USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 35:sc= 1.06 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.78! C(o=-4.3!,f=-2.8!) USER MOD Set 2.2: A 37 GLN : amide:sc= -1.52 K(o=-4.3,f=-2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 30:sc= 0.288 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 124:sc= -2.96! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 70:sc= -1.14 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 69:sc= 0.832 USER MOD Single : A 31 THR OG1 : rot -98:sc= 1.1 USER MOD Single : A 32 THR OG1 : rot -150:sc= -0.0205 USER MOD Single : A 40 THR OG1 : rot -61:sc= -0.35 USER MOD Single : A 41 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.36) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -8.63! C(o=-8.6!,f=-13!) USER MOD Single : A 56 MET CE :methyl 140:sc= -0.132 (180deg=-0.966) USER MOD Single : A 60 ASN : amide:sc= 0.475 K(o=0.48,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -8:sc= 0.15 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= -1.35! (180deg=-3.13!) USER MOD Single : A 73 HIS : no HD1:sc= -11.1! C(o=-11!,f=-9.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -40:sc= 0.033 USER MOD Single : A 87 HIS : no HE2:sc= -1.39 X(o=-1.4,f=-1.7) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.549 (180deg=-1.02) USER MOD Single : A 99 ASN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 102 THR OG1 : rot 100:sc= 0.874 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.996 USER MOD Single : A 106 MET CE :methyl 168:sc= -2.02 (180deg=-2.7!) USER MOD Single : A 119 THR OG1 : rot 64:sc= 0.945 USER MOD Single : A 121 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.4!) USER MOD Single : A 124 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.7!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.889) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 75:sc= 0.111 USER MOD Single : A 137 TYR OH : rot -27:sc= 0.539 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 19.882 -0.027 6.122 1.00 0.00 N ATOM 67 CA ILE A 8 18.823 -1.002 6.352 1.00 0.00 C ATOM 68 C ILE A 8 18.343 -1.612 5.040 1.00 0.00 C ATOM 69 O ILE A 8 18.189 -0.928 4.028 1.00 0.00 O ATOM 70 CB ILE A 8 17.623 -0.368 7.080 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.742 -0.585 8.590 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.319 -0.951 6.557 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.426 -0.458 9.324 1.00 0.00 C ATOM 0 HA ILE A 8 19.246 -1.786 6.980 1.00 0.00 H new ATOM 0 HB ILE A 8 17.623 0.704 6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.158 -1.575 8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.448 0.138 8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.480 -0.493 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.233 -0.750 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.308 -2.028 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.586 -0.624 10.389 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.018 0.541 9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.724 -1.199 8.943 1.00 0.00 H new ATOM 85 N PRO A 9 18.099 -2.931 5.056 1.00 0.00 N ATOM 86 CA PRO A 9 17.630 -3.663 3.876 1.00 0.00 C ATOM 87 C PRO A 9 16.139 -3.465 3.625 1.00 0.00 C ATOM 88 O PRO A 9 15.360 -3.277 4.560 1.00 0.00 O ATOM 89 CB PRO A 9 17.923 -5.124 4.225 1.00 0.00 C ATOM 90 CG PRO A 9 17.889 -5.172 5.713 1.00 0.00 C ATOM 91 CD PRO A 9 18.261 -3.809 6.227 1.00 0.00 C ATOM 0 HA PRO A 9 18.120 -3.321 2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.179 -5.792 3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.894 -5.436 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.896 -5.454 6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.584 -5.924 6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.614 -3.502 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.284 -3.789 6.602 1.00 0.00 H new ATOM 99 N THR A 10 15.746 -3.507 2.355 1.00 0.00 N ATOM 100 CA THR A 10 14.349 -3.332 1.981 1.00 0.00 C ATOM 101 C THR A 10 13.965 -4.261 0.836 1.00 0.00 C ATOM 102 O THR A 10 14.803 -4.997 0.314 1.00 0.00 O ATOM 103 CB THR A 10 14.057 -1.877 1.567 1.00 0.00 C ATOM 104 OG1 THR A 10 14.943 -1.480 0.514 1.00 0.00 O ATOM 105 CG2 THR A 10 14.213 -0.935 2.751 1.00 0.00 C ATOM 0 H THR A 10 16.377 -3.661 1.568 1.00 0.00 H new ATOM 0 HA THR A 10 13.753 -3.579 2.860 1.00 0.00 H new ATOM 0 HB THR A 10 13.027 -1.823 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.750 -0.555 0.255 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.002 0.086 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.516 -1.222 3.538 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.233 -0.993 3.130 1.00 0.00 H new ATOM 113 N CYS A 11 12.694 -4.223 0.450 1.00 0.00 N ATOM 114 CA CYS A 11 12.199 -5.063 -0.635 1.00 0.00 C ATOM 115 C CYS A 11 10.997 -4.418 -1.317 1.00 0.00 C ATOM 116 O CYS A 11 10.586 -3.314 -0.961 1.00 0.00 O ATOM 117 CB CYS A 11 11.819 -6.446 -0.104 1.00 0.00 C ATOM 118 SG CYS A 11 13.176 -7.641 -0.118 1.00 0.00 S ATOM 0 H CYS A 11 11.988 -3.620 0.872 1.00 0.00 H new ATOM 0 HA CYS A 11 12.996 -5.171 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.451 -6.343 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.997 -6.839 -0.701 1.00 0.00 H new ATOM 0 HG CYS A 11 14.307 -7.015 0.025 1.00 0.00 H new ATOM 124 N LYS A 12 10.437 -5.115 -2.300 1.00 0.00 N ATOM 125 CA LYS A 12 9.282 -4.611 -3.033 1.00 0.00 C ATOM 126 C LYS A 12 8.032 -5.419 -2.700 1.00 0.00 C ATOM 127 O LYS A 12 8.095 -6.638 -2.533 1.00 0.00 O ATOM 128 CB LYS A 12 9.547 -4.661 -4.540 1.00 0.00 C ATOM 129 CG LYS A 12 8.291 -4.528 -5.383 1.00 0.00 C ATOM 130 CD LYS A 12 8.546 -4.916 -6.830 1.00 0.00 C ATOM 131 CE LYS A 12 7.326 -5.576 -7.454 1.00 0.00 C ATOM 132 NZ LYS A 12 7.402 -5.587 -8.941 1.00 0.00 N ATOM 0 H LYS A 12 10.765 -6.031 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 12 9.116 -3.576 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.239 -3.862 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.039 -5.603 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.505 -5.160 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.930 -3.501 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.814 -4.029 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.395 -5.597 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.239 -6.599 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.426 -5.047 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.553 -6.045 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.460 -4.610 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.247 -6.114 -9.242 1.00 0.00 H new ATOM 146 N ILE A 13 6.897 -4.733 -2.606 1.00 0.00 N ATOM 147 CA ILE A 13 5.633 -5.388 -2.295 1.00 0.00 C ATOM 148 C ILE A 13 4.618 -5.185 -3.415 1.00 0.00 C ATOM 149 O ILE A 13 4.290 -4.053 -3.774 1.00 0.00 O ATOM 150 CB ILE A 13 5.036 -4.863 -0.976 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.924 -5.262 0.205 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.623 -5.394 -0.786 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.130 -6.755 0.329 1.00 0.00 C ATOM 0 H ILE A 13 6.828 -3.724 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 13 5.847 -6.452 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 13 4.991 -3.775 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.894 -4.777 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.479 -4.887 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.214 -5.014 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.996 -5.065 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.645 -6.483 -0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.769 -6.964 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.166 -7.245 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.604 -7.133 -0.577 1.00 0.00 H new ATOM 165 N THR A 14 4.122 -6.289 -3.965 1.00 0.00 N ATOM 166 CA THR A 14 3.144 -6.233 -5.044 1.00 0.00 C ATOM 167 C THR A 14 1.880 -7.003 -4.681 1.00 0.00 C ATOM 168 O THR A 14 1.936 -8.189 -4.353 1.00 0.00 O ATOM 169 CB THR A 14 3.720 -6.802 -6.355 1.00 0.00 C ATOM 170 OG1 THR A 14 5.147 -6.678 -6.357 1.00 0.00 O ATOM 171 CG2 THR A 14 3.142 -6.076 -7.560 1.00 0.00 C ATOM 0 H THR A 14 4.382 -7.233 -3.680 1.00 0.00 H new ATOM 0 HA THR A 14 2.896 -5.182 -5.191 1.00 0.00 H new ATOM 0 HB THR A 14 3.446 -7.855 -6.419 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.552 -7.559 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.563 -6.495 -8.474 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.059 -6.196 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.389 -5.016 -7.499 1.00 0.00 H new ATOM 179 N LEU A 15 0.740 -6.324 -4.743 1.00 0.00 N ATOM 180 CA LEU A 15 -0.540 -6.945 -4.422 1.00 0.00 C ATOM 181 C LEU A 15 -1.608 -6.549 -5.436 1.00 0.00 C ATOM 182 O LEU A 15 -1.894 -5.366 -5.623 1.00 0.00 O ATOM 183 CB LEU A 15 -0.984 -6.545 -3.014 1.00 0.00 C ATOM 184 CG LEU A 15 0.101 -6.567 -1.936 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.284 -5.665 -0.773 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.344 -7.989 -1.453 1.00 0.00 C ATOM 0 H LEU A 15 0.676 -5.342 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.411 -8.027 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.403 -5.540 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.789 -7.212 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 15 1.026 -6.189 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.500 -5.693 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.406 -4.643 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.221 -6.012 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.119 -7.985 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.578 -8.394 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.665 -8.608 -2.291 1.00 0.00 H new ATOM 198 N LYS A 16 -2.196 -7.546 -6.088 1.00 0.00 N ATOM 199 CA LYS A 16 -3.235 -7.303 -7.082 1.00 0.00 C ATOM 200 C LYS A 16 -4.556 -7.933 -6.652 1.00 0.00 C ATOM 201 O LYS A 16 -4.756 -9.139 -6.798 1.00 0.00 O ATOM 202 CB LYS A 16 -2.810 -7.862 -8.441 1.00 0.00 C ATOM 203 CG LYS A 16 -1.709 -7.059 -9.112 1.00 0.00 C ATOM 204 CD LYS A 16 -0.333 -7.503 -8.646 1.00 0.00 C ATOM 205 CE LYS A 16 0.058 -8.841 -9.257 1.00 0.00 C ATOM 206 NZ LYS A 16 1.362 -9.330 -8.732 1.00 0.00 N ATOM 0 H LYS A 16 -1.971 -8.531 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.377 -6.226 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.471 -8.890 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.678 -7.893 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.782 -7.172 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.844 -6.000 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.405 -6.748 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.324 -7.582 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.718 -9.577 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.117 -8.742 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.593 -10.243 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.107 -8.640 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.298 -9.449 -7.701 1.00 0.00 H new ATOM 220 N GLU A 17 -5.455 -7.109 -6.123 1.00 0.00 N ATOM 221 CA GLU A 17 -6.757 -7.587 -5.673 1.00 0.00 C ATOM 222 C GLU A 17 -7.882 -6.937 -6.473 1.00 0.00 C ATOM 223 O GLU A 17 -7.823 -5.750 -6.799 1.00 0.00 O ATOM 224 CB GLU A 17 -6.944 -7.298 -4.182 1.00 0.00 C ATOM 225 CG GLU A 17 -7.939 -8.224 -3.502 1.00 0.00 C ATOM 226 CD GLU A 17 -7.617 -8.452 -2.038 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.795 -9.345 -1.744 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.188 -7.739 -1.186 1.00 0.00 O ATOM 0 H GLU A 17 -5.306 -6.108 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.795 -8.664 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.980 -7.383 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.277 -6.267 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.940 -7.802 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.951 -9.182 -4.021 1.00 0.00 H new ATOM 235 N THR A 18 -8.907 -7.722 -6.788 1.00 0.00 N ATOM 236 CA THR A 18 -10.045 -7.225 -7.552 1.00 0.00 C ATOM 237 C THR A 18 -11.173 -6.777 -6.629 1.00 0.00 C ATOM 238 O THR A 18 -11.485 -7.446 -5.644 1.00 0.00 O ATOM 239 CB THR A 18 -10.583 -8.296 -8.519 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.497 -8.925 -9.208 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.541 -7.681 -9.528 1.00 0.00 C ATOM 0 H THR A 18 -8.973 -8.706 -6.526 1.00 0.00 H new ATOM 0 HA THR A 18 -9.690 -6.371 -8.129 1.00 0.00 H new ATOM 0 HB THR A 18 -11.123 -9.042 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.848 -9.606 -9.819 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.908 -8.456 -10.200 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.382 -7.229 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.020 -6.917 -10.105 1.00 0.00 H new ATOM 249 N PHE A 19 -11.782 -5.642 -6.955 1.00 0.00 N ATOM 250 CA PHE A 19 -12.876 -5.104 -6.155 1.00 0.00 C ATOM 251 C PHE A 19 -14.192 -5.162 -6.924 1.00 0.00 C ATOM 252 O PHE A 19 -14.235 -4.894 -8.125 1.00 0.00 O ATOM 253 CB PHE A 19 -12.575 -3.661 -5.745 1.00 0.00 C ATOM 254 CG PHE A 19 -11.473 -3.543 -4.730 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.148 -3.486 -5.131 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.764 -3.488 -3.377 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.133 -3.379 -4.199 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.753 -3.380 -2.440 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.436 -3.324 -2.852 1.00 0.00 C ATOM 0 H PHE A 19 -11.536 -5.077 -7.768 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.972 -5.716 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.304 -3.089 -6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.481 -3.210 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.906 -3.526 -6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.792 -3.530 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.104 -3.338 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.993 -3.340 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.644 -3.237 -2.123 1.00 0.00 H new ATOM 269 N LEU A 20 -15.264 -5.515 -6.224 1.00 0.00 N ATOM 270 CA LEU A 20 -16.583 -5.610 -6.840 1.00 0.00 C ATOM 271 C LEU A 20 -17.223 -4.231 -6.971 1.00 0.00 C ATOM 272 O LEU A 20 -18.426 -4.070 -6.759 1.00 0.00 O ATOM 273 CB LEU A 20 -17.488 -6.528 -6.016 1.00 0.00 C ATOM 274 CG LEU A 20 -17.163 -8.021 -6.078 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.437 -8.570 -7.470 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.715 -8.269 -5.681 1.00 0.00 C ATOM 0 H LEU A 20 -15.246 -5.740 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.461 -6.031 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.443 -6.210 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.516 -6.386 -6.349 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.807 -8.543 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.200 -9.634 -7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.489 -8.427 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.819 -8.043 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.502 -9.337 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.054 -7.735 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.551 -7.913 -4.664 1.00 0.00 H new ATOM 288 N THR A 21 -16.412 -3.239 -7.323 1.00 0.00 N ATOM 289 CA THR A 21 -16.898 -1.874 -7.483 1.00 0.00 C ATOM 290 C THR A 21 -16.174 -1.162 -8.619 1.00 0.00 C ATOM 291 O THR A 21 -15.179 -1.663 -9.144 1.00 0.00 O ATOM 292 CB THR A 21 -16.723 -1.060 -6.187 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.518 0.130 -6.246 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.263 -0.690 -5.974 1.00 0.00 C ATOM 0 H THR A 21 -15.415 -3.355 -7.503 1.00 0.00 H new ATOM 0 HA THR A 21 -17.960 -1.942 -7.720 1.00 0.00 H new ATOM 0 HB THR A 21 -17.051 -1.675 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.467 -0.108 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.164 -0.116 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.664 -1.598 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.913 -0.091 -6.815 1.00 0.00 H new ATOM 302 N SER A 22 -16.678 0.009 -8.995 1.00 0.00 N ATOM 303 CA SER A 22 -16.079 0.789 -10.072 1.00 0.00 C ATOM 304 C SER A 22 -14.875 1.578 -9.567 1.00 0.00 C ATOM 305 O SER A 22 -14.802 1.972 -8.403 1.00 0.00 O ATOM 306 CB SER A 22 -17.113 1.743 -10.673 1.00 0.00 C ATOM 307 OG SER A 22 -18.260 1.039 -11.117 1.00 0.00 O ATOM 0 H SER A 22 -17.500 0.439 -8.570 1.00 0.00 H new ATOM 0 HA SER A 22 -15.740 0.098 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.403 2.485 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.670 2.285 -11.508 1.00 0.00 H new ATOM 0 HG SER A 22 -18.906 1.672 -11.495 1.00 0.00 H new ATOM 313 N PRO A 23 -13.906 1.814 -10.464 1.00 0.00 N ATOM 314 CA PRO A 23 -12.687 2.558 -10.134 1.00 0.00 C ATOM 315 C PRO A 23 -12.983 3.857 -9.391 1.00 0.00 C ATOM 316 O PRO A 23 -12.537 4.051 -8.261 1.00 0.00 O ATOM 317 CB PRO A 23 -12.070 2.854 -11.503 1.00 0.00 C ATOM 318 CG PRO A 23 -12.579 1.770 -12.390 1.00 0.00 C ATOM 319 CD PRO A 23 -13.926 1.374 -11.869 1.00 0.00 C ATOM 0 HA PRO A 23 -12.033 1.993 -9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.368 3.837 -11.868 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.981 2.849 -11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.651 2.117 -13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.899 0.918 -12.387 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.728 1.857 -12.427 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.085 0.299 -11.949 1.00 0.00 H new ATOM 327 N GLU A 24 -13.738 4.742 -10.034 1.00 0.00 N ATOM 328 CA GLU A 24 -14.092 6.022 -9.433 1.00 0.00 C ATOM 329 C GLU A 24 -14.526 5.840 -7.981 1.00 0.00 C ATOM 330 O GLU A 24 -14.264 6.693 -7.133 1.00 0.00 O ATOM 331 CB GLU A 24 -15.212 6.693 -10.231 1.00 0.00 C ATOM 332 CG GLU A 24 -16.604 6.228 -9.835 1.00 0.00 C ATOM 333 CD GLU A 24 -17.699 6.957 -10.590 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.828 6.734 -11.811 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.427 7.751 -9.957 1.00 0.00 O ATOM 0 H GLU A 24 -14.116 4.596 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.209 6.660 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.147 7.773 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.060 6.495 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.692 5.157 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.743 6.380 -8.765 1.00 0.00 H new ATOM 342 N GLU A 25 -15.191 4.723 -7.704 1.00 0.00 N ATOM 343 CA GLU A 25 -15.662 4.429 -6.356 1.00 0.00 C ATOM 344 C GLU A 25 -14.489 4.202 -5.407 1.00 0.00 C ATOM 345 O GLU A 25 -14.220 5.020 -4.526 1.00 0.00 O ATOM 346 CB GLU A 25 -16.571 3.199 -6.365 1.00 0.00 C ATOM 347 CG GLU A 25 -17.441 3.074 -5.126 1.00 0.00 C ATOM 348 CD GLU A 25 -18.798 2.466 -5.424 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.321 2.701 -6.533 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.336 1.757 -4.549 1.00 0.00 O ATOM 0 H GLU A 25 -15.416 4.007 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.231 5.289 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.212 3.238 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.956 2.304 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.927 2.460 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.579 4.060 -4.682 1.00 0.00 H new ATOM 357 N LEU A 26 -13.794 3.084 -5.592 1.00 0.00 N ATOM 358 CA LEU A 26 -12.650 2.747 -4.753 1.00 0.00 C ATOM 359 C LEU A 26 -11.608 3.861 -4.779 1.00 0.00 C ATOM 360 O LEU A 26 -10.797 3.987 -3.862 1.00 0.00 O ATOM 361 CB LEU A 26 -12.020 1.433 -5.220 1.00 0.00 C ATOM 362 CG LEU A 26 -11.025 0.786 -4.256 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.757 0.135 -3.092 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.164 -0.235 -4.984 1.00 0.00 C ATOM 0 H LEU A 26 -14.003 2.396 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.004 2.630 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.820 0.720 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.512 1.613 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.373 1.565 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.033 -0.320 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.330 0.890 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.433 -0.632 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.462 -0.685 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.801 -1.011 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.612 0.259 -5.783 1.00 0.00 H new ATOM 376 N TYR A 27 -11.639 4.668 -5.834 1.00 0.00 N ATOM 377 CA TYR A 27 -10.697 5.772 -5.979 1.00 0.00 C ATOM 378 C TYR A 27 -10.858 6.778 -4.844 1.00 0.00 C ATOM 379 O TYR A 27 -9.970 7.593 -4.591 1.00 0.00 O ATOM 380 CB TYR A 27 -10.900 6.469 -7.326 1.00 0.00 C ATOM 381 CG TYR A 27 -9.913 7.583 -7.586 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.556 7.407 -7.341 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.335 8.813 -8.075 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.650 8.423 -7.576 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.436 9.834 -8.314 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.095 9.634 -8.063 1.00 0.00 C ATOM 387 OH TYR A 27 -7.196 10.649 -8.299 1.00 0.00 O ATOM 0 H TYR A 27 -12.306 4.579 -6.601 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.687 5.363 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.820 5.730 -8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.911 6.874 -7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.204 6.460 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.385 8.974 -8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.599 8.270 -7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.781 10.784 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.630 10.414 -9.064 1.00 0.00 H new ATOM 397 N ARG A 28 -11.997 6.714 -4.162 1.00 0.00 N ATOM 398 CA ARG A 28 -12.276 7.619 -3.053 1.00 0.00 C ATOM 399 C ARG A 28 -11.857 6.996 -1.725 1.00 0.00 C ATOM 400 O ARG A 28 -11.190 7.634 -0.911 1.00 0.00 O ATOM 401 CB ARG A 28 -13.764 7.972 -3.017 1.00 0.00 C ATOM 402 CG ARG A 28 -14.395 8.089 -4.395 1.00 0.00 C ATOM 403 CD ARG A 28 -15.858 7.673 -4.374 1.00 0.00 C ATOM 404 NE ARG A 28 -16.740 8.790 -4.046 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.976 8.639 -3.583 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.473 7.424 -3.396 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.717 9.704 -3.307 1.00 0.00 N ATOM 0 H ARG A 28 -12.742 6.045 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.698 8.530 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.296 7.211 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.892 8.915 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.313 9.117 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.848 7.465 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.134 7.267 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.997 6.875 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.388 9.738 -4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.906 6.603 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.422 7.310 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.338 10.640 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.666 9.587 -2.952 1.00 0.00 H new ATOM 421 N VAL A 29 -12.255 5.745 -1.512 1.00 0.00 N ATOM 422 CA VAL A 29 -11.921 5.035 -0.283 1.00 0.00 C ATOM 423 C VAL A 29 -10.441 5.179 0.050 1.00 0.00 C ATOM 424 O VAL A 29 -10.026 4.968 1.190 1.00 0.00 O ATOM 425 CB VAL A 29 -12.270 3.539 -0.387 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.881 2.810 0.890 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.751 3.357 -0.684 1.00 0.00 C ATOM 0 H VAL A 29 -12.809 5.203 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.514 5.484 0.513 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.702 3.108 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.135 1.754 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.808 2.912 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.420 3.241 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.980 2.294 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.340 3.803 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.995 3.844 -1.628 1.00 0.00 H new ATOM 437 N PHE A 30 -9.647 5.539 -0.953 1.00 0.00 N ATOM 438 CA PHE A 30 -8.210 5.711 -0.768 1.00 0.00 C ATOM 439 C PHE A 30 -7.846 7.190 -0.681 1.00 0.00 C ATOM 440 O PHE A 30 -6.860 7.562 -0.045 1.00 0.00 O ATOM 441 CB PHE A 30 -7.444 5.052 -1.916 1.00 0.00 C ATOM 442 CG PHE A 30 -7.349 3.558 -1.795 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.452 2.758 -2.046 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.158 2.953 -1.428 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.368 1.382 -1.936 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.068 1.579 -1.316 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.174 0.792 -1.569 1.00 0.00 C ATOM 0 H PHE A 30 -9.974 5.717 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.930 5.230 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.932 5.302 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.438 5.470 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.388 3.214 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.290 3.563 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.235 0.770 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.133 1.120 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.106 -0.282 -1.480 1.00 0.00 H new ATOM 457 N THR A 31 -8.650 8.030 -1.326 1.00 0.00 N ATOM 458 CA THR A 31 -8.412 9.468 -1.324 1.00 0.00 C ATOM 459 C THR A 31 -9.468 10.198 -0.501 1.00 0.00 C ATOM 460 O THR A 31 -9.735 11.380 -0.722 1.00 0.00 O ATOM 461 CB THR A 31 -8.407 10.038 -2.754 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.730 10.004 -3.300 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.463 9.249 -3.648 1.00 0.00 C ATOM 0 H THR A 31 -9.471 7.739 -1.856 1.00 0.00 H new ATOM 0 HA THR A 31 -7.432 9.626 -0.875 1.00 0.00 H new ATOM 0 HB THR A 31 -8.060 11.070 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.829 9.211 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.477 9.670 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.451 9.302 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.784 8.208 -3.687 1.00 0.00 H new ATOM 471 N THR A 32 -10.067 9.488 0.450 1.00 0.00 N ATOM 472 CA THR A 32 -11.094 10.069 1.305 1.00 0.00 C ATOM 473 C THR A 32 -10.927 9.614 2.751 1.00 0.00 C ATOM 474 O THR A 32 -11.219 8.467 3.087 1.00 0.00 O ATOM 475 CB THR A 32 -12.507 9.693 0.820 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.641 9.987 -0.575 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.568 10.448 1.607 1.00 0.00 C ATOM 0 H THR A 32 -9.858 8.509 0.647 1.00 0.00 H new ATOM 0 HA THR A 32 -10.976 11.151 1.251 1.00 0.00 H new ATOM 0 HB THR A 32 -12.650 8.624 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.574 10.210 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.557 10.166 1.247 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.482 10.199 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.425 11.520 1.474 1.00 0.00 H new ATOM 485 N GLN A 33 -10.458 10.521 3.601 1.00 0.00 N ATOM 486 CA GLN A 33 -10.253 10.212 5.011 1.00 0.00 C ATOM 487 C GLN A 33 -11.433 9.427 5.573 1.00 0.00 C ATOM 488 O GLN A 33 -11.291 8.268 5.962 1.00 0.00 O ATOM 489 CB GLN A 33 -10.052 11.498 5.813 1.00 0.00 C ATOM 490 CG GLN A 33 -9.966 11.272 7.314 1.00 0.00 C ATOM 491 CD GLN A 33 -9.666 12.546 8.080 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.408 13.594 7.487 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.698 12.462 9.405 1.00 0.00 N ATOM 0 H GLN A 33 -10.213 11.476 3.338 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.357 9.596 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.139 11.988 5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.876 12.180 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.907 10.852 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.190 10.536 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.916 11.573 9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.504 13.287 9.973 1.00 0.00 H new ATOM 502 N GLU A 34 -12.598 10.066 5.613 1.00 0.00 N ATOM 503 CA GLU A 34 -13.802 9.427 6.129 1.00 0.00 C ATOM 504 C GLU A 34 -13.875 7.968 5.689 1.00 0.00 C ATOM 505 O GLU A 34 -13.855 7.056 6.517 1.00 0.00 O ATOM 506 CB GLU A 34 -15.048 10.177 5.654 1.00 0.00 C ATOM 507 CG GLU A 34 -16.352 9.524 6.081 1.00 0.00 C ATOM 508 CD GLU A 34 -16.847 10.030 7.422 1.00 0.00 C ATOM 509 OE1 GLU A 34 -16.625 11.221 7.724 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.456 9.235 8.168 1.00 0.00 O ATOM 0 H GLU A 34 -12.733 11.025 5.294 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.761 9.459 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.018 11.196 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.026 10.248 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.113 9.711 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.213 8.444 6.133 1.00 0.00 H new ATOM 517 N LEU A 35 -13.960 7.754 4.381 1.00 0.00 N ATOM 518 CA LEU A 35 -14.036 6.406 3.829 1.00 0.00 C ATOM 519 C LEU A 35 -12.970 5.505 4.442 1.00 0.00 C ATOM 520 O LEU A 35 -13.184 4.307 4.624 1.00 0.00 O ATOM 521 CB LEU A 35 -13.873 6.446 2.308 1.00 0.00 C ATOM 522 CG LEU A 35 -14.887 7.301 1.546 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.702 7.139 0.046 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.307 6.933 1.953 1.00 0.00 C ATOM 0 H LEU A 35 -13.978 8.497 3.682 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.016 5.996 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.873 6.814 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.931 5.425 1.930 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.716 8.347 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.432 7.755 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.696 7.452 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.845 6.094 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.015 7.551 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.489 5.882 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.434 7.102 3.022 1.00 0.00 H new ATOM 536 N VAL A 36 -11.820 6.091 4.762 1.00 0.00 N ATOM 537 CA VAL A 36 -10.720 5.342 5.359 1.00 0.00 C ATOM 538 C VAL A 36 -11.039 4.950 6.797 1.00 0.00 C ATOM 539 O VAL A 36 -10.861 3.797 7.190 1.00 0.00 O ATOM 540 CB VAL A 36 -9.412 6.154 5.338 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.240 5.290 5.777 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.167 6.735 3.953 1.00 0.00 C ATOM 0 H VAL A 36 -11.626 7.082 4.618 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.589 4.441 4.760 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.507 6.981 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.324 5.881 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.415 4.927 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.140 4.441 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.238 7.306 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.092 5.926 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.995 7.391 3.682 1.00 0.00 H new ATOM 552 N GLN A 37 -11.513 5.916 7.577 1.00 0.00 N ATOM 553 CA GLN A 37 -11.857 5.671 8.972 1.00 0.00 C ATOM 554 C GLN A 37 -13.023 4.695 9.082 1.00 0.00 C ATOM 555 O GLN A 37 -13.425 4.314 10.181 1.00 0.00 O ATOM 556 CB GLN A 37 -12.209 6.985 9.671 1.00 0.00 C ATOM 557 CG GLN A 37 -11.024 7.645 10.360 1.00 0.00 C ATOM 558 CD GLN A 37 -11.372 8.996 10.953 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.489 9.141 12.170 1.00 0.00 O ATOM 560 NE2 GLN A 37 -11.539 9.994 10.093 1.00 0.00 N ATOM 0 H GLN A 37 -11.667 6.875 7.266 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.989 5.228 9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.624 7.677 8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.989 6.797 10.409 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.657 6.990 11.150 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.212 7.766 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.432 9.828 9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.774 10.926 10.433 1.00 0.00 H new ATOM 569 N ALA A 38 -13.563 4.295 7.936 1.00 0.00 N ATOM 570 CA ALA A 38 -14.683 3.362 7.903 1.00 0.00 C ATOM 571 C ALA A 38 -14.193 1.918 7.851 1.00 0.00 C ATOM 572 O ALA A 38 -14.634 1.074 8.631 1.00 0.00 O ATOM 573 CB ALA A 38 -15.583 3.659 6.713 1.00 0.00 C ATOM 0 H ALA A 38 -13.243 4.602 7.018 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.258 3.491 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.415 2.955 6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.969 4.675 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.011 3.560 5.791 1.00 0.00 H new ATOM 579 N PHE A 39 -13.280 1.641 6.927 1.00 0.00 N ATOM 580 CA PHE A 39 -12.731 0.299 6.772 1.00 0.00 C ATOM 581 C PHE A 39 -11.555 0.080 7.719 1.00 0.00 C ATOM 582 O PHE A 39 -11.024 -1.027 7.823 1.00 0.00 O ATOM 583 CB PHE A 39 -12.286 0.071 5.326 1.00 0.00 C ATOM 584 CG PHE A 39 -10.985 0.739 4.987 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.786 0.231 5.461 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.960 1.874 4.193 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.587 0.845 5.151 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.764 2.492 3.879 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.576 1.976 4.358 1.00 0.00 C ATOM 0 H PHE A 39 -12.904 2.328 6.274 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.513 -0.418 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.192 -1.000 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.061 0.440 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.788 -0.654 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.886 2.281 3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.659 0.441 5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.759 3.377 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.640 2.456 4.113 1.00 0.00 H new ATOM 599 N THR A 40 -11.151 1.143 8.408 1.00 0.00 N ATOM 600 CA THR A 40 -10.037 1.068 9.344 1.00 0.00 C ATOM 601 C THR A 40 -10.525 1.149 10.786 1.00 0.00 C ATOM 602 O THR A 40 -9.804 0.787 11.717 1.00 0.00 O ATOM 603 CB THR A 40 -9.017 2.196 9.095 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.648 3.471 9.255 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.424 2.090 7.699 1.00 0.00 C ATOM 0 H THR A 40 -11.579 2.066 8.335 1.00 0.00 H new ATOM 0 HA THR A 40 -9.551 0.106 9.181 1.00 0.00 H new ATOM 0 HB THR A 40 -8.212 2.096 9.823 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.377 3.559 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.707 2.897 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.919 1.130 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.220 2.167 6.959 1.00 0.00 H new ATOM 613 N HIS A 41 -11.753 1.625 10.965 1.00 0.00 N ATOM 614 CA HIS A 41 -12.337 1.752 12.295 1.00 0.00 C ATOM 615 C HIS A 41 -11.308 2.273 13.294 1.00 0.00 C ATOM 616 O HIS A 41 -11.255 1.822 14.437 1.00 0.00 O ATOM 617 CB HIS A 41 -12.885 0.404 12.765 1.00 0.00 C ATOM 618 CG HIS A 41 -13.925 -0.170 11.854 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.259 0.173 11.923 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.822 -1.069 10.847 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.931 -0.490 11.000 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.082 -1.251 10.333 1.00 0.00 N ATOM 0 H HIS A 41 -12.363 1.929 10.206 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.156 2.469 12.238 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.060 -0.303 12.853 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.311 0.522 13.761 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.917 -1.553 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.994 -0.422 10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.323 -1.873 9.561 1.00 0.00 H new ATOM 631 N ALA A 42 -10.491 3.224 12.853 1.00 0.00 N ATOM 632 CA ALA A 42 -9.464 3.806 13.708 1.00 0.00 C ATOM 633 C ALA A 42 -9.150 5.239 13.291 1.00 0.00 C ATOM 634 O ALA A 42 -9.290 5.617 12.128 1.00 0.00 O ATOM 635 CB ALA A 42 -8.203 2.956 13.673 1.00 0.00 C ATOM 0 H ALA A 42 -10.521 3.608 11.908 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.846 3.827 14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.445 3.403 14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.432 1.951 14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.827 2.904 12.651 1.00 0.00 H new ATOM 641 N PRO A 43 -8.716 6.057 14.261 1.00 0.00 N ATOM 642 CA PRO A 43 -8.374 7.461 14.018 1.00 0.00 C ATOM 643 C PRO A 43 -7.471 7.636 12.802 1.00 0.00 C ATOM 644 O PRO A 43 -6.247 7.578 12.912 1.00 0.00 O ATOM 645 CB PRO A 43 -7.636 7.872 15.295 1.00 0.00 C ATOM 646 CG PRO A 43 -8.163 6.959 16.348 1.00 0.00 C ATOM 647 CD PRO A 43 -8.526 5.673 15.670 1.00 0.00 C ATOM 0 HA PRO A 43 -9.257 8.064 13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.557 7.764 15.181 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.827 8.916 15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.414 6.789 17.122 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.033 7.396 16.837 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.738 4.928 15.778 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.433 5.241 16.092 1.00 0.00 H new ATOM 655 N ALA A 44 -8.084 7.850 11.642 1.00 0.00 N ATOM 656 CA ALA A 44 -7.335 8.035 10.405 1.00 0.00 C ATOM 657 C ALA A 44 -7.509 9.451 9.865 1.00 0.00 C ATOM 658 O ALA A 44 -8.606 10.009 9.900 1.00 0.00 O ATOM 659 CB ALA A 44 -7.771 7.014 9.366 1.00 0.00 C ATOM 0 H ALA A 44 -9.097 7.899 11.533 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.278 7.885 10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.203 7.164 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.588 6.008 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.834 7.136 9.159 1.00 0.00 H new ATOM 665 N THR A 45 -6.420 10.027 9.366 1.00 0.00 N ATOM 666 CA THR A 45 -6.452 11.378 8.820 1.00 0.00 C ATOM 667 C THR A 45 -5.887 11.412 7.405 1.00 0.00 C ATOM 668 O THR A 45 -4.671 11.429 7.210 1.00 0.00 O ATOM 669 CB THR A 45 -5.656 12.359 9.702 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.300 12.509 10.972 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.534 13.716 9.026 1.00 0.00 C ATOM 0 H THR A 45 -5.505 9.579 9.329 1.00 0.00 H new ATOM 0 HA THR A 45 -7.497 11.686 8.799 1.00 0.00 H new ATOM 0 HB THR A 45 -4.655 11.952 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.787 13.133 11.527 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.968 14.392 9.667 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.018 13.603 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.529 14.127 8.853 1.00 0.00 H new ATOM 679 N LEU A 46 -6.777 11.424 6.418 1.00 0.00 N ATOM 680 CA LEU A 46 -6.367 11.458 5.019 1.00 0.00 C ATOM 681 C LEU A 46 -6.618 12.834 4.411 1.00 0.00 C ATOM 682 O LEU A 46 -7.621 13.480 4.708 1.00 0.00 O ATOM 683 CB LEU A 46 -7.118 10.390 4.221 1.00 0.00 C ATOM 684 CG LEU A 46 -6.450 9.925 2.926 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.730 8.451 2.681 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.926 10.764 1.749 1.00 0.00 C ATOM 0 H LEU A 46 -7.787 11.411 6.561 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.298 11.251 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.264 9.521 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.108 10.776 3.977 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.373 10.057 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.247 8.138 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.339 7.863 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.806 8.293 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.440 10.419 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.006 10.665 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.673 11.810 1.922 1.00 0.00 H new ATOM 698 N GLU A 47 -5.700 13.274 3.556 1.00 0.00 N ATOM 699 CA GLU A 47 -5.823 14.573 2.905 1.00 0.00 C ATOM 700 C GLU A 47 -5.544 14.461 1.409 1.00 0.00 C ATOM 701 O GLU A 47 -4.392 14.495 0.977 1.00 0.00 O ATOM 702 CB GLU A 47 -4.862 15.580 3.540 1.00 0.00 C ATOM 703 CG GLU A 47 -5.185 15.897 4.991 1.00 0.00 C ATOM 704 CD GLU A 47 -6.291 16.925 5.131 1.00 0.00 C ATOM 705 OE1 GLU A 47 -6.388 17.814 4.259 1.00 0.00 O ATOM 706 OE2 GLU A 47 -7.059 16.840 6.112 1.00 0.00 O ATOM 0 H GLU A 47 -4.864 12.750 3.298 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.846 14.923 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.847 15.188 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.882 16.504 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.479 14.980 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.287 16.265 5.487 1.00 0.00 H new ATOM 713 N ALA A 48 -6.607 14.326 0.623 1.00 0.00 N ATOM 714 CA ALA A 48 -6.477 14.210 -0.824 1.00 0.00 C ATOM 715 C ALA A 48 -5.818 15.451 -1.418 1.00 0.00 C ATOM 716 O ALA A 48 -6.483 16.453 -1.681 1.00 0.00 O ATOM 717 CB ALA A 48 -7.841 13.980 -1.460 1.00 0.00 C ATOM 0 H ALA A 48 -7.568 14.294 0.964 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.838 13.353 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.729 13.895 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.275 13.061 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.497 14.819 -1.228 1.00 0.00 H new ATOM 723 N ASP A 49 -4.508 15.376 -1.625 1.00 0.00 N ATOM 724 CA ASP A 49 -3.759 16.494 -2.187 1.00 0.00 C ATOM 725 C ASP A 49 -2.306 16.101 -2.441 1.00 0.00 C ATOM 726 O ASP A 49 -1.726 15.314 -1.694 1.00 0.00 O ATOM 727 CB ASP A 49 -3.817 17.699 -1.248 1.00 0.00 C ATOM 728 CG ASP A 49 -4.997 18.605 -1.542 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.468 18.609 -2.698 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.449 19.311 -0.615 1.00 0.00 O ATOM 0 H ASP A 49 -3.943 14.554 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.216 16.763 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.878 17.350 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.893 18.270 -1.337 1.00 0.00 H new ATOM 735 N ARG A 50 -1.726 16.655 -3.501 1.00 0.00 N ATOM 736 CA ARG A 50 -0.342 16.360 -3.855 1.00 0.00 C ATOM 737 C ARG A 50 0.604 16.759 -2.726 1.00 0.00 C ATOM 738 O ARG A 50 0.986 17.922 -2.605 1.00 0.00 O ATOM 739 CB ARG A 50 0.044 17.092 -5.141 1.00 0.00 C ATOM 740 CG ARG A 50 -0.362 16.354 -6.407 1.00 0.00 C ATOM 741 CD ARG A 50 0.335 16.925 -7.632 1.00 0.00 C ATOM 742 NE ARG A 50 -0.475 16.782 -8.839 1.00 0.00 N ATOM 743 CZ ARG A 50 -0.492 15.684 -9.586 1.00 0.00 C ATOM 744 NH1 ARG A 50 0.253 14.639 -9.252 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.255 15.629 -10.670 1.00 0.00 N ATOM 0 H ARG A 50 -2.192 17.310 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.255 15.286 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.420 18.078 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.123 17.247 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.117 15.297 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.442 16.420 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.554 17.980 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.290 16.419 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.059 17.568 -9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.841 14.677 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.238 13.797 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.829 16.431 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.267 14.785 -11.243 1.00 0.00 H new ATOM 759 N GLY A 51 0.978 15.785 -1.902 1.00 0.00 N ATOM 760 CA GLY A 51 1.876 16.055 -0.794 1.00 0.00 C ATOM 761 C GLY A 51 1.177 15.983 0.549 1.00 0.00 C ATOM 762 O GLY A 51 1.804 16.155 1.593 1.00 0.00 O ATOM 0 H GLY A 51 0.675 14.814 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.696 15.338 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.315 17.045 -0.919 1.00 0.00 H new ATOM 766 N GLY A 52 -0.128 15.729 0.523 1.00 0.00 N ATOM 767 CA GLY A 52 -0.892 15.641 1.754 1.00 0.00 C ATOM 768 C GLY A 52 -0.394 14.540 2.668 1.00 0.00 C ATOM 769 O GLY A 52 0.557 13.831 2.338 1.00 0.00 O ATOM 0 H GLY A 52 -0.670 15.583 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.841 16.595 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.941 15.464 1.515 1.00 0.00 H new ATOM 773 N LYS A 53 -1.037 14.394 3.822 1.00 0.00 N ATOM 774 CA LYS A 53 -0.654 13.371 4.788 1.00 0.00 C ATOM 775 C LYS A 53 -1.825 12.441 5.087 1.00 0.00 C ATOM 776 O LYS A 53 -2.921 12.892 5.418 1.00 0.00 O ATOM 777 CB LYS A 53 -0.162 14.022 6.082 1.00 0.00 C ATOM 778 CG LYS A 53 1.334 14.284 6.102 1.00 0.00 C ATOM 779 CD LYS A 53 1.753 15.207 4.970 1.00 0.00 C ATOM 780 CE LYS A 53 3.119 15.824 5.231 1.00 0.00 C ATOM 781 NZ LYS A 53 4.221 14.855 4.980 1.00 0.00 N ATOM 0 H LYS A 53 -1.826 14.972 4.111 1.00 0.00 H new ATOM 0 HA LYS A 53 0.154 12.781 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.689 14.965 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.421 13.379 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.614 14.728 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.871 13.339 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.777 14.649 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.012 15.998 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.251 16.698 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.169 16.172 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.136 15.313 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.110 14.033 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.189 14.542 3.989 1.00 0.00 H new ATOM 795 N PHE A 54 -1.585 11.139 4.969 1.00 0.00 N ATOM 796 CA PHE A 54 -2.620 10.144 5.227 1.00 0.00 C ATOM 797 C PHE A 54 -2.218 9.229 6.379 1.00 0.00 C ATOM 798 O PHE A 54 -1.207 8.530 6.309 1.00 0.00 O ATOM 799 CB PHE A 54 -2.884 9.314 3.969 1.00 0.00 C ATOM 800 CG PHE A 54 -1.865 8.236 3.737 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.968 7.015 4.385 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.803 8.444 2.872 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.031 6.021 4.173 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.137 7.453 2.656 1.00 0.00 C ATOM 805 CZ PHE A 54 0.023 6.241 3.308 1.00 0.00 C ATOM 0 H PHE A 54 -0.683 10.748 4.696 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.534 10.669 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.872 8.859 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.903 9.977 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.790 6.838 5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.708 9.391 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.123 5.074 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.960 7.627 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.757 5.466 3.142 1.00 0.00 H new ATOM 815 N HIS A 55 -3.018 9.238 7.441 1.00 0.00 N ATOM 816 CA HIS A 55 -2.747 8.408 8.610 1.00 0.00 C ATOM 817 C HIS A 55 -3.907 7.454 8.880 1.00 0.00 C ATOM 818 O HIS A 55 -5.072 7.844 8.813 1.00 0.00 O ATOM 819 CB HIS A 55 -2.497 9.285 9.837 1.00 0.00 C ATOM 820 CG HIS A 55 -1.435 8.752 10.748 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.998 7.445 10.711 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.719 9.359 11.723 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.061 7.270 11.626 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.128 8.417 12.253 1.00 0.00 N ATOM 0 H HIS A 55 -3.859 9.811 7.516 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.854 7.817 8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.213 10.284 9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.427 9.386 10.397 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.344 6.725 10.076 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.799 10.392 12.028 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.461 6.346 11.827 1.00 0.00 H new ATOM 833 N MET A 56 -3.578 6.202 9.183 1.00 0.00 N ATOM 834 CA MET A 56 -4.593 5.193 9.462 1.00 0.00 C ATOM 835 C MET A 56 -4.097 4.199 10.507 1.00 0.00 C ATOM 836 O MET A 56 -2.951 4.269 10.951 1.00 0.00 O ATOM 837 CB MET A 56 -4.975 4.454 8.179 1.00 0.00 C ATOM 838 CG MET A 56 -3.863 4.420 7.143 1.00 0.00 C ATOM 839 SD MET A 56 -3.826 2.875 6.214 1.00 0.00 S ATOM 840 CE MET A 56 -5.436 2.912 5.430 1.00 0.00 C ATOM 0 H MET A 56 -2.618 5.863 9.241 1.00 0.00 H new ATOM 0 HA MET A 56 -5.474 5.699 9.856 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.259 3.432 8.429 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.853 4.931 7.742 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.991 5.252 6.451 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.904 4.563 7.640 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.351 2.547 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.126 2.277 5.985 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.813 3.935 5.420 1.00 0.00 H new ATOM 850 N VAL A 57 -4.967 3.272 10.897 1.00 0.00 N ATOM 851 CA VAL A 57 -4.617 2.263 11.889 1.00 0.00 C ATOM 852 C VAL A 57 -4.385 2.894 13.257 1.00 0.00 C ATOM 853 O VAL A 57 -3.540 2.438 14.027 1.00 0.00 O ATOM 854 CB VAL A 57 -3.355 1.483 11.475 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.144 0.285 12.388 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.452 1.046 10.021 1.00 0.00 C ATOM 0 H VAL A 57 -5.920 3.199 10.540 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.459 1.573 11.949 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.492 2.142 11.575 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.248 -0.254 12.080 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.026 0.627 13.416 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.006 -0.378 12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.552 0.496 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.323 0.404 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.550 1.924 9.383 1.00 0.00 H new ATOM 866 N ASP A 58 -5.140 3.946 13.552 1.00 0.00 N ATOM 867 CA ASP A 58 -5.019 4.641 14.829 1.00 0.00 C ATOM 868 C ASP A 58 -3.675 5.355 14.933 1.00 0.00 C ATOM 869 O ASP A 58 -3.014 5.308 15.969 1.00 0.00 O ATOM 870 CB ASP A 58 -5.177 3.654 15.987 1.00 0.00 C ATOM 871 CG ASP A 58 -5.777 4.301 17.220 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.166 5.255 17.747 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.857 3.854 17.658 1.00 0.00 O ATOM 0 H ASP A 58 -5.843 4.337 12.924 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.812 5.387 14.886 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.810 2.825 15.670 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.203 3.234 16.238 1.00 0.00 H new ATOM 878 N GLY A 59 -3.276 6.016 13.850 1.00 0.00 N ATOM 879 CA GLY A 59 -2.013 6.730 13.840 1.00 0.00 C ATOM 880 C GLY A 59 -0.819 5.796 13.838 1.00 0.00 C ATOM 881 O GLY A 59 0.249 6.142 14.342 1.00 0.00 O ATOM 0 H GLY A 59 -3.805 6.069 12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.969 7.372 12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.960 7.381 14.713 1.00 0.00 H new ATOM 885 N ASN A 60 -1.001 4.608 13.271 1.00 0.00 N ATOM 886 CA ASN A 60 0.070 3.620 13.208 1.00 0.00 C ATOM 887 C ASN A 60 0.697 3.585 11.817 1.00 0.00 C ATOM 888 O ASN A 60 1.844 3.170 11.651 1.00 0.00 O ATOM 889 CB ASN A 60 -0.465 2.233 13.573 1.00 0.00 C ATOM 890 CG ASN A 60 -0.381 1.955 15.061 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.627 1.448 15.554 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.443 2.287 15.786 1.00 0.00 N ATOM 0 H ASN A 60 -1.879 4.306 12.849 1.00 0.00 H new ATOM 0 HA ASN A 60 0.838 3.907 13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.502 2.150 13.248 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.100 1.474 13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.444 2.124 16.793 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.257 2.705 15.336 1.00 0.00 H new ATOM 899 N VAL A 61 -0.064 4.024 10.820 1.00 0.00 N ATOM 900 CA VAL A 61 0.416 4.045 9.443 1.00 0.00 C ATOM 901 C VAL A 61 0.208 5.416 8.810 1.00 0.00 C ATOM 902 O VAL A 61 -0.924 5.861 8.627 1.00 0.00 O ATOM 903 CB VAL A 61 -0.294 2.982 8.584 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.146 3.087 7.132 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.025 1.588 9.132 1.00 0.00 C ATOM 0 H VAL A 61 -1.016 4.370 10.940 1.00 0.00 H new ATOM 0 HA VAL A 61 1.482 3.821 9.476 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.368 3.164 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.366 2.328 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.103 4.076 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.223 2.932 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.534 0.849 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.047 1.393 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.395 1.521 10.155 1.00 0.00 H new ATOM 915 N SER A 62 1.310 6.080 8.476 1.00 0.00 N ATOM 916 CA SER A 62 1.249 7.403 7.865 1.00 0.00 C ATOM 917 C SER A 62 1.935 7.404 6.502 1.00 0.00 C ATOM 918 O SER A 62 2.492 6.394 6.074 1.00 0.00 O ATOM 919 CB SER A 62 1.905 8.441 8.778 1.00 0.00 C ATOM 920 OG SER A 62 3.239 8.077 9.088 1.00 0.00 O ATOM 0 H SER A 62 2.255 5.724 8.618 1.00 0.00 H new ATOM 0 HA SER A 62 0.200 7.663 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.895 9.416 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.328 8.537 9.698 1.00 0.00 H new ATOM 0 HG SER A 62 3.637 8.757 9.671 1.00 0.00 H new ATOM 926 N GLY A 63 1.888 8.547 5.824 1.00 0.00 N ATOM 927 CA GLY A 63 2.508 8.659 4.516 1.00 0.00 C ATOM 928 C GLY A 63 2.290 10.021 3.887 1.00 0.00 C ATOM 929 O GLY A 63 1.818 10.947 4.545 1.00 0.00 O ATOM 0 H GLY A 63 1.432 9.397 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.578 8.471 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.104 7.889 3.858 1.00 0.00 H new ATOM 933 N GLU A 64 2.637 10.143 2.609 1.00 0.00 N ATOM 934 CA GLU A 64 2.479 11.403 1.892 1.00 0.00 C ATOM 935 C GLU A 64 2.160 11.155 0.421 1.00 0.00 C ATOM 936 O GLU A 64 2.716 10.251 -0.203 1.00 0.00 O ATOM 937 CB GLU A 64 3.749 12.248 2.015 1.00 0.00 C ATOM 938 CG GLU A 64 4.750 12.009 0.897 1.00 0.00 C ATOM 939 CD GLU A 64 5.933 12.955 0.961 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.212 13.482 2.059 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.580 13.169 -0.085 1.00 0.00 O ATOM 0 H GLU A 64 3.029 9.385 2.050 1.00 0.00 H new ATOM 0 HA GLU A 64 1.646 11.945 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.474 13.303 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.227 12.034 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.108 10.981 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.249 12.124 -0.064 1.00 0.00 H new ATOM 948 N PHE A 65 1.262 11.966 -0.128 1.00 0.00 N ATOM 949 CA PHE A 65 0.867 11.835 -1.526 1.00 0.00 C ATOM 950 C PHE A 65 1.880 12.513 -2.443 1.00 0.00 C ATOM 951 O PHE A 65 2.188 13.694 -2.283 1.00 0.00 O ATOM 952 CB PHE A 65 -0.521 12.440 -1.745 1.00 0.00 C ATOM 953 CG PHE A 65 -1.641 11.563 -1.262 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.480 10.766 -0.140 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.854 11.535 -1.931 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.508 9.958 0.307 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.886 10.729 -1.488 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.713 9.939 -0.369 1.00 0.00 C ATOM 0 H PHE A 65 0.794 12.721 0.374 1.00 0.00 H new ATOM 0 HA PHE A 65 0.835 10.773 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.575 13.400 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.658 12.639 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.540 10.776 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.995 12.149 -2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.370 9.342 1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.827 10.717 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.518 9.307 -0.023 1.00 0.00 H new ATOM 968 N THR A 66 2.397 11.756 -3.406 1.00 0.00 N ATOM 969 CA THR A 66 3.376 12.281 -4.349 1.00 0.00 C ATOM 970 C THR A 66 2.747 12.531 -5.714 1.00 0.00 C ATOM 971 O THR A 66 3.065 13.513 -6.385 1.00 0.00 O ATOM 972 CB THR A 66 4.569 11.320 -4.514 1.00 0.00 C ATOM 973 OG1 THR A 66 4.098 10.009 -4.847 1.00 0.00 O ATOM 974 CG2 THR A 66 5.395 11.259 -3.239 1.00 0.00 C ATOM 0 H THR A 66 2.153 10.776 -3.553 1.00 0.00 H new ATOM 0 HA THR A 66 3.734 13.226 -3.939 1.00 0.00 H new ATOM 0 HB THR A 66 5.201 11.695 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.122 9.981 -4.765 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.231 10.574 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.775 12.253 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.771 10.906 -2.418 1.00 0.00 H new ATOM 982 N ASP A 67 1.851 11.638 -6.120 1.00 0.00 N ATOM 983 CA ASP A 67 1.175 11.763 -7.406 1.00 0.00 C ATOM 984 C ASP A 67 -0.293 11.363 -7.289 1.00 0.00 C ATOM 985 O ASP A 67 -0.641 10.452 -6.538 1.00 0.00 O ATOM 986 CB ASP A 67 1.870 10.897 -8.458 1.00 0.00 C ATOM 987 CG ASP A 67 1.747 11.473 -9.855 1.00 0.00 C ATOM 988 OD1 ASP A 67 2.448 12.463 -10.153 1.00 0.00 O ATOM 989 OD2 ASP A 67 0.951 10.933 -10.651 1.00 0.00 O ATOM 0 H ASP A 67 1.576 10.820 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 67 1.225 12.807 -7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.925 10.795 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.440 9.896 -8.442 1.00 0.00 H new ATOM 994 N LEU A 68 -1.149 12.052 -8.036 1.00 0.00 N ATOM 995 CA LEU A 68 -2.580 11.770 -8.016 1.00 0.00 C ATOM 996 C LEU A 68 -3.189 11.946 -9.403 1.00 0.00 C ATOM 997 O LEU A 68 -3.282 13.062 -9.915 1.00 0.00 O ATOM 998 CB LEU A 68 -3.286 12.687 -7.016 1.00 0.00 C ATOM 999 CG LEU A 68 -2.913 12.491 -5.546 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.421 13.653 -4.707 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.468 11.173 -5.026 1.00 0.00 C ATOM 0 H LEU A 68 -0.877 12.809 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.717 10.733 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.074 13.721 -7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.362 12.544 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.826 12.461 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.146 13.496 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.975 14.582 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.506 13.715 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.193 11.050 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.554 11.174 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.055 10.349 -5.608 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.605 10.837 -10.007 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.209 10.869 -11.333 1.00 0.00 C ATOM 1015 C VAL A 69 -5.682 10.479 -11.276 1.00 0.00 C ATOM 1016 O VAL A 69 -6.077 9.552 -10.570 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.477 9.925 -12.306 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -3.980 10.128 -13.727 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -1.973 10.142 -12.228 1.00 0.00 C ATOM 0 H VAL A 69 -3.534 9.905 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.121 11.893 -11.696 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.688 8.896 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.452 9.453 -14.400 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.049 9.918 -13.768 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.801 11.159 -14.033 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.472 9.467 -12.922 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.740 11.173 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.629 9.941 -11.214 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.515 11.204 -12.038 1.00 0.00 N ATOM 1030 CA PRO A 70 -7.958 10.952 -12.092 1.00 0.00 C ATOM 1031 C PRO A 70 -8.282 9.475 -12.294 1.00 0.00 C ATOM 1032 O PRO A 70 -7.975 8.901 -13.339 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.416 11.770 -13.302 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.411 12.863 -13.422 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.113 12.324 -12.904 1.00 0.00 C ATOM 0 HA PRO A 70 -8.455 11.227 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.446 11.159 -14.204 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.419 12.169 -13.153 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.310 13.181 -14.460 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.722 13.737 -12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.467 11.989 -13.716 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.560 13.081 -12.348 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.903 8.867 -11.288 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.267 7.457 -11.357 1.00 0.00 C ATOM 1045 C GLU A 71 -8.318 6.694 -12.277 1.00 0.00 C ATOM 1046 O GLU A 71 -8.751 5.950 -13.157 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.707 7.303 -11.851 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.684 8.256 -11.185 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.039 8.272 -11.865 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.314 7.352 -12.664 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.826 9.205 -11.598 1.00 0.00 O ATOM 0 H GLU A 71 -9.164 9.328 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.188 7.038 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.732 7.465 -12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.035 6.278 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.809 7.971 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.266 9.263 -11.192 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.019 6.885 -12.067 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.007 6.216 -12.875 1.00 0.00 C ATOM 1060 C LYS A 72 -4.991 5.500 -11.991 1.00 0.00 C ATOM 1061 O LYS A 72 -4.805 4.287 -12.099 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.292 7.227 -13.775 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.116 7.662 -14.975 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.728 6.891 -16.226 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.264 7.103 -16.579 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.400 6.018 -16.037 1.00 0.00 N ATOM 0 H LYS A 72 -6.643 7.498 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.508 5.475 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.032 8.106 -13.185 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.357 6.791 -14.126 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.175 7.509 -14.766 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.976 8.729 -15.146 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.916 5.828 -16.073 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.354 7.209 -17.060 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.154 7.147 -17.663 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.931 8.063 -16.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.624 6.435 -15.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.966 5.397 -15.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.005 5.463 -16.823 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.337 6.257 -11.115 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.342 5.693 -10.211 1.00 0.00 C ATOM 1082 C HIS A 73 -3.015 6.670 -9.086 1.00 0.00 C ATOM 1083 O HIS A 73 -3.306 7.863 -9.182 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.068 5.336 -10.978 1.00 0.00 C ATOM 1085 CG HIS A 73 -0.970 6.341 -10.815 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.362 5.993 -10.730 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.011 7.691 -10.724 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.092 7.086 -10.592 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.283 8.130 -10.586 1.00 0.00 N ATOM 0 H HIS A 73 -4.479 7.262 -11.013 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.759 4.786 -9.772 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.712 4.363 -10.641 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.306 5.239 -12.037 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.897 8.308 -10.754 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.168 7.120 -10.500 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.572 9.104 -10.494 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.409 6.157 -8.020 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.043 6.985 -6.877 1.00 0.00 C ATOM 1100 C ILE A 74 -0.682 6.583 -6.321 1.00 0.00 C ATOM 1101 O ILE A 74 -0.434 5.410 -6.044 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.093 6.890 -5.754 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.474 7.283 -6.282 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.696 7.775 -4.582 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.609 6.872 -5.370 1.00 0.00 C ATOM 0 H ILE A 74 -2.161 5.172 -7.924 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.997 8.014 -7.234 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.139 5.858 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.506 8.363 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.623 6.828 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.448 7.697 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.730 7.452 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.625 8.810 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.558 7.183 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.603 5.789 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.485 7.348 -4.397 1.00 0.00 H new ATOM 1117 N VAL A 75 0.199 7.566 -6.159 1.00 0.00 N ATOM 1118 CA VAL A 75 1.535 7.316 -5.633 1.00 0.00 C ATOM 1119 C VAL A 75 1.758 8.060 -4.321 1.00 0.00 C ATOM 1120 O VAL A 75 1.670 9.286 -4.269 1.00 0.00 O ATOM 1121 CB VAL A 75 2.623 7.736 -6.640 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.991 7.260 -6.177 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.302 7.198 -8.026 1.00 0.00 C ATOM 0 H VAL A 75 0.011 8.543 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 75 1.609 6.243 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 75 2.643 8.824 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.747 7.566 -6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.220 7.699 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.989 6.173 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.081 7.504 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.253 6.110 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.342 7.594 -8.357 1.00 0.00 H new ATOM 1133 N MET A 76 2.046 7.310 -3.263 1.00 0.00 N ATOM 1134 CA MET A 76 2.283 7.899 -1.950 1.00 0.00 C ATOM 1135 C MET A 76 3.249 7.044 -1.137 1.00 0.00 C ATOM 1136 O MET A 76 3.609 5.939 -1.543 1.00 0.00 O ATOM 1137 CB MET A 76 0.963 8.058 -1.194 1.00 0.00 C ATOM 1138 CG MET A 76 0.428 6.755 -0.623 1.00 0.00 C ATOM 1139 SD MET A 76 -1.344 6.815 -0.297 1.00 0.00 S ATOM 1140 CE MET A 76 -1.859 5.222 -0.933 1.00 0.00 C ATOM 0 H MET A 76 2.121 6.293 -3.289 1.00 0.00 H new ATOM 0 HA MET A 76 2.731 8.882 -2.095 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.103 8.771 -0.381 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.218 8.483 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.638 5.944 -1.320 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.956 6.524 0.302 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.935 5.109 -0.803 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.613 5.156 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.343 4.430 -0.391 1.00 0.00 H new ATOM 1150 N LYS A 77 3.666 7.561 0.014 1.00 0.00 N ATOM 1151 CA LYS A 77 4.589 6.845 0.886 1.00 0.00 C ATOM 1152 C LYS A 77 3.831 6.003 1.907 1.00 0.00 C ATOM 1153 O LYS A 77 2.685 6.302 2.244 1.00 0.00 O ATOM 1154 CB LYS A 77 5.511 7.832 1.606 1.00 0.00 C ATOM 1155 CG LYS A 77 6.635 8.362 0.733 1.00 0.00 C ATOM 1156 CD LYS A 77 7.696 9.071 1.559 1.00 0.00 C ATOM 1157 CE LYS A 77 7.390 10.553 1.705 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.547 11.306 2.265 1.00 0.00 N ATOM 0 H LYS A 77 3.379 8.475 0.365 1.00 0.00 H new ATOM 0 HA LYS A 77 5.191 6.179 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.918 8.671 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.941 7.343 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.090 7.538 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.228 9.051 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.757 8.612 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.671 8.944 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.124 10.966 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.524 10.683 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.298 12.312 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.785 10.929 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.367 11.204 1.633 1.00 0.00 H new ATOM 1172 N TRP A 78 4.478 4.952 2.397 1.00 0.00 N ATOM 1173 CA TRP A 78 3.864 4.068 3.382 1.00 0.00 C ATOM 1174 C TRP A 78 4.887 3.615 4.419 1.00 0.00 C ATOM 1175 O TRP A 78 6.021 3.278 4.079 1.00 0.00 O ATOM 1176 CB TRP A 78 3.247 2.851 2.691 1.00 0.00 C ATOM 1177 CG TRP A 78 2.169 2.194 3.497 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.821 2.344 3.340 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.348 1.283 4.587 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.151 1.582 4.267 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.066 0.921 5.043 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.467 0.737 5.221 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.874 0.040 6.104 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.276 -0.137 6.274 1.00 0.00 C ATOM 1185 CH2 TRP A 78 1.988 -0.480 6.707 1.00 0.00 C ATOM 0 H TRP A 78 5.427 4.691 2.129 1.00 0.00 H new ATOM 0 HA TRP A 78 3.078 4.624 3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.836 3.158 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.031 2.123 2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.350 2.970 2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.863 1.519 4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.464 0.994 4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.118 -0.224 6.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.134 -0.563 6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.872 -1.167 7.532 1.00 0.00 H new ATOM 1196 N ARG A 79 4.478 3.610 5.683 1.00 0.00 N ATOM 1197 CA ARG A 79 5.360 3.199 6.769 1.00 0.00 C ATOM 1198 C ARG A 79 4.564 2.935 8.045 1.00 0.00 C ATOM 1199 O ARG A 79 3.378 3.253 8.126 1.00 0.00 O ATOM 1200 CB ARG A 79 6.418 4.273 7.029 1.00 0.00 C ATOM 1201 CG ARG A 79 5.859 5.543 7.649 1.00 0.00 C ATOM 1202 CD ARG A 79 6.894 6.243 8.515 1.00 0.00 C ATOM 1203 NE ARG A 79 7.071 5.579 9.803 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.587 6.174 10.872 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.975 7.440 10.808 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.716 5.502 12.010 1.00 0.00 N ATOM 0 H ARG A 79 3.542 3.886 5.981 1.00 0.00 H new ATOM 0 HA ARG A 79 5.855 2.275 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.184 3.864 7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.908 4.524 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.526 6.218 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.983 5.300 8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.848 6.271 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.590 7.277 8.679 1.00 0.00 H new ATOM 0 HE ARG A 79 6.782 4.604 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.878 7.960 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.371 7.894 11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.419 4.528 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.113 5.960 12.831 1.00 0.00 H new ATOM 1220 N PHE A 80 5.226 2.351 9.038 1.00 0.00 N ATOM 1221 CA PHE A 80 4.581 2.042 10.309 1.00 0.00 C ATOM 1222 C PHE A 80 5.021 3.021 11.394 1.00 0.00 C ATOM 1223 O PHE A 80 6.013 3.734 11.239 1.00 0.00 O ATOM 1224 CB PHE A 80 4.908 0.609 10.736 1.00 0.00 C ATOM 1225 CG PHE A 80 3.856 -0.388 10.342 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.512 -0.109 10.533 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.211 -1.604 9.781 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.542 -1.025 10.172 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.245 -2.523 9.417 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.909 -2.234 9.614 1.00 0.00 C ATOM 0 H PHE A 80 6.209 2.082 8.987 1.00 0.00 H new ATOM 0 HA PHE A 80 3.504 2.137 10.174 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.860 0.315 10.294 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.037 0.581 11.818 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.219 0.835 10.969 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.254 -1.836 9.626 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.498 -0.796 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.535 -3.467 8.979 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.153 -2.952 9.332 1.00 0.00 H new ATOM 1240 N LYS A 81 4.275 3.050 12.493 1.00 0.00 N ATOM 1241 CA LYS A 81 4.586 3.940 13.606 1.00 0.00 C ATOM 1242 C LYS A 81 5.767 3.410 14.413 1.00 0.00 C ATOM 1243 O LYS A 81 6.215 4.047 15.366 1.00 0.00 O ATOM 1244 CB LYS A 81 3.364 4.100 14.514 1.00 0.00 C ATOM 1245 CG LYS A 81 3.687 4.717 15.864 1.00 0.00 C ATOM 1246 CD LYS A 81 4.044 3.656 16.891 1.00 0.00 C ATOM 1247 CE LYS A 81 2.804 3.110 17.582 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.146 2.352 18.817 1.00 0.00 N ATOM 0 H LYS A 81 3.450 2.467 12.637 1.00 0.00 H new ATOM 0 HA LYS A 81 4.857 4.913 13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.624 4.720 14.008 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.907 3.123 14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.517 5.415 15.757 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.831 5.292 16.216 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.579 2.841 16.403 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.719 4.080 17.634 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.137 3.934 17.835 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.262 2.460 16.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.274 1.996 19.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.762 1.551 18.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.641 2.979 19.483 1.00 0.00 H new ATOM 1262 N SER A 82 6.267 2.242 14.023 1.00 0.00 N ATOM 1263 CA SER A 82 7.395 1.625 14.712 1.00 0.00 C ATOM 1264 C SER A 82 8.608 1.531 13.792 1.00 0.00 C ATOM 1265 O SER A 82 9.729 1.304 14.246 1.00 0.00 O ATOM 1266 CB SER A 82 7.012 0.232 15.216 1.00 0.00 C ATOM 1267 OG SER A 82 8.007 -0.288 16.081 1.00 0.00 O ATOM 0 H SER A 82 5.909 1.704 13.234 1.00 0.00 H new ATOM 0 HA SER A 82 7.656 2.252 15.564 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.058 0.281 15.741 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.875 -0.440 14.369 1.00 0.00 H new ATOM 0 HG SER A 82 8.894 -0.059 15.734 1.00 0.00 H new ATOM 1273 N TRP A 83 8.374 1.706 12.496 1.00 0.00 N ATOM 1274 CA TRP A 83 9.447 1.641 11.511 1.00 0.00 C ATOM 1275 C TRP A 83 10.577 2.600 11.871 1.00 0.00 C ATOM 1276 O TRP A 83 10.392 3.562 12.617 1.00 0.00 O ATOM 1277 CB TRP A 83 8.909 1.968 10.117 1.00 0.00 C ATOM 1278 CG TRP A 83 8.399 0.767 9.380 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.116 -0.460 9.909 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.113 0.678 7.980 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.672 -1.306 8.922 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.660 -0.632 7.729 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.194 1.578 6.914 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.292 -1.061 6.457 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.829 1.151 5.652 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.381 -0.159 5.432 1.00 0.00 C ATOM 0 H TRP A 83 7.451 1.894 12.103 1.00 0.00 H new ATOM 0 HA TRP A 83 9.844 0.626 11.511 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.105 2.698 10.208 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.700 2.436 9.531 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.225 -0.726 10.950 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.396 -2.279 9.056 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.536 2.590 7.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.948 -2.070 6.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.890 1.838 4.821 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.101 -0.462 4.434 1.00 0.00 H new ATOM 1333 N HIS A 87 11.850 6.505 7.578 1.00 0.00 N ATOM 1334 CA HIS A 87 11.872 5.355 6.681 1.00 0.00 C ATOM 1335 C HIS A 87 10.491 5.106 6.082 1.00 0.00 C ATOM 1336 O HIS A 87 9.604 4.566 6.744 1.00 0.00 O ATOM 1337 CB HIS A 87 12.349 4.108 7.427 1.00 0.00 C ATOM 1338 CG HIS A 87 12.870 3.032 6.525 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.215 2.800 6.329 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.217 2.122 5.764 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.367 1.795 5.485 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.170 1.365 5.128 1.00 0.00 N ATOM 0 HA HIS A 87 12.567 5.572 5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.132 4.393 8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.523 3.709 8.015 1.00 0.00 H new ATOM 0 HD1 HIS A 87 14.974 3.322 6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.146 2.012 5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.310 1.393 5.145 1.00 0.00 H new ATOM 1351 N PHE A 88 10.316 5.504 4.826 1.00 0.00 N ATOM 1352 CA PHE A 88 9.042 5.326 4.139 1.00 0.00 C ATOM 1353 C PHE A 88 9.217 4.483 2.879 1.00 0.00 C ATOM 1354 O PHE A 88 10.333 4.292 2.397 1.00 0.00 O ATOM 1355 CB PHE A 88 8.440 6.685 3.776 1.00 0.00 C ATOM 1356 CG PHE A 88 7.999 7.483 4.970 1.00 0.00 C ATOM 1357 CD1 PHE A 88 8.932 8.057 5.820 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.652 7.660 5.243 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.530 8.792 6.919 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.244 8.394 6.341 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.184 8.960 7.180 1.00 0.00 C ATOM 0 H PHE A 88 11.040 5.952 4.264 1.00 0.00 H new ATOM 0 HA PHE A 88 8.364 4.804 4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.176 7.261 3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.586 6.531 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.986 7.928 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.913 7.220 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.267 9.234 7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.191 8.525 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.867 9.533 8.039 1.00 0.00 H new ATOM 1371 N ALA A 89 8.106 3.980 2.352 1.00 0.00 N ATOM 1372 CA ALA A 89 8.135 3.158 1.149 1.00 0.00 C ATOM 1373 C ALA A 89 7.271 3.765 0.048 1.00 0.00 C ATOM 1374 O ALA A 89 6.133 4.169 0.289 1.00 0.00 O ATOM 1375 CB ALA A 89 7.674 1.743 1.464 1.00 0.00 C ATOM 0 H ALA A 89 7.174 4.127 2.740 1.00 0.00 H new ATOM 0 HA ALA A 89 9.163 3.121 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.701 1.141 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.335 1.303 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.655 1.770 1.851 1.00 0.00 H new ATOM 1381 N THR A 90 7.819 3.828 -1.161 1.00 0.00 N ATOM 1382 CA THR A 90 7.099 4.387 -2.298 1.00 0.00 C ATOM 1383 C THR A 90 6.068 3.402 -2.835 1.00 0.00 C ATOM 1384 O THR A 90 6.420 2.361 -3.391 1.00 0.00 O ATOM 1385 CB THR A 90 8.062 4.776 -3.436 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.148 5.551 -2.916 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.335 5.570 -4.512 1.00 0.00 C ATOM 0 H THR A 90 8.760 3.499 -1.378 1.00 0.00 H new ATOM 0 HA THR A 90 6.590 5.282 -1.940 1.00 0.00 H new ATOM 0 HB THR A 90 8.451 3.861 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.756 5.793 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.035 5.834 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.528 4.966 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.921 6.479 -4.076 1.00 0.00 H new ATOM 1395 N ILE A 91 4.793 3.736 -2.665 1.00 0.00 N ATOM 1396 CA ILE A 91 3.710 2.880 -3.135 1.00 0.00 C ATOM 1397 C ILE A 91 2.963 3.526 -4.297 1.00 0.00 C ATOM 1398 O ILE A 91 2.633 4.712 -4.255 1.00 0.00 O ATOM 1399 CB ILE A 91 2.710 2.567 -2.006 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.234 1.426 -1.133 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.349 2.214 -2.588 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.466 1.792 -0.335 1.00 0.00 C ATOM 0 H ILE A 91 4.485 4.593 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 91 4.167 1.950 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 91 2.598 3.454 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.447 1.113 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.463 0.570 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.653 1.995 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.974 3.054 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.444 1.339 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.782 0.935 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.269 2.077 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.237 2.628 0.325 1.00 0.00 H new ATOM 1414 N THR A 92 2.697 2.738 -5.334 1.00 0.00 N ATOM 1415 CA THR A 92 1.988 3.232 -6.507 1.00 0.00 C ATOM 1416 C THR A 92 0.812 2.328 -6.860 1.00 0.00 C ATOM 1417 O THR A 92 0.990 1.266 -7.458 1.00 0.00 O ATOM 1418 CB THR A 92 2.924 3.337 -7.726 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.995 4.245 -7.445 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.161 3.809 -8.955 1.00 0.00 C ATOM 0 H THR A 92 2.962 1.754 -5.385 1.00 0.00 H new ATOM 0 HA THR A 92 1.616 4.226 -6.257 1.00 0.00 H new ATOM 0 HB THR A 92 3.332 2.347 -7.929 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.586 4.305 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.843 3.876 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.365 3.100 -9.184 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.728 4.790 -8.760 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.389 2.755 -6.487 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.596 1.984 -6.766 1.00 0.00 C ATOM 1430 C LEU A 93 -2.166 2.341 -8.135 1.00 0.00 C ATOM 1431 O LEU A 93 -1.888 3.411 -8.677 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.646 2.235 -5.682 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.450 1.477 -4.369 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.318 2.075 -3.272 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.763 -0.001 -4.554 1.00 0.00 C ATOM 0 H LEU A 93 -0.553 3.631 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.330 0.927 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.665 3.303 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.625 1.975 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.406 1.572 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.165 1.522 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.045 3.119 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.367 2.012 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.618 -0.525 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.797 -0.116 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.098 -0.422 -5.308 1.00 0.00 H new ATOM 1447 N THR A 94 -2.969 1.438 -8.689 1.00 0.00 N ATOM 1448 CA THR A 94 -3.580 1.657 -9.994 1.00 0.00 C ATOM 1449 C THR A 94 -4.967 1.030 -10.064 1.00 0.00 C ATOM 1450 O THR A 94 -5.155 -0.129 -9.693 1.00 0.00 O ATOM 1451 CB THR A 94 -2.710 1.078 -11.126 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.323 1.280 -10.831 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.050 1.730 -12.458 1.00 0.00 C ATOM 0 H THR A 94 -3.211 0.548 -8.254 1.00 0.00 H new ATOM 0 HA THR A 94 -3.665 2.736 -10.126 1.00 0.00 H new ATOM 0 HB THR A 94 -2.914 0.010 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.777 0.908 -11.555 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.423 1.305 -13.242 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.099 1.549 -12.694 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.872 2.803 -12.393 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.937 1.802 -10.542 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.309 1.322 -10.660 1.00 0.00 C ATOM 1463 C PHE A 95 -7.650 1.003 -12.113 1.00 0.00 C ATOM 1464 O PHE A 95 -7.509 1.851 -12.995 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.286 2.364 -10.112 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.952 2.825 -8.722 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.854 3.638 -8.492 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.737 2.446 -7.645 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.544 4.063 -7.214 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.433 2.868 -6.364 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.335 3.678 -6.149 1.00 0.00 C ATOM 0 H PHE A 95 -5.798 2.763 -10.854 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.399 0.407 -10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.298 3.226 -10.779 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.292 1.945 -10.115 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.233 3.943 -9.321 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.597 1.813 -7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.684 4.695 -7.048 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.053 2.565 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.095 4.010 -5.150 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.100 -0.224 -12.353 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.462 -0.654 -13.698 1.00 0.00 C ATOM 1483 C ILE A 96 -9.950 -0.979 -13.789 1.00 0.00 C ATOM 1484 O ILE A 96 -10.577 -1.347 -12.796 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.651 -1.889 -14.131 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.152 -1.612 -14.005 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -8.004 -2.281 -15.558 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.302 -2.863 -14.018 1.00 0.00 C ATOM 0 H ILE A 96 -8.223 -0.937 -11.634 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.232 0.175 -14.368 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.904 -2.720 -13.473 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.841 -0.963 -14.824 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.968 -1.067 -13.079 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.422 -3.156 -15.850 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.067 -2.515 -15.619 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.776 -1.453 -16.230 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.251 -2.590 -13.925 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.586 -3.504 -13.183 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.456 -3.398 -14.955 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.507 -0.843 -14.987 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.920 -1.125 -15.210 1.00 0.00 C ATOM 1502 C ASP A 97 -12.106 -2.493 -15.858 1.00 0.00 C ATOM 1503 O ASP A 97 -11.442 -2.822 -16.841 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.546 -0.041 -16.089 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.837 -0.498 -16.741 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.781 -0.850 -16.003 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.902 -0.504 -17.988 1.00 0.00 O ATOM 0 H ASP A 97 -10.001 -0.539 -15.819 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.421 -1.131 -14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.741 0.845 -15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.835 0.251 -16.862 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.012 -3.288 -15.300 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.287 -4.622 -15.822 1.00 0.00 C ATOM 1514 C LYS A 98 -14.770 -4.789 -16.134 1.00 0.00 C ATOM 1515 O LYS A 98 -15.248 -5.903 -16.344 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.842 -5.687 -14.818 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.423 -5.493 -14.313 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.415 -6.211 -15.195 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.179 -6.621 -14.408 1.00 0.00 C ATOM 1520 NZ LYS A 98 -9.510 -7.573 -13.312 1.00 0.00 N ATOM 0 H LYS A 98 -13.569 -3.032 -14.485 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.724 -4.746 -16.747 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.525 -5.681 -13.968 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.922 -6.669 -15.284 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.189 -4.429 -14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.345 -5.866 -13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.878 -7.095 -15.634 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.123 -5.561 -16.020 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.455 -7.080 -15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.705 -5.734 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.651 -8.084 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.889 -7.048 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.222 -8.254 -13.647 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.493 -3.675 -16.165 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.923 -3.699 -16.452 1.00 0.00 C ATOM 1536 C ASN A 99 -17.709 -4.230 -15.258 1.00 0.00 C ATOM 1537 O ASN A 99 -18.557 -5.110 -15.401 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.202 -4.561 -17.685 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.399 -4.069 -18.476 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.259 -3.586 -19.599 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.585 -4.191 -17.890 1.00 0.00 N ATOM 0 H ASN A 99 -15.113 -2.744 -15.995 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.246 -2.677 -16.651 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.322 -4.566 -18.328 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.375 -5.591 -17.373 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.427 -3.878 -18.373 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.653 -4.598 -16.957 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.422 -3.688 -14.078 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.111 -4.119 -12.876 1.00 0.00 C ATOM 1550 C GLY A 100 -17.185 -4.214 -11.680 1.00 0.00 C ATOM 1551 O GLY A 100 -17.597 -3.968 -10.547 1.00 0.00 O ATOM 0 H GLY A 100 -16.724 -2.958 -13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.917 -3.420 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.571 -5.091 -13.053 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.930 -4.574 -11.931 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.944 -4.703 -10.865 1.00 0.00 C ATOM 1557 C GLU A 101 -13.742 -3.800 -11.123 1.00 0.00 C ATOM 1558 O GLU A 101 -13.595 -3.235 -12.207 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.486 -6.157 -10.737 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.626 -7.161 -10.780 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.138 -8.596 -10.828 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.034 -8.829 -11.363 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.860 -9.485 -10.331 1.00 0.00 O ATOM 0 H GLU A 101 -15.572 -4.781 -12.863 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.414 -4.394 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.786 -6.381 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.943 -6.277 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.258 -7.025 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.247 -6.963 -11.654 1.00 0.00 H new ATOM 1570 N THR A 102 -12.882 -3.667 -10.117 1.00 0.00 N ATOM 1571 CA THR A 102 -11.693 -2.832 -10.233 1.00 0.00 C ATOM 1572 C THR A 102 -10.454 -3.567 -9.735 1.00 0.00 C ATOM 1573 O THR A 102 -10.403 -4.008 -8.587 1.00 0.00 O ATOM 1574 CB THR A 102 -11.849 -1.519 -9.443 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.951 -0.765 -9.960 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.578 -0.687 -9.520 1.00 0.00 C ATOM 0 H THR A 102 -12.987 -4.127 -9.213 1.00 0.00 H new ATOM 0 HA THR A 102 -11.573 -2.599 -11.291 1.00 0.00 H new ATOM 0 HB THR A 102 -12.038 -1.769 -8.399 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.733 -0.892 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.712 0.235 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.747 -1.253 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.363 -0.446 -10.561 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.457 -3.695 -10.605 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.218 -4.377 -10.252 1.00 0.00 C ATOM 1586 C GLU A 103 -7.190 -3.390 -9.706 1.00 0.00 C ATOM 1587 O GLU A 103 -6.554 -2.656 -10.463 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.645 -5.105 -11.470 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.379 -5.889 -11.170 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.144 -5.010 -11.130 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -4.874 -4.415 -10.065 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.448 -4.916 -12.163 1.00 0.00 O ATOM 0 H GLU A 103 -9.483 -3.335 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.444 -5.107 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.399 -5.786 -11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.434 -4.376 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.489 -6.398 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.246 -6.661 -11.928 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.033 -3.378 -8.387 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.082 -2.482 -7.738 1.00 0.00 C ATOM 1601 C LEU A 104 -4.684 -3.091 -7.718 1.00 0.00 C ATOM 1602 O LEU A 104 -4.380 -3.946 -6.885 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.536 -2.173 -6.310 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.666 -1.190 -5.527 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -6.002 0.243 -5.909 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.840 -1.399 -4.029 1.00 0.00 C ATOM 0 H LEU A 104 -7.552 -3.978 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.046 -1.555 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.551 -1.777 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.582 -3.109 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.623 -1.377 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.372 0.928 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.825 0.386 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.050 0.443 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.213 -0.691 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.884 -1.240 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.548 -2.416 -3.767 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.838 -2.645 -8.640 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.470 -3.146 -8.728 1.00 0.00 C ATOM 1620 C CYS A 105 -1.542 -2.355 -7.812 1.00 0.00 C ATOM 1621 O CYS A 105 -1.077 -1.272 -8.168 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.969 -3.070 -10.171 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.658 -4.252 -10.560 1.00 0.00 S ATOM 0 H CYS A 105 -4.074 -1.938 -9.337 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.469 -4.187 -8.405 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.808 -3.240 -10.845 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.604 -2.062 -10.365 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.303 -4.112 -11.803 1.00 0.00 H new ATOM 1629 N MET A 106 -1.277 -2.902 -6.630 1.00 0.00 N ATOM 1630 CA MET A 106 -0.405 -2.247 -5.663 1.00 0.00 C ATOM 1631 C MET A 106 1.061 -2.551 -5.960 1.00 0.00 C ATOM 1632 O MET A 106 1.446 -3.711 -6.102 1.00 0.00 O ATOM 1633 CB MET A 106 -0.753 -2.696 -4.243 1.00 0.00 C ATOM 1634 CG MET A 106 -0.043 -1.899 -3.161 1.00 0.00 C ATOM 1635 SD MET A 106 1.711 -2.298 -3.042 1.00 0.00 S ATOM 1636 CE MET A 106 1.904 -2.450 -1.268 1.00 0.00 C ATOM 0 H MET A 106 -1.654 -3.797 -6.319 1.00 0.00 H new ATOM 0 HA MET A 106 -0.559 -1.171 -5.743 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.830 -2.611 -4.098 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.499 -3.750 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.156 -0.834 -3.366 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.521 -2.091 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.872 -2.899 -1.044 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.848 -1.463 -0.810 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.110 -3.081 -0.868 1.00 0.00 H new ATOM 1646 N GLU A 107 1.871 -1.502 -6.051 1.00 0.00 N ATOM 1647 CA GLU A 107 3.294 -1.658 -6.332 1.00 0.00 C ATOM 1648 C GLU A 107 4.131 -0.777 -5.410 1.00 0.00 C ATOM 1649 O GLU A 107 4.273 0.423 -5.641 1.00 0.00 O ATOM 1650 CB GLU A 107 3.589 -1.312 -7.793 1.00 0.00 C ATOM 1651 CG GLU A 107 4.845 -1.974 -8.334 1.00 0.00 C ATOM 1652 CD GLU A 107 5.513 -1.157 -9.422 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.997 -1.150 -10.560 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.551 -0.524 -9.137 1.00 0.00 O ATOM 0 H GLU A 107 1.567 -0.535 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 107 3.561 -2.699 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.739 -1.609 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.688 -0.231 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.550 -2.129 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.591 -2.958 -8.728 1.00 0.00 H new ATOM 1661 N GLY A 108 4.682 -1.382 -4.362 1.00 0.00 N ATOM 1662 CA GLY A 108 5.498 -0.638 -3.420 1.00 0.00 C ATOM 1663 C GLY A 108 6.957 -1.044 -3.470 1.00 0.00 C ATOM 1664 O GLY A 108 7.276 -2.210 -3.701 1.00 0.00 O ATOM 0 H GLY A 108 4.578 -2.374 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.413 0.428 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.115 -0.793 -2.411 1.00 0.00 H new ATOM 1668 N ARG A 109 7.846 -0.079 -3.253 1.00 0.00 N ATOM 1669 CA ARG A 109 9.280 -0.342 -3.277 1.00 0.00 C ATOM 1670 C ARG A 109 9.996 0.452 -2.188 1.00 0.00 C ATOM 1671 O ARG A 109 10.024 1.681 -2.219 1.00 0.00 O ATOM 1672 CB ARG A 109 9.862 0.010 -4.647 1.00 0.00 C ATOM 1673 CG ARG A 109 9.705 1.476 -5.016 1.00 0.00 C ATOM 1674 CD ARG A 109 9.667 1.669 -6.524 1.00 0.00 C ATOM 1675 NE ARG A 109 11.005 1.818 -7.090 1.00 0.00 N ATOM 1676 CZ ARG A 109 11.248 2.403 -8.258 1.00 0.00 C ATOM 1677 NH1 ARG A 109 10.249 2.893 -8.978 1.00 0.00 N ATOM 1678 NH2 ARG A 109 12.494 2.500 -8.706 1.00 0.00 N ATOM 0 H ARG A 109 7.598 0.891 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 109 9.433 -1.405 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.921 -0.248 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.376 -0.602 -5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.788 1.867 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.531 2.049 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.171 0.816 -6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.072 2.551 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 109 11.796 1.453 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.291 2.822 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.438 3.342 -9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 109 13.265 2.125 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.680 2.949 -9.603 1.00 0.00 H new ATOM 1692 N GLY A 110 10.574 -0.261 -1.226 1.00 0.00 N ATOM 1693 CA GLY A 110 11.282 0.393 -0.141 1.00 0.00 C ATOM 1694 C GLY A 110 10.884 -0.145 1.219 1.00 0.00 C ATOM 1695 O GLY A 110 11.269 0.409 2.249 1.00 0.00 O ATOM 0 H GLY A 110 10.565 -1.280 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.355 0.262 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.085 1.464 -0.176 1.00 0.00 H new ATOM 1699 N ILE A 111 10.110 -1.225 1.223 1.00 0.00 N ATOM 1700 CA ILE A 111 9.659 -1.837 2.466 1.00 0.00 C ATOM 1701 C ILE A 111 10.796 -2.584 3.155 1.00 0.00 C ATOM 1702 O ILE A 111 11.435 -3.463 2.577 1.00 0.00 O ATOM 1703 CB ILE A 111 8.492 -2.812 2.223 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.208 -2.039 1.917 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.297 -3.716 3.432 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.996 -1.780 0.442 1.00 0.00 C ATOM 0 H ILE A 111 9.782 -1.694 0.379 1.00 0.00 H new ATOM 0 HA ILE A 111 9.316 -1.027 3.110 1.00 0.00 H new ATOM 0 HB ILE A 111 8.732 -3.436 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.356 -2.597 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.233 -1.086 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.469 -4.400 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.207 -4.289 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.075 -3.108 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.067 -1.228 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.829 -1.195 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.939 -2.730 -0.090 1.00 0.00 H new ATOM 1718 N PRO A 112 11.056 -2.228 4.422 1.00 0.00 N ATOM 1719 CA PRO A 112 12.115 -2.854 5.219 1.00 0.00 C ATOM 1720 C PRO A 112 12.074 -4.376 5.145 1.00 0.00 C ATOM 1721 O PRO A 112 11.033 -4.990 5.380 1.00 0.00 O ATOM 1722 CB PRO A 112 11.816 -2.379 6.643 1.00 0.00 C ATOM 1723 CG PRO A 112 11.085 -1.093 6.467 1.00 0.00 C ATOM 1724 CD PRO A 112 10.335 -1.188 5.175 1.00 0.00 C ATOM 0 HA PRO A 112 13.108 -2.580 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.212 -3.107 7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.734 -2.238 7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.401 -0.922 7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.780 -0.254 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.293 -1.463 5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.335 -0.237 4.642 1.00 0.00 H new ATOM 1732 N ALA A 113 13.212 -4.980 4.818 1.00 0.00 N ATOM 1733 CA ALA A 113 13.305 -6.431 4.716 1.00 0.00 C ATOM 1734 C ALA A 113 12.832 -7.103 6.000 1.00 0.00 C ATOM 1735 O ALA A 113 12.114 -8.103 5.977 1.00 0.00 O ATOM 1736 CB ALA A 113 14.733 -6.846 4.396 1.00 0.00 C ATOM 0 H ALA A 113 14.082 -4.487 4.619 1.00 0.00 H new ATOM 0 HA ALA A 113 12.653 -6.756 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.788 -7.932 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 113 15.037 -6.402 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.398 -6.501 5.188 1.00 0.00 H new ATOM 1742 N PRO A 114 13.241 -6.543 7.148 1.00 0.00 N ATOM 1743 CA PRO A 114 12.871 -7.073 8.463 1.00 0.00 C ATOM 1744 C PRO A 114 11.417 -6.780 8.817 1.00 0.00 C ATOM 1745 O PRO A 114 10.939 -7.163 9.885 1.00 0.00 O ATOM 1746 CB PRO A 114 13.812 -6.337 9.420 1.00 0.00 C ATOM 1747 CG PRO A 114 14.162 -5.074 8.711 1.00 0.00 C ATOM 1748 CD PRO A 114 14.098 -5.349 7.250 1.00 0.00 C ATOM 0 HA PRO A 114 12.961 -8.158 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.326 -6.134 10.374 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.701 -6.930 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.469 -4.277 8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.160 -4.739 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.675 -4.506 6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.089 -5.533 6.835 1.00 0.00 H new ATOM 1756 N GLU A 115 10.718 -6.100 7.914 1.00 0.00 N ATOM 1757 CA GLU A 115 9.317 -5.756 8.133 1.00 0.00 C ATOM 1758 C GLU A 115 8.452 -6.233 6.970 1.00 0.00 C ATOM 1759 O GLU A 115 7.226 -6.267 7.069 1.00 0.00 O ATOM 1760 CB GLU A 115 9.162 -4.245 8.313 1.00 0.00 C ATOM 1761 CG GLU A 115 10.113 -3.653 9.340 1.00 0.00 C ATOM 1762 CD GLU A 115 9.632 -3.854 10.764 1.00 0.00 C ATOM 1763 OE1 GLU A 115 9.195 -4.977 11.090 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.694 -2.887 11.552 1.00 0.00 O ATOM 0 H GLU A 115 11.098 -5.776 7.024 1.00 0.00 H new ATOM 0 HA GLU A 115 8.983 -6.258 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.326 -3.755 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.137 -4.027 8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.096 -4.109 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.232 -2.587 9.148 1.00 0.00 H new ATOM 1771 N GLU A 116 9.101 -6.598 5.868 1.00 0.00 N ATOM 1772 CA GLU A 116 8.391 -7.071 4.686 1.00 0.00 C ATOM 1773 C GLU A 116 7.138 -7.850 5.079 1.00 0.00 C ATOM 1774 O GLU A 116 6.022 -7.463 4.734 1.00 0.00 O ATOM 1775 CB GLU A 116 9.305 -7.952 3.833 1.00 0.00 C ATOM 1776 CG GLU A 116 8.644 -8.471 2.567 1.00 0.00 C ATOM 1777 CD GLU A 116 9.566 -9.350 1.745 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.795 -9.138 1.801 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.057 -10.250 1.044 1.00 0.00 O ATOM 0 H GLU A 116 10.116 -6.575 5.770 1.00 0.00 H new ATOM 0 HA GLU A 116 8.089 -6.201 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.194 -7.382 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.640 -8.799 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.751 -9.037 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.317 -7.627 1.960 1.00 0.00 H new ATOM 1786 N GLU A 117 7.333 -8.948 5.801 1.00 0.00 N ATOM 1787 CA GLU A 117 6.220 -9.781 6.240 1.00 0.00 C ATOM 1788 C GLU A 117 5.198 -8.958 7.018 1.00 0.00 C ATOM 1789 O GLU A 117 4.088 -8.717 6.543 1.00 0.00 O ATOM 1790 CB GLU A 117 6.728 -10.936 7.106 1.00 0.00 C ATOM 1791 CG GLU A 117 5.721 -12.062 7.271 1.00 0.00 C ATOM 1792 CD GLU A 117 6.320 -13.287 7.934 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.128 -13.118 8.872 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.981 -14.414 7.516 1.00 0.00 O ATOM 0 H GLU A 117 8.251 -9.282 6.094 1.00 0.00 H new ATOM 0 HA GLU A 117 5.733 -10.188 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.640 -11.337 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.994 -10.551 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.879 -11.707 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.327 -12.339 6.293 1.00 0.00 H new ATOM 1801 N ARG A 118 5.580 -8.530 8.217 1.00 0.00 N ATOM 1802 CA ARG A 118 4.697 -7.736 9.062 1.00 0.00 C ATOM 1803 C ARG A 118 3.883 -6.753 8.226 1.00 0.00 C ATOM 1804 O ARG A 118 2.713 -6.497 8.513 1.00 0.00 O ATOM 1805 CB ARG A 118 5.510 -6.977 10.113 1.00 0.00 C ATOM 1806 CG ARG A 118 4.663 -6.094 11.016 1.00 0.00 C ATOM 1807 CD ARG A 118 5.502 -5.019 11.689 1.00 0.00 C ATOM 1808 NE ARG A 118 4.762 -4.325 12.739 1.00 0.00 N ATOM 1809 CZ ARG A 118 5.342 -3.613 13.699 1.00 0.00 C ATOM 1810 NH1 ARG A 118 6.662 -3.503 13.742 1.00 0.00 N ATOM 1811 NH2 ARG A 118 4.600 -3.010 14.620 1.00 0.00 N ATOM 0 H ARG A 118 6.495 -8.720 8.625 1.00 0.00 H new ATOM 0 HA ARG A 118 4.009 -8.415 9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.054 -7.694 10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.254 -6.360 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.871 -5.626 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.178 -6.707 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.397 -5.472 12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.834 -4.298 10.942 1.00 0.00 H new ATOM 0 HE ARG A 118 3.744 -4.390 12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 118 7.236 -3.966 13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 118 7.104 -2.956 14.480 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.584 -3.093 14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 118 5.046 -2.464 15.357 1.00 0.00 H new ATOM 1825 N THR A 119 4.509 -6.205 7.189 1.00 0.00 N ATOM 1826 CA THR A 119 3.844 -5.250 6.312 1.00 0.00 C ATOM 1827 C THR A 119 2.719 -5.915 5.527 1.00 0.00 C ATOM 1828 O THR A 119 1.541 -5.663 5.780 1.00 0.00 O ATOM 1829 CB THR A 119 4.836 -4.611 5.323 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.957 -4.071 6.032 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.163 -3.510 4.516 1.00 0.00 C ATOM 0 H THR A 119 5.476 -6.407 6.936 1.00 0.00 H new ATOM 0 HA THR A 119 3.427 -4.472 6.951 1.00 0.00 H new ATOM 0 HB THR A 119 5.179 -5.385 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.442 -4.796 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.884 -3.074 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.328 -3.929 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.794 -2.738 5.191 1.00 0.00 H new ATOM 1839 N ARG A 120 3.090 -6.765 4.575 1.00 0.00 N ATOM 1840 CA ARG A 120 2.111 -7.466 3.753 1.00 0.00 C ATOM 1841 C ARG A 120 1.094 -8.198 4.624 1.00 0.00 C ATOM 1842 O ARG A 120 -0.005 -8.521 4.173 1.00 0.00 O ATOM 1843 CB ARG A 120 2.811 -8.459 2.824 1.00 0.00 C ATOM 1844 CG ARG A 120 2.064 -8.708 1.524 1.00 0.00 C ATOM 1845 CD ARG A 120 2.767 -9.750 0.668 1.00 0.00 C ATOM 1846 NE ARG A 120 1.829 -10.492 -0.170 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.117 -11.656 -0.743 1.00 0.00 C ATOM 1848 NH1 ARG A 120 3.310 -12.207 -0.568 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.211 -12.270 -1.492 1.00 0.00 N ATOM 0 H ARG A 120 4.061 -6.985 4.354 1.00 0.00 H new ATOM 0 HA ARG A 120 1.583 -6.726 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.809 -8.087 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.937 -9.407 3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.050 -9.041 1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.980 -7.775 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.508 -9.260 0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.306 -10.445 1.312 1.00 0.00 H new ATOM 0 HE ARG A 120 0.902 -10.095 -0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.009 -11.737 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.529 -13.100 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.292 -11.849 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.433 -13.163 -1.931 1.00 0.00 H new ATOM 1863 N GLN A 121 1.469 -8.457 5.873 1.00 0.00 N ATOM 1864 CA GLN A 121 0.590 -9.152 6.806 1.00 0.00 C ATOM 1865 C GLN A 121 -0.520 -8.229 7.298 1.00 0.00 C ATOM 1866 O GLN A 121 -1.675 -8.636 7.409 1.00 0.00 O ATOM 1867 CB GLN A 121 1.392 -9.684 7.995 1.00 0.00 C ATOM 1868 CG GLN A 121 2.323 -10.831 7.636 1.00 0.00 C ATOM 1869 CD GLN A 121 1.590 -12.147 7.467 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.518 -12.352 8.037 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.166 -13.048 6.679 1.00 0.00 N ATOM 0 H GLN A 121 2.375 -8.196 6.262 1.00 0.00 H new ATOM 0 HA GLN A 121 0.134 -9.991 6.280 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.979 -8.870 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.701 -10.017 8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.849 -10.591 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.079 -10.938 8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.055 -12.836 6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.719 -13.952 6.526 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.160 -6.983 7.593 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.137 -6.022 8.070 1.00 0.00 C ATOM 1882 C GLY A 122 -1.414 -4.927 7.060 1.00 0.00 C ATOM 1883 O GLY A 122 -1.818 -3.823 7.427 1.00 0.00 O ATOM 0 H GLY A 122 0.791 -6.623 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.067 -6.540 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.779 -5.575 8.997 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.196 -5.231 5.786 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.424 -4.262 4.720 1.00 0.00 C ATOM 1889 C TRP A 123 -2.829 -4.405 4.145 1.00 0.00 C ATOM 1890 O TRP A 123 -3.666 -3.518 4.302 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.385 -4.439 3.611 1.00 0.00 C ATOM 1892 CG TRP A 123 0.026 -3.148 2.971 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.021 -2.308 3.383 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.550 -2.548 1.805 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.099 -1.223 2.543 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.146 -1.347 1.566 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.584 -2.910 0.937 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.161 -0.508 0.499 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.888 -2.076 -0.122 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.178 -0.887 -0.334 1.00 0.00 C ATOM 0 H TRP A 123 -0.862 -6.140 5.466 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.326 -3.263 5.144 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.497 -4.928 4.024 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.789 -5.103 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.654 -2.472 4.243 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.759 -0.451 2.632 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.136 -3.826 1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.384 0.410 0.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.686 -2.345 -0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.439 -0.257 -1.172 1.00 0.00 H new ATOM 1911 N GLN A 124 -3.079 -5.528 3.479 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.383 -5.786 2.880 1.00 0.00 C ATOM 1913 C GLN A 124 -5.445 -5.991 3.956 1.00 0.00 C ATOM 1914 O GLN A 124 -6.598 -5.594 3.786 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.317 -7.015 1.972 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.415 -6.830 0.762 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.656 -8.092 0.402 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.636 -8.508 -0.757 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -2.027 -8.709 1.395 1.00 0.00 N ATOM 0 H GLN A 124 -2.396 -6.273 3.341 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.659 -4.917 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.962 -7.867 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.323 -7.259 1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.017 -6.517 -0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.705 -6.028 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.070 -8.329 2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.500 -9.563 1.212 1.00 0.00 H new ATOM 1928 N ARG A 125 -5.048 -6.612 5.061 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.966 -6.870 6.164 1.00 0.00 C ATOM 1930 C ARG A 125 -6.813 -5.638 6.467 1.00 0.00 C ATOM 1931 O ARG A 125 -7.919 -5.747 6.997 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.190 -7.288 7.415 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.971 -8.788 7.522 1.00 0.00 C ATOM 1934 CD ARG A 125 -6.207 -9.496 8.054 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.974 -10.922 8.265 1.00 0.00 N ATOM 1936 CZ ARG A 125 -5.412 -11.420 9.361 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.027 -10.612 10.339 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -5.233 -12.730 9.479 1.00 0.00 N ATOM 0 H ARG A 125 -4.097 -6.946 5.217 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.630 -7.682 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.222 -6.787 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.728 -6.944 8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.714 -9.190 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.125 -8.987 8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.512 -9.036 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.031 -9.363 7.352 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.258 -11.571 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.162 -9.605 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.596 -10.998 11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.527 -13.355 8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.801 -13.112 10.321 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.287 -4.467 6.127 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.993 -3.213 6.364 1.00 0.00 C ATOM 1954 C TYR A 126 -7.270 -2.487 5.052 1.00 0.00 C ATOM 1955 O TYR A 126 -8.334 -1.895 4.869 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.179 -2.314 7.296 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.354 -3.078 8.307 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.830 -4.252 8.877 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.098 -2.626 8.692 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.080 -4.953 9.801 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.340 -3.321 9.615 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.836 -4.484 10.167 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.085 -5.179 11.086 1.00 0.00 O ATOM 0 H TYR A 126 -5.374 -4.360 5.686 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.947 -3.446 6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.517 -1.689 6.697 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.857 -1.644 7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.804 -4.623 8.593 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.707 -1.715 8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.466 -5.864 10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.365 -2.956 9.903 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.235 -4.714 11.232 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.304 -2.537 4.141 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.442 -1.882 2.845 1.00 0.00 C ATOM 1975 C TYR A 127 -7.626 -2.452 2.070 1.00 0.00 C ATOM 1976 O TYR A 127 -8.617 -1.761 1.832 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.158 -2.045 2.029 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.261 -0.829 2.063 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.970 -0.189 3.261 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.703 -0.320 0.896 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.151 0.923 3.296 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.882 0.791 0.922 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.609 1.409 2.124 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.792 2.516 2.155 1.00 0.00 O ATOM 0 H TYR A 127 -5.418 -3.024 4.276 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.622 -0.821 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.605 -2.905 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.421 -2.264 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.391 -0.567 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.915 -0.801 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.936 1.409 4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.456 1.173 0.006 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.261 2.508 2.979 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.515 -3.717 1.679 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.576 -4.381 0.930 1.00 0.00 C ATOM 1996 C PHE A 128 -9.518 -5.129 1.869 1.00 0.00 C ATOM 1997 O PHE A 128 -10.679 -4.753 2.027 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.978 -5.353 -0.090 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.733 -4.835 -0.752 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.470 -3.476 -0.797 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.825 -5.709 -1.329 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.325 -2.996 -1.405 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.678 -5.235 -1.939 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.429 -3.877 -1.978 1.00 0.00 C ATOM 0 H PHE A 128 -6.702 -4.303 1.868 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.147 -3.617 0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.750 -6.295 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.724 -5.569 -0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.168 -2.783 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -6.015 -6.772 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.131 -1.934 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.978 -5.926 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.535 -3.505 -2.456 1.00 0.00 H new ATOM 2014 N GLU A 129 -9.009 -6.189 2.488 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.806 -6.990 3.410 1.00 0.00 C ATOM 2016 C GLU A 129 -10.788 -6.114 4.183 1.00 0.00 C ATOM 2017 O GLU A 129 -11.911 -6.526 4.470 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.897 -7.741 4.385 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.962 -8.728 3.709 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.660 -10.014 3.309 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.433 -9.988 2.329 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.434 -11.044 3.977 1.00 0.00 O ATOM 0 H GLU A 129 -8.049 -6.513 2.368 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.374 -7.713 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.305 -7.018 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.515 -8.275 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.529 -8.264 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.137 -8.961 4.383 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.354 -4.903 4.518 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.205 -3.988 5.256 1.00 0.00 C ATOM 2031 C GLY A 130 -12.345 -3.450 4.414 1.00 0.00 C ATOM 2032 O GLY A 130 -13.505 -3.499 4.824 1.00 0.00 O ATOM 0 H GLY A 130 -9.428 -4.539 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.612 -4.499 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.605 -3.156 5.624 1.00 0.00 H new ATOM 2036 N ILE A 131 -12.016 -2.935 3.234 1.00 0.00 N ATOM 2037 CA ILE A 131 -13.021 -2.386 2.333 1.00 0.00 C ATOM 2038 C ILE A 131 -13.920 -3.486 1.777 1.00 0.00 C ATOM 2039 O ILE A 131 -15.143 -3.425 1.901 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.373 -1.627 1.161 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.380 -0.587 1.686 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.440 -0.963 0.304 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.451 -0.047 0.621 1.00 0.00 C ATOM 0 H ILE A 131 -11.061 -2.887 2.880 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.622 -1.689 2.918 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.830 -2.341 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.934 0.241 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.785 -1.034 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.965 -0.431 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -14.112 -1.723 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -14.008 -0.259 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.775 0.685 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.871 -0.866 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -11.037 0.430 -0.165 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.305 -4.491 1.164 1.00 0.00 N ATOM 2056 CA LYS A 132 -14.047 -5.607 0.590 1.00 0.00 C ATOM 2057 C LYS A 132 -15.271 -5.939 1.437 1.00 0.00 C ATOM 2058 O LYS A 132 -16.357 -6.175 0.908 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.146 -6.839 0.472 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.316 -6.866 -0.800 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.288 -7.984 -0.771 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.030 -8.540 -2.163 1.00 0.00 C ATOM 2063 NZ LYS A 132 -11.897 -9.713 -2.461 1.00 0.00 N ATOM 0 H LYS A 132 -12.293 -4.556 1.052 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.383 -5.314 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.478 -6.874 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.764 -7.736 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.972 -6.996 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.810 -5.909 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.355 -7.611 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.637 -8.784 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.207 -7.760 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.983 -8.831 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -11.305 -10.558 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -12.554 -9.869 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -12.438 -9.533 -3.331 1.00 0.00 H new ATOM 2077 N GLN A 133 -15.088 -5.953 2.754 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.179 -6.255 3.673 1.00 0.00 C ATOM 2079 C GLN A 133 -16.908 -4.982 4.090 1.00 0.00 C ATOM 2080 O GLN A 133 -18.134 -4.900 4.008 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.646 -6.980 4.910 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.927 -8.281 4.589 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.982 -9.275 5.732 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.008 -9.453 6.464 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -16.126 -9.930 5.892 1.00 0.00 N ATOM 0 H GLN A 133 -14.195 -5.759 3.208 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.886 -6.904 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.963 -6.319 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.476 -7.190 5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.373 -8.729 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.886 -8.067 4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.908 -9.752 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -16.222 -10.612 6.645 1.00 0.00 H new ATOM 2094 N THR A 134 -16.146 -3.990 4.538 1.00 0.00 N ATOM 2095 CA THR A 134 -16.718 -2.721 4.970 1.00 0.00 C ATOM 2096 C THR A 134 -17.677 -2.166 3.923 1.00 0.00 C ATOM 2097 O THR A 134 -18.875 -2.030 4.173 1.00 0.00 O ATOM 2098 CB THR A 134 -15.622 -1.676 5.251 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.811 -2.101 6.352 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.234 -0.318 5.559 1.00 0.00 C ATOM 0 H THR A 134 -15.130 -4.041 4.611 1.00 0.00 H new ATOM 0 HA THR A 134 -17.265 -2.919 5.892 1.00 0.00 H new ATOM 0 HB THR A 134 -15.003 -1.583 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.215 -2.822 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.440 0.403 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.826 0.016 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.875 -0.398 6.437 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.142 -1.846 2.749 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.951 -1.305 1.662 1.00 0.00 C ATOM 2110 C PHE A 135 -18.646 -2.424 0.892 1.00 0.00 C ATOM 2111 O PHE A 135 -19.644 -2.196 0.209 1.00 0.00 O ATOM 2112 CB PHE A 135 -17.081 -0.480 0.712 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.556 0.786 1.326 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.708 0.742 2.421 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.911 2.021 0.808 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.225 1.906 2.988 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.430 3.189 1.371 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.585 3.131 2.462 1.00 0.00 C ATOM 0 H PHE A 135 -16.152 -1.952 2.526 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.714 -0.660 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.240 -1.089 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.662 -0.230 -0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.421 -0.213 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.571 2.072 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.566 1.858 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.715 4.145 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.207 4.042 2.903 1.00 0.00 H new ATOM 2128 N GLY A 136 -18.110 -3.635 1.007 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.690 -4.772 0.316 1.00 0.00 C ATOM 2130 C GLY A 136 -18.127 -4.951 -1.080 1.00 0.00 C ATOM 2131 O GLY A 136 -18.828 -5.402 -1.986 1.00 0.00 O ATOM 0 H GLY A 136 -17.284 -3.849 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.509 -5.677 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.771 -4.643 0.255 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.860 -4.595 -1.255 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.204 -4.714 -2.552 1.00 0.00 C ATOM 2137 C TYR A 137 -15.422 -6.021 -2.649 1.00 0.00 C ATOM 2138 O TYR A 137 -14.423 -6.108 -3.361 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.268 -3.528 -2.785 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.961 -2.186 -2.716 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.340 -2.087 -2.855 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.238 -1.017 -2.514 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.979 -0.863 -2.794 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.868 0.211 -2.450 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.238 0.282 -2.591 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.869 1.504 -2.529 1.00 0.00 O ATOM 0 H TYR A 137 -16.266 -4.221 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.976 -4.715 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.471 -3.554 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.797 -3.634 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.923 -2.982 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.165 -1.069 -2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.052 -0.804 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.291 1.110 -2.291 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.700 1.470 -3.048 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.887 -7.036 -1.926 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.220 -8.325 -1.944 1.00 0.00 C ATOM 2158 C GLY A 138 -16.068 -9.407 -2.583 1.00 0.00 C ATOM 2159 O GLY A 138 -17.296 -9.340 -2.554 1.00 0.00 O ATOM 0 H GLY A 138 -16.713 -6.989 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.279 -8.236 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.972 -8.617 -0.923 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.411 -10.405 -3.164 1.00 0.00 N ATOM 2164 CA ALA A 139 -16.112 -11.506 -3.813 1.00 0.00 C ATOM 2165 C ALA A 139 -15.958 -12.799 -3.019 1.00 0.00 C ATOM 2166 O ALA A 139 -16.943 -13.378 -2.560 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.602 -11.693 -5.234 1.00 0.00 C ATOM 0 H ALA A 139 -14.394 -10.474 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 139 -17.173 -11.257 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -16.135 -12.519 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.770 -10.779 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.535 -11.915 -5.211 1.00 0.00 H new