456 6.094 1.00 0.00 H new ATOM 401 N ARG A 38 -4.660 1.339 10.574 1.00 0.00 N ATOM 402 CA ARG A 38 -4.981 1.471 11.981 1.00 0.00 C ATOM 403 C ARG A 38 -6.408 1.005 12.230 1.00 0.00 C ATOM 404 O ARG A 38 -6.709 0.458 13.289 1.00 0.00 O ATOM 405 CB ARG A 38 -4.805 2.925 12.408 1.00 0.00 C ATOM 406 CG ARG A 38 -3.602 3.040 13.339 1.00 0.00 C ATOM 407 CD ARG A 38 -2.689 4.163 12.855 1.00 0.00 C ATOM 408 NE ARG A 38 -1.784 4.600 13.918 1.00 0.00 N ATOM 409 CZ ARG A 38 -0.644 5.260 13.675 1.00 0.00 C ATOM 410 NH1 ARG A 38 -0.291 5.546 12.415 1.00 0.00 N ATOM 411 NH2 ARG A 38 0.145 5.632 14.693 1.00 0.00 N ATOM 0 H ARG A 38 -5.398 0.914 10.013 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.308 0.849 12.571 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.662 3.558 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.704 3.278 12.913 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.935 3.241 14.357 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.055 2.097 13.362 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.110 3.821 11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.292 5.006 12.517 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.032 4.393 14.886 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.890 5.261 11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.577 6.049 12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.123 5.412 15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.013 6.135 14.508 1.00 0.00 H new ATOM 425 N ASP A 39 -7.289 1.221 11.250 1.00 0.00 N ATOM 426 CA ASP A 39 -8.677 0.823 11.368 1.00 0.00 C ATOM 427 C ASP A 39 -9.228 0.463 9.996 1.00 0.00 C ATOM 428 O ASP A 39 -8.941 1.141 9.012 1.00 0.00 O ATOM 429 CB ASP A 39 -9.480 1.962 11.992 1.00 0.00 C ATOM 430 CG ASP A 39 -8.675 2.665 13.075 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.012 1.942 13.849 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.737 3.913 13.109 1.00 0.00 O ATOM 0 H ASP A 39 -7.055 1.672 10.366 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.755 -0.054 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.762 2.678 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.404 1.570 12.417 1.00 0.00 H new ATOM 438 N ARG A 40 -10.022 -0.609 9.933 1.00 0.00 N ATOM 439 CA ARG A 40 -10.607 -1.054 8.684 1.00 0.00 C ATOM 440 C ARG A 40 -11.850 -1.887 8.964 1.00 0.00 C ATOM 441 O ARG A 40 -12.220 -2.083 10.120 1.00 0.00 O ATOM 442 CB ARG A 40 -9.578 -1.865 7.902 1.00 0.00 C ATOM 443 CG ARG A 40 -8.693 -0.920 7.095 1.00 0.00 C ATOM 444 CD ARG A 40 -8.668 -1.367 5.636 1.00 0.00 C ATOM 445 NE ARG A 40 -8.649 -0.216 4.734 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.764 0.400 4.319 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.962 -0.033 4.733 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.681 1.451 3.491 1.00 0.00 N ATOM 0 H ARG A 40 -10.270 -1.181 10.740 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.900 -0.190 8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.969 -2.456 8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.081 -2.566 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.071 0.100 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.682 -0.915 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.790 -1.988 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.542 -1.983 5.426 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.748 0.133 4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.025 -0.832 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.811 0.436 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.769 1.782 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.530 1.920 3.175 1.00 0.00 H new ATOM 462 N MET A 41 -12.494 -2.378 7.904 1.00 0.00 N ATOM 463 CA MET A 41 -13.690 -3.185 8.044 1.00 0.00 C ATOM 464 C MET A 41 -13.522 -4.496 7.290 1.00 0.00 C ATOM 465 O MET A 41 -12.926 -4.525 6.215 1.00 0.00 O ATOM 466 CB MET A 41 -14.891 -2.407 7.514 1.00 0.00 C ATOM 467 CG MET A 41 -15.234 -1.278 8.481 1.00 0.00 C ATOM 468 SD MET A 41 -17.005 -0.924 8.601 1.00 0.00 S ATOM 469 CE MET A 41 -17.546 -2.434 9.440 1.00 0.00 C ATOM 0 H MET A 41 -12.200 -2.226 6.939 1.00 0.00 H new ATOM 0 HA MET A 41 -13.856 -3.415 9.096 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.667 -2.000 6.528 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.746 -3.073 7.398 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.857 -1.535 9.471 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.714 -0.373 8.166 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.606 -2.357 9.680 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.383 -3.291 8.787 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.975 -2.564 10.359 1.00 0.00 H new ATOM 479 N TRP A 42 -14.050 -5.584 7.856 1.00 0.00 N ATOM 480 CA TRP A 42 -13.956 -6.888 7.232 1.00 0.00 C ATOM 481 C TRP A 42 -14.975 -7.834 7.851 1.00 0.00 C ATOM 482 O TRP A 42 -15.113 -7.889 9.071 1.00 0.00 O ATOM 483 CB TRP A 42 -12.540 -7.431 7.402 1.00 0.00 C ATOM 484 CG TRP A 42 -12.294 -8.760 6.762 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.822 -9.856 7.396 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.498 -9.161 5.373 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.720 -10.899 6.501 1.00 0.00 N ATOM 488 CE2 TRP A 42 -12.124 -10.525 5.236 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.960 -8.511 4.215 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -12.204 -11.207 4.018 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -13.044 -9.186 2.988 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.667 -10.530 2.887 1.00 0.00 C ATOM 0 H TRP A 42 -14.546 -5.578 8.747 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.173 -6.801 6.167 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.837 -6.709 6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.323 -7.511 8.467 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.564 -9.907 8.444 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.387 -11.832 6.744 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.255 -7.474 4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.911 -12.245 3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.403 -8.664 2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.734 -11.042 1.938 1.00 0.00 H new ATOM 503 N LEU A 43 -15.689 -8.581 7.006 1.00 0.00 N ATOM 504 CA LEU A 43 -16.689 -9.520 7.472 1.00 0.00 C ATOM 505 C LEU A 43 -17.866 -8.764 8.072 1.00 0.00 C ATOM 506 O LEU A 43 -18.592 -9.302 8.906 1.00 0.00 O ATOM 507 CB LEU A 43 -16.066 -10.456 8.503 1.00 0.00 C ATOM 508 CG LEU A 43 -15.669 -11.765 7.827 1.00 0.00 C ATOM 509 CD1 LEU A 43 -14.148 -11.855 7.745 1.00 0.00 C ATOM 510 CD2 LEU A 43 -16.205 -12.941 8.639 1.00 0.00 C ATOM 0 H LEU A 43 -15.586 -8.547 5.992 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.053 -10.115 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.191 -9.987 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.774 -10.650 9.308 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.090 -11.796 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.864 -12.790 7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.765 -11.016 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.727 -11.823 8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.921 -13.876 8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.785 -12.910 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.292 -12.878 8.697 1.00 0.00 H new ATOM 522 N LYS A 44 -18.055 -7.513 7.646 1.00 0.00 N ATOM 523 CA LYS A 44 -19.141 -6.693 8.143 1.00 0.00 C ATOM 524 C LYS A 44 -18.866 -6.286 9.584 1.00 0.00 C ATOM 525 O LYS A 44 -19.783 -5.916 10.313 1.00 0.00 O ATOM 526 CB LYS A 44 -20.451 -7.470 8.043 1.00 0.00 C ATOM 527 CG LYS A 44 -20.953 -7.435 6.602 1.00 0.00 C ATOM 528 CD LYS A 44 -22.336 -6.791 6.560 1.00 0.00 C ATOM 529 CE LYS A 44 -23.296 -7.590 7.437 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.210 -8.400 6.618 1.00 0.00 N ATOM 0 H LYS A 44 -17.463 -7.052 6.955 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.222 -5.788 7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.300 -8.501 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.196 -7.036 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.259 -6.872 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.998 -8.446 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.280 -5.760 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.704 -6.760 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -22.729 -8.239 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.871 -6.910 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.852 -8.933 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.766 -7.777 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.659 -9.064 6.037 1.00 0.00 H new ATOM 544 N ILE A 45 -17.597 -6.356 9.992 1.00 0.00 N ATOM 545 CA ILE A 45 -17.204 -5.994 11.340 1.00 0.00 C ATOM 546 C ILE A 45 -16.204 -4.847 11.294 1.00 0.00 C ATOM 547 O ILE A 45 -15.860 -4.364 10.218 1.00 0.00 O ATOM 548 CB ILE A 45 -16.603 -7.210 12.038 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.171 -8.485 11.420 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.950 -7.167 13.523 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.509 -9.701 12.061 1.00 0.00 C ATOM 0 H ILE A 45 -16.826 -6.663 9.399 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.078 -5.665 11.903 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.520 -7.199 11.917 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.250 -8.524 11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.998 -8.489 10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.521 -8.036 14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.544 -6.257 13.965 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.033 -7.177 13.644 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.915 -10.611 11.619 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.433 -9.663 11.889 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.705 -9.699 13.133 1.00 0.00 H new ATOM 563 N THR A 46 -15.736 -4.413 12.467 1.00 0.00 N ATOM 564 CA THR A 46 -14.779 -3.328 12.549 1.00 0.00 C ATOM 565 C THR A 46 -13.531 -3.792 13.287 1.00 0.00 C ATOM 566 O THR A 46 -13.616 -4.600 14.209 1.00 0.00 O ATOM 567 CB THR A 46 -15.418 -2.140 13.263 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.416 -1.579 12.440 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.352 -1.089 13.557 1.00 0.00 C ATOM 0 H THR A 46 -16.010 -4.803 13.369 1.00 0.00 H new ATOM 0 HA THR A 46 -14.488 -3.020 11.545 1.00 0.00 H new ATOM 0 HB THR A 46 -15.864 -2.476 14.199 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.828 -0.817 12.898 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.808 -0.241 14.067 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.580 -1.522 14.193 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.905 -0.752 12.622 1.00 0.00 H new ATOM 577 N ILE A 47 -12.369 -3.277 12.879 1.00 0.00 N ATOM 578 CA ILE A 47 -11.111 -3.636 13.500 1.00 0.00 C ATOM 579 C ILE A 47 -10.283 -2.383 13.750 1.00 0.00 C ATOM 580 O ILE A 47 -10.522 -1.347 13.133 1.00 0.00 O ATOM 581 CB ILE A 47 -10.359 -4.611 12.598 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.221 -5.846 12.352 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.056 -5.027 13.275 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.901 -5.728 10.991 1.00 0.00 C ATOM 0 H ILE A 47 -12.283 -2.606 12.115 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.299 -4.120 14.458 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.137 -4.128 11.646 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.606 -6.745 12.386 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.970 -5.942 13.138 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.518 -5.723 12.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.440 -4.145 13.451 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.278 -5.510 14.227 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.517 -6.610 10.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.529 -4.837 10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.143 -5.653 10.211 1.00 0.00 H new ATOM 596 N ALA A 48 -9.309 -2.480 14.658 1.00 0.00 N ATOM 597 CA ALA A 48 -8.455 -1.356 14.985 1.00 0.00 C ATOM 598 C ALA A 48 -7.026 -1.652 14.550 1.00 0.00 C ATOM 599 O ALA A 48 -6.089 -1.460 15.322 1.00 0.00 O ATOM 600 CB ALA A 48 -8.519 -1.089 16.485 1.00 0.00 C ATOM 0 H ALA A 48 -9.099 -3.333 15.177 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.799 -0.467 14.457 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.877 -0.244 16.732 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.546 -0.860 16.770 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.180 -1.972 17.027 1.00 0.00 H new ATOM 606 N ASN A 49 -6.861 -2.121 13.311 1.00 0.00 N ATOM 607 CA ASN A 49 -5.550 -2.439 12.784 1.00 0.00 C ATOM 608 C ASN A 49 -5.665 -3.534 11.733 1.00 0.00 C ATOM 609 O ASN A 49 -5.660 -4.718 12.064 1.00 0.00 O ATOM 610 CB ASN A 49 -4.638 -2.879 13.926 1.00 0.00 C ATOM 611 CG ASN A 49 -5.386 -3.770 14.907 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.280 -4.515 14.513 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.017 -3.693 16.187 1.00 0.00 N ATOM 0 H ASN A 49 -7.628 -2.286 12.659 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.120 -1.556 12.311 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.779 -3.415 13.524 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.252 -2.003 14.446 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.484 -4.269 16.888 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.268 -3.058 16.465 1.00 0.00 H new ATOM 620 N ALA A 50 -5.768 -3.136 10.463 1.00 0.00 N ATOM 621 CA ALA A 50 -5.884 -4.082 9.372 1.00 0.00 C ATOM 622 C ALA A 50 -5.608 -3.381 8.050 1.00 0.00 C ATOM 623 O ALA A 50 -5.784 -2.169 7.939 1.00 0.00 O ATOM 624 CB ALA A 50 -7.281 -4.695 9.378 1.00 0.00 C ATOM 0 H ALA A 50 -5.773 -2.158 10.173 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.151 -4.879 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.369 -5.407 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.449 -5.209 10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.025 -3.907 9.257 1.00 0.00 H new ATOM 630 N VAL A 51 -5.174 -4.146 7.046 1.00 0.00 N ATOM 631 CA VAL A 51 -4.876 -3.596 5.739 1.00 0.00 C ATOM 632 C VAL A 51 -4.273 -4.675 4.851 1.00 0.00 C ATOM 633 O VAL A 51 -4.759 -4.918 3.749 1.00 0.00 O ATOM 634 CB VAL A 51 -3.915 -2.420 5.890 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.705 -1.115 5.899 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.145 -2.558 7.200 1.00 0.00 C ATOM 0 H VAL A 51 -5.023 -5.152 7.123 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.794 -3.240 5.272 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.214 -2.414 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.019 -0.275 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.255 -1.016 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.406 -1.120 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.458 -1.718 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.846 -2.564 8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.580 -3.490 7.194 1.00 0.00 H new ATOM 646 N ILE A 52 -3.211 -5.324 5.335 1.00 0.00 N ATOM 647 CA ILE A 52 -2.548 -6.373 4.588 1.00 0.00 C ATOM 648 C ILE A 52 -2.189 -5.868 3.198 1.00 0.00 C ATOM 649 O ILE A 52 -2.564 -4.759 2.823 1.00 0.00 O ATOM 650 CB ILE A 52 -3.463 -7.592 4.502 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.633 -8.864 4.646 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.175 -7.599 3.152 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.493 -9.967 5.255 1.00 0.00 C ATOM 0 H ILE A 52 -2.797 -5.133 6.247 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.628 -6.662 5.097 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.201 -7.549 5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.257 -9.178 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.765 -8.675 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.829 -8.469 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.769 -6.691 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.437 -7.642 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.900 -10.876 5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.847 -9.652 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.347 -10.162 4.606 1.00 0.00 H new ATOM 665 N GLY A 53 -1.461 -6.684 2.432 1.00 0.00 N ATOM 666 CA GLY A 53 -1.059 -6.311 1.090 1.00 0.00 C ATOM 667 C GLY A 53 -2.280 -5.967 0.250 1.00 0.00 C ATOM 668 O GLY A 53 -2.225 -5.077 -0.595 1.00 0.00 O ATOM 0 H GLY A 53 -1.142 -7.607 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.384 -5.456 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.509 -7.130 0.627 1.00 0.00 H new ATOM 672 N ALA A 54 -3.386 -6.678 0.484 1.00 0.00 N ATOM 673 CA ALA A 54 -4.613 -6.448 -0.251 1.00 0.00 C ATOM 674 C ALA A 54 -4.898 -4.954 -0.323 1.00 0.00 C ATOM 675 O ALA A 54 -4.933 -4.379 -1.409 1.00 0.00 O ATOM 676 CB ALA A 54 -5.761 -7.185 0.433 1.00 0.00 C ATOM 0 H ALA A 54 -3.447 -7.419 1.182 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.510 -6.828 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.685 -7.012 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.546 -8.253 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.874 -6.816 1.453 1.00 0.00 H new ATOM 682 N ASP A 55 -5.102 -4.327 0.837 1.00 0.00 N ATOM 683 CA ASP A 55 -5.384 -2.907 0.899 1.00 0.00 C ATOM 684 C ASP A 55 -4.190 -2.122 0.375 1.00 0.00 C ATOM 685 O ASP A 55 -4.351 -1.213 -0.436 1.00 0.00 O ATOM 686 CB ASP A 55 -5.699 -2.514 2.340 1.00 0.00 C ATOM 687 CG ASP A 55 -6.742 -1.407 2.385 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.538 -1.416 3.349 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.725 -0.571 1.456 1.00 0.00 O ATOM 0 H ASP A 55 -5.075 -4.790 1.745 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.248 -2.676 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.062 -3.384 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.788 -2.182 2.838 1.00 0.00 H new ATOM 695 N VAL A 56 -2.990 -2.476 0.840 1.00 0.00 N ATOM 696 CA VAL A 56 -1.777 -1.804 0.417 1.00 0.00 C ATOM 697 C VAL A 56 -1.731 -1.733 -1.103 1.00 0.00 C ATOM 698 O VAL A 56 -1.119 -0.829 -1.666 1.00 0.00 O ATOM 699 CB VAL A 56 -0.565 -2.555 0.960 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.705 -1.773 0.638 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.698 -2.708 2.473 1.00 0.00 C ATOM 0 H VAL A 56 -2.841 -3.228 1.512 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.763 -0.787 0.809 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.511 -3.541 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.571 -2.310 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.800 -1.663 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.652 -0.787 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.167 -3.244 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.752 -1.722 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.605 -3.267 2.704 1.00 0.00 H new ATOM 711 N VAL A 57 -2.383 -2.692 -1.766 1.00 0.00 N ATOM 712 CA VAL A 57 -2.414 -2.733 -3.214 1.00 0.00 C ATOM 713 C VAL A 57 -3.477 -1.776 -3.734 1.00 0.00 C ATOM 714 O VAL A 57 -3.156 -0.771 -4.364 1.00 0.00 O ATOM 715 CB VAL A 57 -2.698 -4.160 -3.676 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.808 -4.190 -5.197 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.560 -5.074 -3.229 1.00 0.00 C ATOM 0 H VAL A 57 -2.895 -3.449 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.448 -2.422 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.635 -4.505 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.011 -5.209 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.620 -3.537 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.872 -3.846 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.761 -6.093 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.623 -4.730 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.482 -5.053 -2.142 1.00 0.00 H new ATOM 727 N ASP A 58 -4.747 -2.091 -3.469 1.00 0.00 N ATOM 728 CA ASP A 58 -5.849 -1.259 -3.911 1.00 0.00 C ATOM 729 C ASP A 58 -5.478 0.209 -3.761 1.00 0.00 C ATOM 730 O ASP A 58 -5.942 1.049 -4.529 1.00 0.00 O ATOM 731 CB ASP A 58 -7.093 -1.589 -3.092 1.00 0.00 C ATOM 732 CG ASP A 58 -8.333 -1.618 -3.975 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.242 -1.079 -5.098 1.00 0.00 O ATOM 734 OD2 ASP A 58 -9.348 -2.180 -3.509 1.00 0.00 O ATOM 0 H ASP A 58 -5.030 -2.921 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.060 -1.454 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.966 -2.556 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.221 -0.848 -2.303 1.00 0.00 H new ATOM 740 N TRP A 59 -4.638 0.518 -2.770 1.00 0.00 N ATOM 741 CA TRP A 59 -4.212 1.882 -2.532 1.00 0.00 C ATOM 742 C TRP A 59 -3.102 2.256 -3.503 1.00 0.00 C ATOM 743 O TRP A 59 -3.270 3.152 -4.327 1.00 0.00 O ATOM 744 CB TRP A 59 -3.737 2.021 -1.088 1.00 0.00 C ATOM 745 CG TRP A 59 -3.552 3.428 -0.618 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.534 4.232 -0.156 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.326 4.219 -0.555 1.00 0.00 C ATOM 748 NE1 TRP A 59 -4.004 5.458 0.187 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.644 5.505 -0.039 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.979 3.982 -0.880 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.680 6.500 0.143 1.00 0.00 C ATOM 752 CZ3 TRP A 59 -0.004 4.974 -0.701 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.349 6.231 -0.191 1.00 0.00 C ATOM 0 H TRP A 59 -4.244 -0.165 -2.124 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.050 2.560 -2.693 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.457 1.527 -0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.791 1.490 -0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.575 3.957 -0.069 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.550 6.234 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.690 3.019 -1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.960 7.466 0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.024 4.766 -0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.409 6.989 -0.056 1.00 0.00 H new ATOM 764 N LEU A 60 -1.963 1.565 -3.404 1.00 0.00 N ATOM 765 CA LEU A 60 -0.832 1.826 -4.272 1.00 0.00 C ATOM 766 C LEU A 60 -1.323 2.173 -5.670 1.00 0.00 C ATOM 767 O LEU A 60 -0.831 3.114 -6.288 1.00 0.00 O ATOM 768 CB LEU A 60 0.075 0.600 -4.306 1.00 0.00 C ATOM 769 CG LEU A 60 0.949 0.579 -3.055 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.464 -0.837 -2.818 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.131 1.526 -3.244 1.00 0.00 C ATOM 0 H LEU A 60 -1.808 0.819 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.262 2.673 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.525 -0.308 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.700 0.621 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 60 0.361 0.900 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.088 -0.852 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.620 -1.513 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.052 -1.159 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.755 1.511 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.720 1.206 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.763 2.538 -3.413 1.00 0.00 H new ATOM 783 N TYR A 61 -2.297 1.408 -6.169 1.00 0.00 N ATOM 784 CA TYR A 61 -2.846 1.638 -7.491 1.00 0.00 C ATOM 785 C TYR A 61 -3.782 2.838 -7.459 1.00 0.00 C ATOM 786 O TYR A 61 -3.764 3.667 -8.367 1.00 0.00 O ATOM 787 CB TYR A 61 -3.586 0.388 -7.957 1.00 0.00 C ATOM 788 CG TYR A 61 -4.367 0.590 -9.233 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.610 1.233 -9.199 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.848 0.135 -10.451 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.334 1.421 -10.382 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.572 0.323 -11.635 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.815 0.966 -11.600 1.00 0.00 C ATOM 794 OH TYR A 61 -6.521 1.150 -12.753 1.00 0.00 O ATOM 0 H TYR A 61 -2.717 0.624 -5.670 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.039 1.850 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.866 -0.417 -8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.268 0.065 -7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.011 1.584 -8.259 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.889 -0.361 -10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.293 1.917 -10.355 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.172 -0.028 -12.575 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.019 0.777 -13.507 1.00 0.00 H new ATOM 804 N THR A 62 -4.603 2.931 -6.410 1.00 0.00 N ATOM 805 CA THR A 62 -5.538 4.029 -6.270 1.00 0.00 C ATOM 806 C THR A 62 -4.815 5.262 -5.749 1.00 0.00 C ATOM 807 O THR A 62 -5.447 6.261 -5.413 1.00 0.00 O ATOM 808 CB THR A 62 -6.662 3.621 -5.322 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.359 2.522 -5.865 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.623 4.792 -5.137 1.00 0.00 C ATOM 0 H THR A 62 -4.632 2.253 -5.648 1.00 0.00 H new ATOM 0 HA THR A 62 -5.968 4.270 -7.242 1.00 0.00 H new ATOM 0 HB THR A 62 -6.239 3.343 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.965 1.688 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.426 4.500 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.085 5.642 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.046 5.072 -6.102 1.00 0.00 H new ATOM 818 N HIS A 63 -3.483 5.192 -5.682 1.00 0.00 N ATOM 819 CA HIS A 63 -2.685 6.302 -5.201 1.00 0.00 C ATOM 820 C HIS A 63 -1.787 6.819 -6.316 1.00 0.00 C ATOM 821 O HIS A 63 -2.036 7.886 -6.873 1.00 0.00 O ATOM 822 CB HIS A 63 -1.853 5.848 -4.004 1.00 0.00 C ATOM 823 CG HIS A 63 -1.412 6.995 -3.136 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.181 7.610 -3.169 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.161 7.613 -2.172 1.00 0.00 C ATOM 826 CE1 HIS A 63 -0.194 8.581 -2.238 1.00 0.00 C ATOM 827 NE2 HIS A 63 -1.379 8.623 -1.605 1.00 0.00 N ATOM 0 H HIS A 63 -2.942 4.373 -5.957 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.341 7.114 -4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.436 5.148 -3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.975 5.309 -4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.176 7.365 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.636 9.239 -2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.653 9.264 -0.860 1.00 0.00 H new ATOM 835 N VAL A 64 -0.739 6.058 -6.641 1.00 0.00 N ATOM 836 CA VAL A 64 0.189 6.440 -7.686 1.00 0.00 C ATOM 837 C VAL A 64 0.120 5.437 -8.828 1.00 0.00 C ATOM 838 O VAL A 64 -0.770 4.590 -8.860 1.00 0.00 O ATOM 839 CB VAL A 64 1.601 6.508 -7.110 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.657 7.579 -6.025 1.00 0.00 C ATOM 841 CG2 VAL A 64 1.971 5.155 -6.510 1.00 0.00 C ATOM 0 H VAL A 64 -0.519 5.171 -6.188 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.078 7.422 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 64 2.305 6.758 -7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.665 7.628 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.393 8.546 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.953 7.330 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.979 5.203 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.267 4.904 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.932 4.390 -7.286 1.00 0.00 H new ATOM 851 N GLU A 65 1.063 5.534 -9.769 1.00 0.00 N ATOM 852 CA GLU A 65 1.101 4.634 -10.904 1.00 0.00 C ATOM 853 C GLU A 65 2.545 4.327 -11.275 1.00 0.00 C ATOM 854 O GLU A 65 3.467 4.964 -10.771 1.00 0.00 O ATOM 855 CB GLU A 65 0.365 5.270 -12.080 1.00 0.00 C ATOM 856 CG GLU A 65 0.963 6.643 -12.373 1.00 0.00 C ATOM 857 CD GLU A 65 1.004 6.911 -13.870 1.00 0.00 C ATOM 858 OE1 GLU A 65 2.017 6.521 -14.489 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.020 7.499 -14.368 1.00 0.00 O ATOM 0 H GLU A 65 1.808 6.231 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 65 0.608 3.697 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.444 4.632 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.696 5.365 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.373 7.414 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.971 6.700 -11.962 1.00 0.00 H new ATOM 867 N GLY A 66 2.741 3.346 -12.159 1.00 0.00 N ATOM 868 CA GLY A 66 4.071 2.964 -12.590 1.00 0.00 C ATOM 869 C GLY A 66 4.175 1.449 -12.698 1.00 0.00 C ATOM 870 O GLY A 66 5.137 0.929 -13.258 1.00 0.00 O ATOM 0 H GLY A 66 1.989 2.806 -12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.294 3.421 -13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.811 3.337 -11.882 1.00 0.00 H new ATOM 874 N PHE A 67 3.181 0.741 -12.157 1.00 0.00 N ATOM 875 CA PHE A 67 3.167 -0.707 -12.196 1.00 0.00 C ATOM 876 C PHE A 67 2.472 -1.184 -13.464 1.00 0.00 C ATOM 877 O PHE A 67 1.359 -0.755 -13.762 1.00 0.00 O ATOM 878 CB PHE A 67 2.457 -1.242 -10.956 1.00 0.00 C ATOM 879 CG PHE A 67 3.180 -0.931 -9.667 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.567 -1.097 -9.585 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.462 -0.475 -8.555 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.237 -0.807 -8.390 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.132 -0.185 -7.360 1.00 0.00 C ATOM 884 CZ PHE A 67 4.520 -0.351 -7.278 1.00 0.00 C ATOM 0 H PHE A 67 2.377 1.157 -11.687 1.00 0.00 H new ATOM 0 HA PHE A 67 4.190 -1.083 -12.204 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.453 -0.820 -10.911 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.345 -2.322 -11.049 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.121 -1.449 -10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.392 -0.347 -8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.307 -0.935 -8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.578 0.167 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.037 -0.127 -6.357 1.00 0.00 H new ATOM 894 N LYS A 68 3.130 -2.073 -14.211 1.00 0.00 N ATOM 895 CA LYS A 68 2.572 -2.600 -15.440 1.00 0.00 C ATOM 896 C LYS A 68 1.083 -2.862 -15.261 1.00 0.00 C ATOM 897 O LYS A 68 0.260 -2.289 -15.972 1.00 0.00 O ATOM 898 CB LYS A 68 3.304 -3.884 -15.820 1.00 0.00 C ATOM 899 CG LYS A 68 4.499 -3.543 -16.707 1.00 0.00 C ATOM 900 CD LYS A 68 5.783 -3.627 -15.887 1.00 0.00 C ATOM 901 CE LYS A 68 6.981 -3.330 -16.784 1.00 0.00 C ATOM 902 NZ LYS A 68 7.436 -4.547 -17.475 1.00 0.00 N ATOM 0 H LYS A 68 4.053 -2.439 -13.978 1.00 0.00 H new ATOM 0 HA LYS A 68 2.699 -1.873 -16.242 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.640 -4.403 -14.922 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.628 -4.559 -16.345 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.548 -4.232 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.384 -2.541 -17.121 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.747 -2.915 -15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.882 -4.619 -15.447 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.711 -2.570 -17.517 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.795 -2.921 -16.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.252 -4.319 -18.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.714 -5.262 -16.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.664 -4.922 -18.063 1.00 0.00 H new ATOM 916 N GLU A 69 0.738 -3.732 -14.309 1.00 0.00 N ATOM 917 CA GLU A 69 -0.648 -4.062 -14.044 1.00 0.00 C ATOM 918 C GLU A 69 -0.776 -4.704 -12.670 1.00 0.00 C ATOM 919 O GLU A 69 0.023 -4.431 -11.777 1.00 0.00 O ATOM 920 CB GLU A 69 -1.162 -5.002 -15.131 1.00 0.00 C ATOM 921 CG GLU A 69 -2.647 -4.741 -15.369 1.00 0.00 C ATOM 922 CD GLU A 69 -2.908 -4.376 -16.823 1.00 0.00 C ATOM 923 OE1 GLU A 69 -2.462 -3.278 -17.222 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.548 -5.202 -17.509 1.00 0.00 O ATOM 0 H GLU A 69 1.408 -4.217 -13.712 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.249 -3.153 -14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.602 -4.849 -16.054 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.007 -6.039 -14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.223 -5.627 -15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.987 -3.934 -14.721 1.00 0.00 H new ATOM 932 N ARG A 70 -1.785 -5.562 -12.503 1.00 0.00 N ATOM 933 CA ARG A 70 -2.014 -6.238 -11.242 1.00 0.00 C ATOM 934 C ARG A 70 -0.774 -7.028 -10.849 1.00 0.00 C ATOM 935 O ARG A 70 -0.573 -7.327 -9.674 1.00 0.00 O ATOM 936 CB ARG A 70 -3.223 -7.160 -11.372 1.00 0.00 C ATOM 937 CG ARG A 70 -3.817 -7.418 -9.991 1.00 0.00 C ATOM 938 CD ARG A 70 -4.645 -8.700 -10.024 1.00 0.00 C ATOM 939 NE ARG A 70 -6.005 -8.434 -10.493 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.035 -9.248 -10.228 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.843 -10.359 -9.503 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.259 -8.952 -10.687 1.00 0.00 N ATOM 0 H ARG A 70 -2.455 -5.800 -13.234 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.216 -5.504 -10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.971 -6.707 -12.022 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.927 -8.102 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.021 -7.506 -9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.441 -6.577 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.167 -9.429 -10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.680 -9.140 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.176 -7.593 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.912 -10.585 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.628 -10.978 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.406 -8.107 -11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.043 -9.572 -10.485 1.00 0.00 H new ATOM 956 N ARG A 71 0.058 -7.367 -11.837 1.00 0.00 N ATOM 957 CA ARG A 71 1.271 -8.120 -11.590 1.00 0.00 C ATOM 958 C ARG A 71 2.265 -7.260 -10.822 1.00 0.00 C ATOM 959 O ARG A 71 2.522 -7.506 -9.646 1.00 0.00 O ATOM 960 CB ARG A 71 1.866 -8.574 -12.920 1.00 0.00 C ATOM 961 CG ARG A 71 0.794 -9.291 -13.738 1.00 0.00 C ATOM 962 CD ARG A 71 0.378 -10.571 -13.020 1.00 0.00 C ATOM 963 NE ARG A 71 0.270 -11.688 -13.958 1.00 0.00 N ATOM 964 CZ ARG A 71 -0.054 -12.930 -13.574 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.297 -13.190 -12.282 1.00 0.00 N ATOM 966 NH2 ARG A 71 -0.135 -13.913 -14.481 1.00 0.00 N ATOM 0 H ARG A 71 -0.095 -7.127 -12.816 1.00 0.00 H new ATOM 0 HA ARG A 71 1.041 -9.000 -10.989 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.247 -7.715 -13.473 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.711 -9.240 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.070 -8.641 -13.875 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.176 -9.526 -14.731 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.107 -10.811 -12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.579 -10.417 -12.521 1.00 0.00 H new ATOM 0 HE ARG A 71 0.449 -11.514 -14.947 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.235 -12.442 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.544 -14.136 -11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.050 -13.716 -15.465 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.382 -14.858 -14.188 1.00 0.00 H new ATOM 980 N GLU A 72 2.824 -6.248 -11.490 1.00 0.00 N ATOM 981 CA GLU A 72 3.782 -5.360 -10.864 1.00 0.00 C ATOM 982 C GLU A 72 3.247 -4.878 -9.523 1.00 0.00 C ATOM 983 O GLU A 72 3.998 -4.760 -8.558 1.00 0.00 O ATOM 984 CB GLU A 72 4.060 -4.179 -11.791 1.00 0.00 C ATOM 985 CG GLU A 72 5.165 -4.553 -12.774 1.00 0.00 C ATOM 986 CD GLU A 72 6.539 -4.320 -12.161 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.763 -3.187 -11.684 1.00 0.00 O ATOM 988 OE2 GLU A 72 7.339 -5.280 -12.181 1.00 0.00 O ATOM 0 H GLU A 72 2.623 -6.030 -12.466 1.00 0.00 H new ATOM 0 HA GLU A 72 4.715 -5.896 -10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.154 -3.907 -12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.357 -3.307 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.063 -5.600 -13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.063 -3.962 -13.684 1.00 0.00 H new ATOM 996 N ALA A 73 1.942 -4.601 -9.466 1.00 0.00 N ATOM 997 CA ALA A 73 1.313 -4.134 -8.247 1.00 0.00 C ATOM 998 C ALA A 73 1.505 -5.163 -7.141 1.00 0.00 C ATOM 999 O ALA A 73 1.972 -4.829 -6.054 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.171 -3.887 -8.504 1.00 0.00 C ATOM 0 H ALA A 73 1.306 -4.695 -10.258 1.00 0.00 H new ATOM 0 HA ALA A 73 1.774 -3.199 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.645 -3.536 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.285 -3.134 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.644 -4.815 -8.825 1.00 0.00 H new ATOM 1006 N ARG A 74 1.143 -6.417 -7.421 1.00 0.00 N ATOM 1007 CA ARG A 74 1.275 -7.485 -6.452 1.00 0.00 C ATOM 1008 C ARG A 74 2.747 -7.730 -6.151 1.00 0.00 C ATOM 1009 O ARG A 74 3.090 -8.220 -5.078 1.00 0.00 O ATOM 1010 CB ARG A 74 0.618 -8.750 -6.997 1.00 0.00 C ATOM 1011 CG ARG A 74 0.532 -9.797 -5.890 1.00 0.00 C ATOM 1012 CD ARG A 74 -0.793 -10.547 -6.000 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.640 -11.945 -5.597 1.00 0.00 N ATOM 1014 CZ ARG A 74 -0.066 -12.868 -6.380 1.00 0.00 C ATOM 1015 NH1 ARG A 74 0.399 -12.525 -7.589 1.00 0.00 N ATOM 1016 NH2 ARG A 74 0.044 -14.134 -5.954 1.00 0.00 N ATOM 0 H ARG A 74 0.755 -6.709 -8.318 1.00 0.00 H new ATOM 0 HA ARG A 74 0.777 -7.203 -5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.379 -8.521 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.194 -9.139 -7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.365 -10.495 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.611 -9.317 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.542 -10.064 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.158 -10.499 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.985 -12.229 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.316 -11.561 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.836 -13.228 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.309 -14.395 -5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.481 -14.837 -6.550 1.00 0.00 H new ATOM 1030 N LYS A 75 3.618 -7.387 -7.103 1.00 0.00 N ATOM 1031 CA LYS A 75 5.045 -7.571 -6.934 1.00 0.00 C ATOM 1032 C LYS A 75 5.562 -6.641 -5.846 1.00 0.00 C ATOM 1033 O LYS A 75 6.368 -7.045 -5.011 1.00 0.00 O ATOM 1034 CB LYS A 75 5.753 -7.298 -8.258 1.00 0.00 C ATOM 1035 CG LYS A 75 7.262 -7.290 -8.036 1.00 0.00 C ATOM 1036 CD LYS A 75 7.749 -8.715 -7.790 1.00 0.00 C ATOM 1037 CE LYS A 75 8.216 -9.328 -9.108 1.00 0.00 C ATOM 1038 NZ LYS A 75 9.490 -10.043 -8.935 1.00 0.00 N ATOM 0 H LYS A 75 3.350 -6.980 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 75 5.248 -8.598 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.486 -8.061 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.429 -6.340 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.766 -6.867 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.511 -6.657 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.566 -8.712 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.947 -9.316 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.457 -10.015 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.334 -8.544 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.786 -10.450 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.218 -9.380 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.369 -10.805 -8.238 1.00 0.00 H new ATOM 1052 N TYR A 76 5.095 -5.390 -5.855 1.00 0.00 N ATOM 1053 CA TYR A 76 5.513 -4.412 -4.872 1.00 0.00 C ATOM 1054 C TYR A 76 4.940 -4.772 -3.509 1.00 0.00 C ATOM 1055 O TYR A 76 5.684 -4.957 -2.549 1.00 0.00 O ATOM 1056 CB TYR A 76 5.047 -3.025 -5.306 1.00 0.00 C ATOM 1057 CG TYR A 76 5.537 -1.916 -4.406 1.00 0.00 C ATOM 1058 CD1 TYR A 76 4.797 -1.554 -3.274 1.00 0.00 C ATOM 1059 CD2 TYR A 76 6.730 -1.248 -4.705 1.00 0.00 C ATOM 1060 CE1 TYR A 76 5.251 -0.525 -2.440 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.184 -0.219 -3.871 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.444 0.143 -2.739 1.00 0.00 C ATOM 1063 OH TYR A 76 6.887 1.145 -1.927 1.00 0.00 O ATOM 0 H TYR A 76 4.425 -5.038 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 76 6.600 -4.409 -4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.392 -2.836 -6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.957 -3.008 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.876 -2.069 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.300 -1.526 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.681 -0.247 -1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.105 0.296 -4.101 1.00 0.00 H new ATOM 1073 N ALA A 77 3.611 -4.871 -3.426 1.00 0.00 N ATOM 1074 CA ALA A 77 2.945 -5.207 -2.184 1.00 0.00 C ATOM 1075 C ALA A 77 3.642 -6.390 -1.529 1.00 0.00 C ATOM 1076 O ALA A 77 4.097 -6.293 -0.391 1.00 0.00 O ATOM 1077 CB ALA A 77 1.480 -5.529 -2.464 1.00 0.00 C ATOM 0 H ALA A 77 2.980 -4.721 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 77 2.992 -4.359 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.978 -5.782 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.996 -4.661 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.418 -6.374 -3.150 1.00 0.00 H new ATOM 1083 N SER A 78 3.725 -7.511 -2.250 1.00 0.00 N ATOM 1084 CA SER A 78 4.365 -8.704 -1.736 1.00 0.00 C ATOM 1085 C SER A 78 5.740 -8.355 -1.184 1.00 0.00 C ATOM 1086 O SER A 78 6.133 -8.852 -0.131 1.00 0.00 O ATOM 1087 CB SER A 78 4.477 -9.741 -2.851 1.00 0.00 C ATOM 1088 OG SER A 78 5.091 -9.155 -3.977 1.00 0.00 O ATOM 0 H SER A 78 3.352 -7.608 -3.195 1.00 0.00 H new ATOM 0 HA SER A 78 3.766 -9.123 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.060 -10.596 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.488 -10.114 -3.116 1.00 0.00 H new ATOM 0 HG SER A 78 4.421 -9.015 -4.679 1.00 0.00 H new ATOM 1094 N SER A 79 6.472 -7.498 -1.899 1.00 0.00 N ATOM 1095 CA SER A 79 7.796 -7.087 -1.477 1.00 0.00 C ATOM 1096 C SER A 79 7.722 -6.440 -0.101 1.00 0.00 C ATOM 1097 O SER A 79 8.595 -6.656 0.737 1.00 0.00 O ATOM 1098 CB SER A 79 8.376 -6.115 -2.500 1.00 0.00 C ATOM 1099 OG SER A 79 9.516 -6.690 -3.100 1.00 0.00 O ATOM 0 H SER A 79 6.161 -7.078 -2.775 1.00 0.00 H new ATOM 0 HA SER A 79 8.448 -7.958 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.630 -5.882 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.642 -5.175 -2.015 1.00 0.00 H new ATOM 0 HG SER A 79 9.888 -6.067 -3.759 1.00 0.00 H new ATOM 1105 N MET A 80 6.674 -5.646 0.132 1.00 0.00 N ATOM 1106 CA MET A 80 6.494 -4.974 1.404 1.00 0.00 C ATOM 1107 C MET A 80 6.290 -6.002 2.508 1.00 0.00 C ATOM 1108 O MET A 80 6.832 -5.857 3.602 1.00 0.00 O ATOM 1109 CB MET A 80 5.297 -4.032 1.315 1.00 0.00 C ATOM 1110 CG MET A 80 5.784 -2.586 1.339 1.00 0.00 C ATOM 1111 SD MET A 80 5.123 -1.611 2.714 1.00 0.00 S ATOM 1112 CE MET A 80 3.373 -2.048 2.563 1.00 0.00 C ATOM 0 H MET A 80 5.940 -5.458 -0.551 1.00 0.00 H new ATOM 0 HA MET A 80 7.384 -4.390 1.640 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.738 -4.223 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.617 -4.212 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.873 -2.581 1.393 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.509 -2.105 0.400 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.782 -1.418 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.047 -1.895 1.534 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.234 -3.094 2.836 1.00 0.00 H new ATOM 1122 N LEU A 81 5.506 -7.043 2.219 1.00 0.00 N ATOM 1123 CA LEU A 81 5.235 -8.088 3.185 1.00 0.00 C ATOM 1124 C LEU A 81 6.518 -8.842 3.505 1.00 0.00 C ATOM 1125 O LEU A 81 6.725 -9.267 4.639 1.00 0.00 O ATOM 1126 CB LEU A 81 4.177 -9.035 2.626 1.00 0.00 C ATOM 1127 CG LEU A 81 3.639 -9.916 3.750 1.00 0.00 C ATOM 1128 CD1 LEU A 81 4.770 -10.774 4.310 1.00 0.00 C ATOM 1129 CD2 LEU A 81 3.070 -9.036 4.859 1.00 0.00 C ATOM 0 H LEU A 81 5.050 -7.177 1.317 1.00 0.00 H new ATOM 0 HA LEU A 81 4.858 -7.646 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.365 -8.465 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.607 -9.654 1.838 1.00 0.00 H new ATOM 0 HG LEU A 81 2.852 -10.562 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.386 -11.403 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.176 -11.403 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.557 -10.129 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.686 -9.665 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.856 -8.389 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.262 -8.424 4.459 1.00 0.00 H new ATOM 1141 N LYS A 82 7.381 -9.007 2.500 1.00 0.00 N ATOM 1142 CA LYS A 82 8.637 -9.708 2.680 1.00 0.00 C ATOM 1143 C LYS A 82 9.639 -8.803 3.382 1.00 0.00 C ATOM 1144 O LYS A 82 10.235 -9.192 4.384 1.00 0.00 O ATOM 1145 CB LYS A 82 9.170 -10.152 1.320 1.00 0.00 C ATOM 1146 CG LYS A 82 8.780 -11.606 1.072 1.00 0.00 C ATOM 1147 CD LYS A 82 7.280 -11.776 1.293 1.00 0.00 C ATOM 1148 CE LYS A 82 7.042 -12.661 2.513 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.674 -13.978 2.341 1.00 0.00 N ATOM 0 H LYS A 82 7.225 -8.660 1.553 1.00 0.00 H new ATOM 0 HA LYS A 82 8.479 -10.590 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.764 -9.516 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.254 -10.045 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.043 -11.896 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.334 -12.262 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.811 -10.803 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.820 -12.222 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.442 -12.175 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.971 -12.786 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.333 -14.626 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.430 -14.361 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.707 -13.880 2.416 1.00 0.00 H new ATOM 1163 N HIS A 83 9.824 -7.590 2.855 1.00 0.00 N ATOM 1164 CA HIS A 83 10.754 -6.641 3.434 1.00 0.00 C ATOM 1165 C HIS A 83 10.596 -6.618 4.948 1.00 0.00 C ATOM 1166 O HIS A 83 11.558 -6.370 5.671 1.00 0.00 O ATOM 1167 CB HIS A 83 10.500 -5.257 2.843 1.00 0.00 C ATOM 1168 CG HIS A 83 11.749 -4.423 2.763 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.212 -3.760 1.649 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.630 -4.188 3.784 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.352 -3.138 1.999 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.648 -3.368 3.290 1.00 0.00 N ATOM 0 H HIS A 83 9.337 -7.249 2.026 1.00 0.00 H new ATOM 0 HA HIS A 83 11.776 -6.940 3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.075 -5.365 1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.759 -4.737 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.552 -4.569 4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.950 -2.534 1.332 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.454 -3.015 3.806 1.00 0.00 H new ATOM 1180 N GLY A 84 9.377 -6.877 5.428 1.00 0.00 N ATOM 1181 CA GLY A 84 9.105 -6.882 6.851 1.00 0.00 C ATOM 1182 C GLY A 84 8.299 -5.651 7.239 1.00 0.00 C ATOM 1183 O GLY A 84 8.268 -5.269 8.407 1.00 0.00 O ATOM 0 H GLY A 84 8.567 -7.085 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.556 -7.784 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.042 -6.902 7.407 1.00 0.00 H new ATOM 1187 N PHE A 85 7.645 -5.029 6.255 1.00 0.00 N ATOM 1188 CA PHE A 85 6.845 -3.846 6.499 1.00 0.00 C ATOM 1189 C PHE A 85 5.423 -4.251 6.864 1.00 0.00 C ATOM 1190 O PHE A 85 4.561 -3.396 7.052 1.00 0.00 O ATOM 1191 CB PHE A 85 6.854 -2.962 5.256 1.00 0.00 C ATOM 1192 CG PHE A 85 8.145 -2.203 5.065 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.623 -1.368 6.083 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.864 -2.332 3.871 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.819 -0.663 5.906 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.060 -1.627 3.694 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.538 -0.793 4.711 1.00 0.00 C ATOM 0 H PHE A 85 7.660 -5.333 5.282 1.00 0.00 H new ATOM 0 HA PHE A 85 7.266 -3.283 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.673 -3.582 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.030 -2.251 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.069 -1.268 7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.496 -2.976 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.187 -0.019 6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.614 -1.727 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.461 -0.250 4.574 1.00 0.00 H new ATOM 1207 N LEU A 86 5.180 -5.561 6.963 1.00 0.00 N ATOM 1208 CA LEU A 86 3.868 -6.072 7.304 1.00 0.00 C ATOM 1209 C LEU A 86 4.006 -7.374 8.080 1.00 0.00 C ATOM 1210 O LEU A 86 4.888 -8.180 7.792 1.00 0.00 O ATOM 1211 CB LEU A 86 3.059 -6.286 6.027 1.00 0.00 C ATOM 1212 CG LEU A 86 2.344 -4.991 5.655 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.254 -4.878 4.136 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.939 -4.997 6.249 1.00 0.00 C ATOM 0 H LEU A 86 5.884 -6.282 6.809 1.00 0.00 H new ATOM 0 HA LEU A 86 3.345 -5.352 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.716 -6.597 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.333 -7.086 6.173 1.00 0.00 H new ATOM 0 HG LEU A 86 2.902 -4.142 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.743 -3.953 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.258 -4.873 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.697 -5.727 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.428 -4.072 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.381 -5.846 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.003 -5.077 7.334 1.00 0.00 H new ATOM 1226 N ARG A 87 3.130 -7.577 9.067 1.00 0.00 N ATOM 1227 CA ARG A 87 3.159 -8.777 9.879 1.00 0.00 C ATOM 1228 C ARG A 87 1.778 -9.036 10.465 1.00 0.00 C ATOM 1229 O ARG A 87 0.997 -8.105 10.652 1.00 0.00 O ATOM 1230 CB ARG A 87 4.194 -8.615 10.987 1.00 0.00 C ATOM 1231 CG ARG A 87 5.553 -9.099 10.489 1.00 0.00 C ATOM 1232 CD ARG A 87 6.471 -7.899 10.270 1.00 0.00 C ATOM 1233 NE ARG A 87 7.852 -8.328 10.048 1.00 0.00 N ATOM 1234 CZ ARG A 87 8.595 -8.905 11.003 1.00 0.00 C ATOM 1235 NH1 ARG A 87 8.078 -9.111 12.221 1.00 0.00 N ATOM 1236 NH2 ARG A 87 9.856 -9.275 10.738 1.00 0.00 N ATOM 0 H ARG A 87 2.393 -6.918 9.317 1.00 0.00 H new ATOM 0 HA ARG A 87 3.437 -9.632 9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.257 -7.570 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.893 -9.184 11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.996 -9.782 11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.435 -9.655 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.123 -7.323 9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.426 -7.240 11.137 1.00 0.00 H new ATOM 0 HE ARG A 87 8.267 -8.182 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.119 -8.829 12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.644 -9.550 12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.249 -9.117 9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.422 -9.714 11.464 1.00 0.00 H new ATOM 1250 N HIS A 88 1.477 -10.304 10.755 1.00 0.00 N ATOM 1251 CA HIS A 88 0.193 -10.673 11.316 1.00 0.00 C ATOM 1252 C HIS A 88 0.203 -12.141 11.717 1.00 0.00 C ATOM 1253 O HIS A 88 1.248 -12.682 12.073 1.00 0.00 O ATOM 1254 CB HIS A 88 -0.905 -10.401 10.291 1.00 0.00 C ATOM 1255 CG HIS A 88 -2.229 -10.081 10.930 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -2.512 -8.978 11.702 1.00 0.00 N ATOM 1257 CD2 HIS A 88 -3.368 -10.836 10.847 1.00 0.00 C ATOM 1258 CE1 HIS A 88 -3.801 -9.071 12.076 1.00 0.00 C ATOM 1259 NE2 HIS A 88 -4.365 -10.185 11.580 1.00 0.00 N ATOM 0 H HIS A 88 2.113 -11.088 10.607 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.001 -10.077 12.208 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.604 -9.570 9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.018 -11.272 9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.477 -11.767 10.311 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.314 -8.347 12.692 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.328 -10.494 11.712 1.00 0.00 H new ATOM 1267 N THR A 89 -0.964 -12.786 11.661 1.00 0.00 N ATOM 1268 CA THR A 89 -1.078 -14.186 12.018 1.00 0.00 C ATOM 1269 C THR A 89 0.135 -14.952 11.511 1.00 0.00 C ATOM 1270 O THR A 89 0.533 -15.953 12.102 1.00 0.00 O ATOM 1271 CB THR A 89 -2.364 -14.757 11.426 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.321 -16.166 11.482 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.499 -14.310 9.974 1.00 0.00 C ATOM 0 H THR A 89 -1.840 -12.353 11.370 1.00 0.00 H new ATOM 0 HA THR A 89 -1.115 -14.285 13.103 1.00 0.00 H new ATOM 0 HB THR A 89 -3.219 -14.396 11.998 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.147 -16.534 11.104 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.417 -14.718 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.532 -13.221 9.930 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.645 -14.671 9.401 1.00 0.00 H new ATOM 1281 N VAL A 90 0.724 -14.477 10.410 1.00 0.00 N ATOM 1282 CA VAL A 90 1.887 -15.116 9.829 1.00 0.00 C ATOM 1283 C VAL A 90 3.000 -15.199 10.864 1.00 0.00 C ATOM 1284 O VAL A 90 3.272 -14.227 11.564 1.00 0.00 O ATOM 1285 CB VAL A 90 2.343 -14.325 8.606 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.123 -13.864 7.814 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.146 -13.109 9.058 1.00 0.00 C ATOM 0 H VAL A 90 0.406 -13.648 9.908 1.00 0.00 H new ATOM 0 HA VAL A 90 1.633 -16.129 9.516 1.00 0.00 H new ATOM 0 HB VAL A 90 2.967 -14.958 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.448 -13.299 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.549 -14.733 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.498 -13.230 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.472 -12.543 8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.523 -12.475 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.018 -13.438 9.623 1.00 0.00 H new ATOM 1297 N ASN A 91 3.644 -16.365 10.958 1.00 0.00 N ATOM 1298 CA ASN A 91 4.723 -16.566 11.905 1.00 0.00 C ATOM 1299 C ASN A 91 5.732 -15.433 11.790 1.00 0.00 C ATOM 1300 O ASN A 91 6.037 -14.766 12.776 1.00 0.00 O ATOM 1301 CB ASN A 91 5.389 -17.912 11.637 1.00 0.00 C ATOM 1302 CG ASN A 91 5.001 -18.931 12.699 1.00 0.00 C ATOM 1303 OD1 ASN A 91 4.499 -18.565 13.759 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.233 -20.214 12.411 1.00 0.00 N ATOM 0 H ASN A 91 3.430 -17.181 10.385 1.00 0.00 H new ATOM 0 HA ASN A 91 4.324 -16.567 12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.096 -18.277 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.472 -17.790 11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.991 -20.940 13.085 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.652 -20.468 11.517 1.00 0.00 H new ATOM 1311 N LYS A 92 6.252 -15.215 10.579 1.00 0.00 N ATOM 1312 CA LYS A 92 7.222 -14.166 10.343 1.00 0.00 C ATOM 1313 C LYS A 92 6.637 -13.122 9.402 1.00 0.00 C ATOM 1314 O LYS A 92 6.394 -11.987 9.804 1.00 0.00 O ATOM 1315 CB LYS A 92 8.493 -14.772 9.754 1.00 0.00 C ATOM 1316 CG LYS A 92 9.699 -13.943 10.185 1.00 0.00 C ATOM 1317 CD LYS A 92 10.918 -14.850 10.322 1.00 0.00 C ATOM 1318 CE LYS A 92 11.534 -14.669 11.707 1.00 0.00 C ATOM 1319 NZ LYS A 92 10.744 -15.370 12.731 1.00 0.00 N ATOM 0 H LYS A 92 6.010 -15.758 9.750 1.00 0.00 H new ATOM 0 HA LYS A 92 7.470 -13.678 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.607 -15.802 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.426 -14.798 8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.896 -13.160 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.493 -13.448 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.629 -15.890 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.651 -14.610 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.555 -15.049 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.589 -13.608 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.183 -15.232 13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.776 -14.989 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.713 -16.386 12.510 1.00 0.00 H new ATOM 1333 N ILE A 93 6.412 -13.510 8.144 1.00 0.00 N ATOM 1334 CA ILE A 93 5.857 -12.611 7.152 1.00 0.00 C ATOM 1335 C ILE A 93 4.995 -13.394 6.172 1.00 0.00 C ATOM 1336 O ILE A 93 3.796 -13.557 6.390 1.00 0.00 O ATOM 1337 CB ILE A 93 6.991 -11.894 6.424 1.00 0.00 C ATOM 1338 CG1 ILE A 93 8.237 -12.774 6.433 1.00 0.00 C ATOM 1339 CG2 ILE A 93 7.294 -10.575 7.129 1.00 0.00 C ATOM 1340 CD1 ILE A 93 9.238 -12.248 5.407 1.00 0.00 C ATOM 0 H ILE A 93 6.610 -14.448 7.796 1.00 0.00 H new ATOM 0 HA ILE A 93 5.230 -11.866 7.641 1.00 0.00 H new ATOM 0 HB ILE A 93 6.694 -11.695 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.686 -12.777 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.969 -13.805 6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.104 -10.062 6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.404 -9.946 7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.591 -10.773 8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.129 -12.876 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.787 -12.267 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.514 -11.224 5.660 1.00 0.00 H new ATOM 1352 N THR A 94 5.608 -13.880 5.090 1.00 0.00 N ATOM 1353 CA THR A 94 4.891 -14.643 4.088 1.00 0.00 C ATOM 1354 C THR A 94 3.689 -13.851 3.595 1.00 0.00 C ATOM 1355 O THR A 94 2.714 -13.679 4.323 1.00 0.00 O ATOM 1356 CB THR A 94 4.452 -15.977 4.684 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.293 -15.785 5.463 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.568 -16.535 5.562 1.00 0.00 C ATOM 0 H THR A 94 6.601 -13.754 4.893 1.00 0.00 H new ATOM 0 HA THR A 94 5.545 -14.837 3.238 1.00 0.00 H new ATOM 0 HB THR A 94 4.237 -16.680 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.125 -14.825 5.569 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.254 -17.488 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.464 -16.684 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.784 -15.832 6.366 1.00 0.00 H new ATOM 1366 N PHE A 95 3.760 -13.367 2.352 1.00 0.00 N ATOM 1367 CA PHE A 95 2.679 -12.598 1.770 1.00 0.00 C ATOM 1368 C PHE A 95 1.541 -13.527 1.370 1.00 0.00 C ATOM 1369 O PHE A 95 1.777 -14.661 0.962 1.00 0.00 O ATOM 1370 CB PHE A 95 3.199 -11.827 0.560 1.00 0.00 C ATOM 1371 CG PHE A 95 2.149 -10.969 -0.105 1.00 0.00 C ATOM 1372 CD1 PHE A 95 1.312 -10.159 0.672 1.00 0.00 C ATOM 1373 CD2 PHE A 95 2.015 -10.982 -1.498 1.00 0.00 C ATOM 1374 CE1 PHE A 95 0.341 -9.362 0.055 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.043 -10.185 -2.115 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.206 -9.375 -1.339 1.00 0.00 C ATOM 0 H PHE A 95 4.561 -13.500 1.735 1.00 0.00 H new ATOM 0 HA PHE A 95 2.299 -11.886 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.030 -11.194 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.594 -12.534 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.416 -10.149 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.661 -11.607 -2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.304 -8.737 0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.939 -10.195 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.544 -8.760 -1.815 1.00 0.00 H new ATOM 1386 N SER A 96 0.303 -13.041 1.489 1.00 0.00 N ATOM 1387 CA SER A 96 -0.862 -13.829 1.139 1.00 0.00 C ATOM 1388 C SER A 96 -1.920 -12.934 0.507 1.00 0.00 C ATOM 1389 O SER A 96 -2.394 -13.211 -0.593 1.00 0.00 O ATOM 1390 CB SER A 96 -1.409 -14.511 2.389 1.00 0.00 C ATOM 1391 OG SER A 96 -1.116 -15.890 2.338 1.00 0.00 O ATOM 0 H SER A 96 0.090 -12.102 1.827 1.00 0.00 H new ATOM 0 HA SER A 96 -0.583 -14.595 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.967 -14.067 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.486 -14.359 2.457 1.00 0.00 H new ATOM 0 HG SER A 96 -1.466 -16.329 3.142 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.288 -11.857 1.205 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.283 -10.930 0.706 1.00 0.00 C ATOM 1399 C GLU A 97 -4.680 -11.474 0.972 1.00 0.00 C ATOM 1400 O GLU A 97 -5.581 -11.306 0.154 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.066 -10.706 -0.788 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.036 -9.209 -1.079 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.203 -8.942 -2.568 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -2.339 -8.224 -3.116 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -4.192 -9.460 -3.130 1.00 0.00 O ATOM 0 H GLU A 97 -1.906 -11.613 2.119 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.184 -9.975 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.130 -11.167 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.864 -11.182 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.831 -8.711 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.093 -8.786 -0.733 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.857 -12.129 2.122 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.140 -12.694 2.490 1.00 0.00 C ATOM 1415 C GLN A 98 -6.436 -12.397 3.953 1.00 0.00 C ATOM 1416 O GLN A 98 -7.371 -11.663 4.263 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.122 -14.198 2.236 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.160 -14.548 1.173 1.00 0.00 C ATOM 1419 CD GLN A 98 -7.846 -15.868 1.498 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -7.293 -16.935 1.244 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.055 -15.791 2.060 1.00 0.00 N ATOM 0 H GLN A 98 -4.120 -12.277 2.811 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.927 -12.245 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.131 -14.510 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.336 -14.736 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.903 -13.753 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.679 -14.614 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.472 -14.880 2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.562 -16.643 2.298 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.633 -12.970 4.853 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.806 -12.768 6.277 1.00 0.00 C ATOM 1432 C CYS A 99 -5.283 -11.391 6.663 1.00 0.00 C ATOM 1433 O CYS A 99 -4.097 -11.233 6.941 1.00 0.00 O ATOM 1434 CB CYS A 99 -5.065 -13.863 7.040 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.832 -15.457 6.658 1.00 0.00 S ATOM 0 H CYS A 99 -4.853 -13.581 4.609 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.864 -12.821 6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.012 -13.873 6.759 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -5.107 -13.671 8.112 1.00 0.00 H new ATOM 0 HG CYS A 99 -5.211 -16.402 7.299 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.172 -10.395 6.680 1.00 0.00 N ATOM 1442 CA TYR A 100 -5.792 -9.041 7.031 1.00 0.00 C ATOM 1443 C TYR A 100 -4.573 -9.065 7.941 1.00 0.00 C ATOM 1444 O TYR A 100 -4.514 -9.852 8.883 1.00 0.00 O ATOM 1445 CB TYR A 100 -6.966 -8.347 7.717 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.647 -9.203 8.758 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.643 -10.109 8.376 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.281 -9.090 10.105 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.275 -10.902 9.342 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -7.913 -9.883 11.070 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.910 -10.789 10.689 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.525 -11.562 11.630 1.00 0.00 O ATOM 0 H TYR A 100 -7.160 -10.510 6.453 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.534 -8.486 6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.611 -7.430 8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.697 -8.056 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.924 -10.197 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.512 -8.391 10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.044 -11.601 9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.631 -9.796 12.109 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.153 -11.360 12.514 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.597 -8.200 7.657 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.386 -8.129 8.450 1.00 0.00 C ATOM 1464 C TYR A 101 -2.249 -6.743 9.062 1.00 0.00 C ATOM 1465 O TYR A 101 -3.154 -5.919 8.947 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.183 -8.452 7.568 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.060 -9.918 7.229 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.868 -10.857 7.880 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.138 -10.338 6.262 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.754 -12.217 7.566 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.025 -11.698 5.947 1.00 0.00 C ATOM 1472 CZ TYR A 101 -0.833 -12.637 6.599 1.00 0.00 C ATOM 1473 OH TYR A 101 -0.723 -13.961 6.292 1.00 0.00 O ATOM 0 H TYR A 101 -3.630 -7.541 6.880 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.434 -8.857 9.259 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.256 -7.879 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.274 -8.127 8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.580 -10.533 8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.486 -9.613 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.376 -12.942 8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.686 -12.022 5.201 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.228 -14.062 5.452 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.113 -6.486 9.715 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.864 -5.203 10.340 1.00 0.00 C ATOM 1485 C VAL A 102 0.601 -4.825 10.174 1.00 0.00 C ATOM 1486 O VAL A 102 1.487 -5.633 10.442 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.239 -5.277 11.818 1.00 0.00 C ATOM 1488 CG1 VAL A 102 0.007 -5.063 12.671 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.266 -4.193 12.136 1.00 0.00 C ATOM 0 H VAL A 102 -0.353 -7.159 9.820 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.473 -4.436 9.862 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.664 -6.257 12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.261 -5.116 13.726 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.741 -5.836 12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.433 -4.084 12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.535 -4.245 13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.841 -3.213 11.917 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.157 -4.346 11.527 1.00 0.00 H new ATOM 1499 N PHE A 103 0.855 -3.591 9.730 1.00 0.00 N ATOM 1500 CA PHE A 103 2.209 -3.116 9.532 1.00 0.00 C ATOM 1501 C PHE A 103 3.101 -3.611 10.662 1.00 0.00 C ATOM 1502 O PHE A 103 2.607 -4.039 11.703 1.00 0.00 O ATOM 1503 CB PHE A 103 2.207 -1.591 9.472 1.00 0.00 C ATOM 1504 CG PHE A 103 1.579 -0.941 10.682 1.00 0.00 C ATOM 1505 CD1 PHE A 103 2.192 -1.054 11.935 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.384 -0.223 10.549 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.610 -0.449 13.056 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.198 0.382 11.669 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.415 0.268 12.923 1.00 0.00 C ATOM 0 H PHE A 103 0.132 -2.908 9.503 1.00 0.00 H new ATOM 0 HA PHE A 103 2.601 -3.504 8.592 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.233 -1.238 9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.671 -1.271 8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.114 -1.608 12.037 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.089 -0.136 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.083 -0.536 14.023 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.119 0.936 11.566 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.034 0.733 13.788 1.00 0.00 H new ATOM 1519 N GLY A 104 4.418 -3.553 10.455 1.00 0.00 N ATOM 1520 CA GLY A 104 5.366 -3.996 11.458 1.00 0.00 C ATOM 1521 C GLY A 104 5.978 -2.798 12.172 1.00 0.00 C ATOM 1522 O GLY A 104 5.672 -1.654 11.843 1.00 0.00 O ATOM 0 H GLY A 104 4.845 -3.202 9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.867 -4.642 12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.151 -4.589 10.989 1.00 0.00 H new ATOM 1526 N ASP A 105 6.844 -3.064 13.152 1.00 0.00 N ATOM 1527 CA ASP A 105 7.492 -2.010 13.906 1.00 0.00 C ATOM 1528 C ASP A 105 8.348 -2.618 15.008 1.00 0.00 C ATOM 1529 O ASP A 105 7.886 -2.785 16.134 1.00 0.00 O ATOM 1530 CB ASP A 105 6.433 -1.082 14.493 1.00 0.00 C ATOM 1531 CG ASP A 105 7.075 0.005 15.344 1.00 0.00 C ATOM 1532 OD1 ASP A 105 7.585 -0.350 16.428 1.00 0.00 O ATOM 1533 OD2 ASP A 105 7.043 1.171 14.894 1.00 0.00 O ATOM 0 H ASP A 105 7.108 -4.007 13.436 1.00 0.00 H new ATOM 0 HA ASP A 105 8.139 -1.430 13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.856 -0.626 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.734 -1.658 15.099 1.00 0.00 H new TER 1539 ASP A 105