USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 855 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 89 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.1) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 155:sc= -0.0329 (180deg=0) USER MOD Set 2.1: A 19 SER OG : rot -116:sc= -0.279 USER MOD Set 2.2: A 22 GLN : amide:sc= 0.871 K(o=0.59,f=-1.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -75:sc= -1.02 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 155:sc= -3.07! (180deg=-3.49!) USER MOD Single : A 25 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.31) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.587 K(o=-0.59,f=-0.032) USER MOD Single : A 44 ASN : amide:sc= -5.07! C(o=-5.1!,f=-6.5!) USER MOD Single : A 46 TYR OH : rot 165:sc= -0.566 USER MOD Single : A 47 SER OG : rot -160:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.1!) USER MOD Single : A 53 THR OG1 : rot 59:sc= 1.04 USER MOD Single : A 54 GLN : amide:sc= -2.34 K(o=-2.3,f=-6.1!) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 0.457 (180deg=-0.0225) USER MOD Single : A 62 ASN : amide:sc= 0.515 K(o=0.52,f=-5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.622 K(o=-0.62,f=0.61) USER MOD Single : A 81 ASN : amide:sc= -0.918 K(o=-0.92,f=-1.8!) USER MOD Single : A 82 GLN : amide:sc= -2.85! C(o=-2.9!,f=-11!) USER MOD Single : A 85 THR OG1 : rot -170:sc= 0 USER MOD Single : A 86 TYR OH : rot -127:sc= -2.57! USER MOD Single : A 93 SER OG : rot -106:sc= 0.181 USER MOD Single : A 94 ASN : amide:sc= -1.91! C(o=-1.9!,f=-5.7!) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00609 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 102 TYR OH : rot -31:sc= 1.2 USER MOD Single : A 110 LYS NZ :NH3+ -129:sc= -0.556 (180deg=-2.41!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 120:sc= -0.0235 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 128 GLN : amide:sc= -0.0883 K(o=-0.088,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -9.705 13.347 -5.269 1.00 0.00 N ATOM 67 CA VAL A 8 -8.596 12.402 -5.226 1.00 0.00 C ATOM 68 C VAL A 8 -8.513 11.593 -6.515 1.00 0.00 C ATOM 69 O VAL A 8 -9.427 10.839 -6.848 1.00 0.00 O ATOM 70 CB VAL A 8 -8.728 11.436 -4.033 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.740 10.287 -4.165 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.524 12.178 -2.721 1.00 0.00 C ATOM 0 HA VAL A 8 -7.685 12.988 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.735 11.020 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.848 9.615 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.939 9.740 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.724 10.682 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.621 11.480 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.530 12.624 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.275 12.962 -2.626 1.00 0.00 H new ATOM 82 N LYS A 9 -7.409 11.753 -7.238 1.00 0.00 N ATOM 83 CA LYS A 9 -7.204 11.037 -8.491 1.00 0.00 C ATOM 84 C LYS A 9 -6.833 9.580 -8.230 1.00 0.00 C ATOM 85 O LYS A 9 -5.991 9.286 -7.381 1.00 0.00 O ATOM 86 CB LYS A 9 -6.107 11.714 -9.316 1.00 0.00 C ATOM 87 CG LYS A 9 -6.445 13.137 -9.725 1.00 0.00 C ATOM 88 CD LYS A 9 -5.643 13.573 -10.939 1.00 0.00 C ATOM 89 CE LYS A 9 -6.340 13.187 -12.235 1.00 0.00 C ATOM 90 NZ LYS A 9 -5.960 14.088 -13.359 1.00 0.00 N ATOM 0 H LYS A 9 -6.642 12.373 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.138 11.061 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.182 11.721 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.920 11.122 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.510 13.210 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.245 13.813 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.496 14.653 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.654 13.116 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.086 12.159 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.420 13.222 -12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.456 13.792 -14.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.226 15.066 -13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.933 14.036 -13.514 1.00 0.00 H new ATOM 104 N PHE A 10 -7.464 8.672 -8.966 1.00 0.00 N ATOM 105 CA PHE A 10 -7.200 7.246 -8.815 1.00 0.00 C ATOM 106 C PHE A 10 -6.035 6.812 -9.700 1.00 0.00 C ATOM 107 O PHE A 10 -5.777 7.411 -10.745 1.00 0.00 O ATOM 108 CB PHE A 10 -8.449 6.434 -9.163 1.00 0.00 C ATOM 109 CG PHE A 10 -9.596 6.666 -8.221 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.681 5.968 -7.027 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.589 7.581 -8.530 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.735 6.178 -6.159 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.646 7.796 -7.665 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.719 7.094 -6.478 1.00 0.00 C ATOM 0 H PHE A 10 -8.163 8.898 -9.674 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.933 7.060 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.765 6.684 -10.176 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.196 5.374 -9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.914 5.251 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.537 8.133 -9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.790 5.627 -5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.414 8.512 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.543 7.261 -5.801 1.00 0.00 H new ATOM 124 N LEU A 11 -5.333 5.768 -9.273 1.00 0.00 N ATOM 125 CA LEU A 11 -4.194 5.253 -10.025 1.00 0.00 C ATOM 126 C LEU A 11 -3.198 6.366 -10.336 1.00 0.00 C ATOM 127 O LEU A 11 -2.615 6.408 -11.420 1.00 0.00 O ATOM 128 CB LEU A 11 -4.669 4.601 -11.325 1.00 0.00 C ATOM 129 CG LEU A 11 -5.557 3.365 -11.170 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.188 2.992 -12.502 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.755 2.198 -10.612 1.00 0.00 C ATOM 0 H LEU A 11 -5.532 5.262 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.694 4.504 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.215 5.346 -11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.792 4.323 -11.910 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.355 3.600 -10.466 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.816 2.111 -12.373 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.796 3.822 -12.861 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.404 2.776 -13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.403 1.328 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.936 1.962 -11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.351 2.468 -9.636 1.00 0.00 H new ATOM 143 N THR A 12 -3.005 7.265 -9.376 1.00 0.00 N ATOM 144 CA THR A 12 -2.079 8.378 -9.546 1.00 0.00 C ATOM 145 C THR A 12 -1.380 8.716 -8.234 1.00 0.00 C ATOM 146 O THR A 12 -2.012 8.780 -7.180 1.00 0.00 O ATOM 147 CB THR A 12 -2.801 9.634 -10.068 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.112 9.719 -9.499 1.00 0.00 O ATOM 149 CG2 THR A 12 -2.903 9.608 -11.586 1.00 0.00 C ATOM 0 H THR A 12 -3.478 7.244 -8.472 1.00 0.00 H new ATOM 0 HA THR A 12 -1.337 8.063 -10.280 1.00 0.00 H new ATOM 0 HB THR A 12 -2.220 10.508 -9.773 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.701 9.069 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.417 10.505 -11.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.903 9.574 -12.017 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.463 8.726 -11.898 1.00 0.00 H new ATOM 157 N VAL A 13 -0.070 8.933 -8.306 1.00 0.00 N ATOM 158 CA VAL A 13 0.716 9.267 -7.124 1.00 0.00 C ATOM 159 C VAL A 13 0.372 10.661 -6.612 1.00 0.00 C ATOM 160 O VAL A 13 0.645 11.661 -7.274 1.00 0.00 O ATOM 161 CB VAL A 13 2.226 9.197 -7.417 1.00 0.00 C ATOM 162 CG1 VAL A 13 3.025 9.705 -6.226 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.634 7.776 -7.775 1.00 0.00 C ATOM 0 H VAL A 13 0.469 8.883 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 13 0.468 8.531 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 13 2.443 9.839 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.090 9.648 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.753 10.740 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.806 9.091 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.704 7.745 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.404 7.111 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.087 7.452 -8.660 1.00 0.00 H new ATOM 173 N ASN A 14 -0.229 10.718 -5.428 1.00 0.00 N ATOM 174 CA ASN A 14 -0.610 11.990 -4.825 1.00 0.00 C ATOM 175 C ASN A 14 0.525 12.552 -3.975 1.00 0.00 C ATOM 176 O ASN A 14 0.904 11.966 -2.961 1.00 0.00 O ATOM 177 CB ASN A 14 -1.866 11.817 -3.968 1.00 0.00 C ATOM 178 CG ASN A 14 -2.980 11.108 -4.713 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.418 11.557 -5.772 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.446 9.994 -4.160 1.00 0.00 N ATOM 0 H ASN A 14 -0.463 9.899 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.821 12.695 -5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.615 11.251 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.217 12.796 -3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.197 9.474 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.053 9.658 -3.281 1.00 0.00 H new ATOM 187 N ASP A 15 1.064 13.691 -4.396 1.00 0.00 N ATOM 188 CA ASP A 15 2.155 14.334 -3.673 1.00 0.00 C ATOM 189 C ASP A 15 1.972 14.183 -2.166 1.00 0.00 C ATOM 190 O ASP A 15 2.887 13.760 -1.459 1.00 0.00 O ATOM 191 CB ASP A 15 2.238 15.815 -4.043 1.00 0.00 C ATOM 192 CG ASP A 15 2.616 16.029 -5.496 1.00 0.00 C ATOM 193 OD1 ASP A 15 3.600 15.410 -5.951 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.925 16.814 -6.179 1.00 0.00 O ATOM 0 H ASP A 15 0.763 14.188 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 15 3.086 13.844 -3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.277 16.290 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.972 16.306 -3.404 1.00 0.00 H new ATOM 199 N ASP A 16 0.786 14.533 -1.682 1.00 0.00 N ATOM 200 CA ASP A 16 0.482 14.436 -0.259 1.00 0.00 C ATOM 201 C ASP A 16 1.139 13.203 0.355 1.00 0.00 C ATOM 202 O ASP A 16 0.661 12.082 0.179 1.00 0.00 O ATOM 203 CB ASP A 16 -1.031 14.386 -0.040 1.00 0.00 C ATOM 204 CG ASP A 16 -1.681 15.748 -0.177 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.241 16.688 0.518 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.632 15.875 -0.977 1.00 0.00 O ATOM 0 H ASP A 16 0.019 14.887 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 16 0.883 15.322 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.477 13.700 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.238 13.986 0.952 1.00 0.00 H new ATOM 211 N ILE A 17 2.236 13.419 1.073 1.00 0.00 N ATOM 212 CA ILE A 17 2.957 12.325 1.712 1.00 0.00 C ATOM 213 C ILE A 17 2.321 11.952 3.046 1.00 0.00 C ATOM 214 O ILE A 17 2.075 12.814 3.892 1.00 0.00 O ATOM 215 CB ILE A 17 4.436 12.686 1.944 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.548 13.904 2.863 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.131 12.951 0.617 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.971 14.373 3.074 1.00 0.00 C ATOM 0 H ILE A 17 2.645 14.341 1.227 1.00 0.00 H new ATOM 0 HA ILE A 17 2.901 11.472 1.035 1.00 0.00 H new ATOM 0 HB ILE A 17 4.929 11.843 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.963 14.722 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.107 13.661 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.176 13.205 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.077 12.059 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.639 13.780 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.974 15.239 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.556 13.571 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.410 14.647 2.115 1.00 0.00 H new ATOM 230 N LEU A 18 2.057 10.663 3.230 1.00 0.00 N ATOM 231 CA LEU A 18 1.451 10.175 4.464 1.00 0.00 C ATOM 232 C LEU A 18 1.894 8.745 4.760 1.00 0.00 C ATOM 233 O LEU A 18 2.019 7.923 3.852 1.00 0.00 O ATOM 234 CB LEU A 18 -0.075 10.237 4.365 1.00 0.00 C ATOM 235 CG LEU A 18 -0.692 11.636 4.391 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.175 11.571 4.062 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.472 12.291 5.746 1.00 0.00 C ATOM 0 H LEU A 18 2.253 9.937 2.541 1.00 0.00 H new ATOM 0 HA LEU A 18 1.783 10.816 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.380 9.744 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.496 9.660 5.188 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.199 12.244 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.597 12.576 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.309 11.144 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.684 10.947 4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.918 13.286 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.938 11.685 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.597 12.373 5.941 1.00 0.00 H new ATOM 249 N SER A 19 2.129 8.456 6.036 1.00 0.00 N ATOM 250 CA SER A 19 2.559 7.127 6.451 1.00 0.00 C ATOM 251 C SER A 19 1.551 6.068 6.015 1.00 0.00 C ATOM 252 O SER A 19 0.439 6.389 5.597 1.00 0.00 O ATOM 253 CB SER A 19 2.743 7.078 7.970 1.00 0.00 C ATOM 254 OG SER A 19 1.501 7.220 8.638 1.00 0.00 O ATOM 0 H SER A 19 2.029 9.125 6.800 1.00 0.00 H new ATOM 0 HA SER A 19 3.513 6.915 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.206 6.133 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.421 7.872 8.283 1.00 0.00 H new ATOM 0 HG SER A 19 1.506 8.045 9.167 1.00 0.00 H new ATOM 260 N MET A 20 1.949 4.804 6.117 1.00 0.00 N ATOM 261 CA MET A 20 1.081 3.697 5.734 1.00 0.00 C ATOM 262 C MET A 20 -0.263 3.787 6.451 1.00 0.00 C ATOM 263 O MET A 20 -1.327 3.721 5.836 1.00 0.00 O ATOM 264 CB MET A 20 1.753 2.360 6.052 1.00 0.00 C ATOM 265 CG MET A 20 1.427 1.262 5.052 1.00 0.00 C ATOM 266 SD MET A 20 -0.017 0.293 5.530 1.00 0.00 S ATOM 267 CE MET A 20 -0.470 -0.437 3.959 1.00 0.00 C ATOM 0 H MET A 20 2.866 4.521 6.461 1.00 0.00 H new ATOM 0 HA MET A 20 0.905 3.761 4.660 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.833 2.504 6.082 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.447 2.037 7.047 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.253 1.708 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.287 0.600 4.952 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.020 -1.362 4.133 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.097 0.259 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.431 -0.653 3.385 1.00 0.00 H new ATOM 277 N PRO A 21 -0.215 3.941 7.782 1.00 0.00 N ATOM 278 CA PRO A 21 -1.420 4.043 8.611 1.00 0.00 C ATOM 279 C PRO A 21 -2.167 5.354 8.388 1.00 0.00 C ATOM 280 O PRO A 21 -3.239 5.570 8.952 1.00 0.00 O ATOM 281 CB PRO A 21 -0.874 3.975 10.040 1.00 0.00 C ATOM 282 CG PRO A 21 0.528 4.465 9.934 1.00 0.00 C ATOM 283 CD PRO A 21 1.019 4.027 8.581 1.00 0.00 C ATOM 0 HA PRO A 21 -2.143 3.261 8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.460 4.596 10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.909 2.957 10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.571 5.550 10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.148 4.048 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.723 4.744 8.158 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.533 3.067 8.631 1.00 0.00 H new ATOM 291 N GLN A 22 -1.593 6.224 7.563 1.00 0.00 N ATOM 292 CA GLN A 22 -2.206 7.513 7.267 1.00 0.00 C ATOM 293 C GLN A 22 -2.756 7.540 5.844 1.00 0.00 C ATOM 294 O GLN A 22 -3.748 8.213 5.565 1.00 0.00 O ATOM 295 CB GLN A 22 -1.189 8.640 7.455 1.00 0.00 C ATOM 296 CG GLN A 22 -0.884 8.947 8.912 1.00 0.00 C ATOM 297 CD GLN A 22 0.176 10.020 9.073 1.00 0.00 C ATOM 298 OE1 GLN A 22 1.373 9.738 9.020 1.00 0.00 O ATOM 299 NE2 GLN A 22 -0.260 11.258 9.270 1.00 0.00 N ATOM 0 H GLN A 22 -0.705 6.060 7.088 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.034 7.661 7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.263 8.371 6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.566 9.542 6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.799 9.267 9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.552 8.036 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.262 11.446 9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.407 12.021 9.385 1.00 0.00 H new ATOM 308 N ALA A 23 -2.104 6.806 4.949 1.00 0.00 N ATOM 309 CA ALA A 23 -2.529 6.745 3.556 1.00 0.00 C ATOM 310 C ALA A 23 -3.726 5.815 3.387 1.00 0.00 C ATOM 311 O ALA A 23 -4.763 6.213 2.858 1.00 0.00 O ATOM 312 CB ALA A 23 -1.377 6.290 2.672 1.00 0.00 C ATOM 0 H ALA A 23 -1.279 6.245 5.164 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.834 7.746 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.709 6.249 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.550 6.994 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.046 5.300 2.986 1.00 0.00 H new ATOM 318 N ARG A 24 -3.574 4.574 3.840 1.00 0.00 N ATOM 319 CA ARG A 24 -4.642 3.588 3.737 1.00 0.00 C ATOM 320 C ARG A 24 -5.954 4.147 4.280 1.00 0.00 C ATOM 321 O ARG A 24 -7.027 3.865 3.750 1.00 0.00 O ATOM 322 CB ARG A 24 -4.265 2.315 4.498 1.00 0.00 C ATOM 323 CG ARG A 24 -4.136 2.519 5.999 1.00 0.00 C ATOM 324 CD ARG A 24 -3.426 1.348 6.661 1.00 0.00 C ATOM 325 NE ARG A 24 -3.822 1.186 8.057 1.00 0.00 N ATOM 326 CZ ARG A 24 -3.498 0.130 8.795 1.00 0.00 C ATOM 327 NH1 ARG A 24 -2.777 -0.852 8.272 1.00 0.00 N ATOM 328 NH2 ARG A 24 -3.896 0.055 10.059 1.00 0.00 N ATOM 0 H ARG A 24 -2.722 4.229 4.281 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.778 3.347 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.019 1.551 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.320 1.935 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.585 3.439 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.127 2.640 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.648 0.433 6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.348 1.499 6.605 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.378 1.924 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.470 -0.798 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.530 -1.662 8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.451 0.809 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.647 -0.756 10.625 1.00 0.00 H new ATOM 342 N ASN A 25 -5.858 4.943 5.341 1.00 0.00 N ATOM 343 CA ASN A 25 -7.037 5.542 5.956 1.00 0.00 C ATOM 344 C ASN A 25 -7.566 6.695 5.109 1.00 0.00 C ATOM 345 O ASN A 25 -8.760 6.993 5.124 1.00 0.00 O ATOM 346 CB ASN A 25 -6.706 6.038 7.365 1.00 0.00 C ATOM 347 CG ASN A 25 -7.588 7.195 7.792 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.805 7.052 7.911 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.976 8.351 8.025 1.00 0.00 N ATOM 0 H ASN A 25 -4.976 5.188 5.792 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.811 4.777 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.821 5.217 8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.662 6.348 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.517 9.165 8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.965 8.424 7.914 1.00 0.00 H new ATOM 356 N PHE A 26 -6.668 7.341 4.372 1.00 0.00 N ATOM 357 CA PHE A 26 -7.044 8.462 3.519 1.00 0.00 C ATOM 358 C PHE A 26 -7.887 7.989 2.338 1.00 0.00 C ATOM 359 O PHE A 26 -9.037 8.398 2.179 1.00 0.00 O ATOM 360 CB PHE A 26 -5.794 9.185 3.011 1.00 0.00 C ATOM 361 CG PHE A 26 -6.100 10.391 2.170 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.411 10.254 0.826 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.076 11.661 2.722 1.00 0.00 C ATOM 364 CE1 PHE A 26 -6.692 11.362 0.050 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.356 12.774 1.950 1.00 0.00 C ATOM 366 CZ PHE A 26 -6.666 12.623 0.613 1.00 0.00 C ATOM 0 H PHE A 26 -5.675 7.107 4.349 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.640 9.154 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.189 9.491 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.193 8.488 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.434 9.270 0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.836 11.784 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.932 11.242 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.332 13.759 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.888 13.490 0.008 1.00 0.00 H new ATOM 376 N CYS A 27 -7.305 7.125 1.513 1.00 0.00 N ATOM 377 CA CYS A 27 -8.000 6.596 0.345 1.00 0.00 C ATOM 378 C CYS A 27 -9.434 6.209 0.696 1.00 0.00 C ATOM 379 O CYS A 27 -10.371 6.532 -0.034 1.00 0.00 O ATOM 380 CB CYS A 27 -7.254 5.382 -0.212 1.00 0.00 C ATOM 381 SG CYS A 27 -5.734 5.800 -1.126 1.00 0.00 S ATOM 0 H CYS A 27 -6.354 6.776 1.632 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.028 7.376 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.998 4.716 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.922 4.830 -0.872 1.00 0.00 H new ATOM 386 N ALA A 28 -9.596 5.514 1.817 1.00 0.00 N ATOM 387 CA ALA A 28 -10.915 5.084 2.265 1.00 0.00 C ATOM 388 C ALA A 28 -11.855 6.274 2.425 1.00 0.00 C ATOM 389 O ALA A 28 -12.957 6.285 1.877 1.00 0.00 O ATOM 390 CB ALA A 28 -10.803 4.317 3.575 1.00 0.00 C ATOM 0 H ALA A 28 -8.831 5.237 2.431 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.333 4.424 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.795 4.002 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.173 3.440 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.361 4.960 4.336 1.00 0.00 H new ATOM 396 N SER A 29 -11.413 7.274 3.181 1.00 0.00 N ATOM 397 CA SER A 29 -12.217 8.468 3.417 1.00 0.00 C ATOM 398 C SER A 29 -12.672 9.085 2.098 1.00 0.00 C ATOM 399 O SER A 29 -13.818 9.514 1.964 1.00 0.00 O ATOM 400 CB SER A 29 -11.421 9.494 4.225 1.00 0.00 C ATOM 401 OG SER A 29 -12.257 10.542 4.684 1.00 0.00 O ATOM 0 H SER A 29 -10.502 7.281 3.641 1.00 0.00 H new ATOM 0 HA SER A 29 -13.100 8.175 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.947 9.003 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.622 9.906 3.609 1.00 0.00 H new ATOM 0 HG SER A 29 -11.724 11.184 5.199 1.00 0.00 H new ATOM 407 N ALA A 30 -11.766 9.127 1.127 1.00 0.00 N ATOM 408 CA ALA A 30 -12.073 9.690 -0.182 1.00 0.00 C ATOM 409 C ALA A 30 -13.045 8.799 -0.948 1.00 0.00 C ATOM 410 O ALA A 30 -13.910 9.287 -1.674 1.00 0.00 O ATOM 411 CB ALA A 30 -10.796 9.893 -0.983 1.00 0.00 C ATOM 0 H ALA A 30 -10.812 8.778 1.222 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.550 10.658 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.041 10.314 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.136 10.576 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.295 8.935 -1.117 1.00 0.00 H new ATOM 417 N GLY A 31 -12.895 7.488 -0.782 1.00 0.00 N ATOM 418 CA GLY A 31 -13.766 6.550 -1.465 1.00 0.00 C ATOM 419 C GLY A 31 -12.993 5.494 -2.231 1.00 0.00 C ATOM 420 O GLY A 31 -13.387 5.099 -3.327 1.00 0.00 O ATOM 0 H GLY A 31 -12.186 7.059 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.415 6.064 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.412 7.094 -2.154 1.00 0.00 H new ATOM 424 N GLY A 32 -11.887 5.036 -1.652 1.00 0.00 N ATOM 425 CA GLY A 32 -11.073 4.026 -2.302 1.00 0.00 C ATOM 426 C GLY A 32 -10.116 3.347 -1.343 1.00 0.00 C ATOM 427 O GLY A 32 -10.344 3.332 -0.134 1.00 0.00 O ATOM 0 H GLY A 32 -11.540 5.347 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.722 3.276 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.506 4.486 -3.111 1.00 0.00 H new ATOM 431 N TYR A 33 -9.041 2.782 -1.883 1.00 0.00 N ATOM 432 CA TYR A 33 -8.047 2.095 -1.067 1.00 0.00 C ATOM 433 C TYR A 33 -6.733 1.940 -1.825 1.00 0.00 C ATOM 434 O TYR A 33 -6.688 2.074 -3.049 1.00 0.00 O ATOM 435 CB TYR A 33 -8.569 0.721 -0.641 1.00 0.00 C ATOM 436 CG TYR A 33 -9.109 -0.103 -1.787 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.298 -0.458 -2.857 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.432 -0.529 -1.799 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.788 -1.211 -3.907 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.930 -1.283 -2.843 1.00 0.00 C ATOM 441 CZ TYR A 33 -10.105 -1.621 -3.895 1.00 0.00 C ATOM 442 OH TYR A 33 -10.596 -2.372 -4.938 1.00 0.00 O ATOM 0 H TYR A 33 -8.836 2.786 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.863 2.698 -0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.763 0.170 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.356 0.855 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.266 -0.140 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.082 -0.266 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.144 -1.477 -4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.960 -1.606 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.540 -2.580 -4.776 1.00 0.00 H new ATOM 452 N LEU A 34 -5.664 1.655 -1.090 1.00 0.00 N ATOM 453 CA LEU A 34 -4.346 1.479 -1.691 1.00 0.00 C ATOM 454 C LEU A 34 -4.411 0.521 -2.876 1.00 0.00 C ATOM 455 O LEU A 34 -5.097 -0.500 -2.825 1.00 0.00 O ATOM 456 CB LEU A 34 -3.355 0.956 -0.651 1.00 0.00 C ATOM 457 CG LEU A 34 -2.789 1.994 0.319 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.066 1.311 1.469 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.854 2.950 -0.408 1.00 0.00 C ATOM 0 H LEU A 34 -5.684 1.541 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.006 2.450 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.847 0.176 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.523 0.486 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.619 2.570 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.670 2.065 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.763 0.668 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.246 0.709 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.461 3.682 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.029 2.389 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.402 3.465 -1.197 1.00 0.00 H new ATOM 471 N ALA A 35 -3.691 0.856 -3.942 1.00 0.00 N ATOM 472 CA ALA A 35 -3.664 0.023 -5.138 1.00 0.00 C ATOM 473 C ALA A 35 -2.685 -1.136 -4.978 1.00 0.00 C ATOM 474 O ALA A 35 -1.489 -0.927 -4.772 1.00 0.00 O ATOM 475 CB ALA A 35 -3.300 0.859 -6.355 1.00 0.00 C ATOM 0 H ALA A 35 -3.119 1.698 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.660 -0.395 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.284 0.224 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.039 1.649 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.316 1.304 -6.209 1.00 0.00 H new ATOM 481 N ASP A 36 -3.200 -2.357 -5.073 1.00 0.00 N ATOM 482 CA ASP A 36 -2.371 -3.549 -4.939 1.00 0.00 C ATOM 483 C ASP A 36 -1.587 -3.812 -6.220 1.00 0.00 C ATOM 484 O ASP A 36 -2.046 -3.494 -7.317 1.00 0.00 O ATOM 485 CB ASP A 36 -3.237 -4.762 -4.597 1.00 0.00 C ATOM 486 CG ASP A 36 -4.324 -4.434 -3.593 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.983 -4.097 -2.440 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.515 -4.515 -3.959 1.00 0.00 O ATOM 0 H ASP A 36 -4.188 -2.547 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.661 -3.380 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.693 -5.147 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.605 -5.555 -4.197 1.00 0.00 H new ATOM 493 N ASP A 37 -0.401 -4.393 -6.073 1.00 0.00 N ATOM 494 CA ASP A 37 0.447 -4.699 -7.219 1.00 0.00 C ATOM 495 C ASP A 37 0.459 -6.198 -7.502 1.00 0.00 C ATOM 496 O ASP A 37 1.349 -6.920 -7.049 1.00 0.00 O ATOM 497 CB ASP A 37 1.873 -4.204 -6.972 1.00 0.00 C ATOM 498 CG ASP A 37 2.037 -2.731 -7.291 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.122 -1.946 -6.963 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.081 -2.362 -7.868 1.00 0.00 O ATOM 0 H ASP A 37 -0.005 -4.661 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 37 0.037 -4.186 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.140 -4.379 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.567 -4.784 -7.581 1.00 0.00 H new ATOM 505 N LEU A 38 -0.535 -6.661 -8.252 1.00 0.00 N ATOM 506 CA LEU A 38 -0.641 -8.075 -8.594 1.00 0.00 C ATOM 507 C LEU A 38 -0.652 -8.270 -10.107 1.00 0.00 C ATOM 508 O LEU A 38 -1.687 -8.120 -10.755 1.00 0.00 O ATOM 509 CB LEU A 38 -1.908 -8.675 -7.982 1.00 0.00 C ATOM 510 CG LEU A 38 -2.262 -8.200 -6.573 1.00 0.00 C ATOM 511 CD1 LEU A 38 -3.771 -8.157 -6.388 1.00 0.00 C ATOM 512 CD2 LEU A 38 -1.621 -9.101 -5.529 1.00 0.00 C ATOM 0 H LEU A 38 -1.279 -6.078 -8.635 1.00 0.00 H new ATOM 0 HA LEU A 38 0.230 -8.588 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.747 -8.451 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.799 -9.759 -7.962 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.871 -7.191 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.004 -7.817 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.207 -7.470 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.185 -9.154 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.884 -8.747 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.981 -10.122 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.538 -9.081 -5.647 1.00 0.00 H new ATOM 524 N GLY A 39 0.508 -8.606 -10.664 1.00 0.00 N ATOM 525 CA GLY A 39 0.609 -8.817 -12.097 1.00 0.00 C ATOM 526 C GLY A 39 1.702 -7.980 -12.731 1.00 0.00 C ATOM 527 O GLY A 39 1.869 -6.807 -12.394 1.00 0.00 O ATOM 0 H GLY A 39 1.379 -8.736 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.803 -9.871 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.346 -8.577 -12.565 1.00 0.00 H new ATOM 531 N ASP A 40 2.449 -8.582 -13.649 1.00 0.00 N ATOM 532 CA ASP A 40 3.532 -7.884 -14.332 1.00 0.00 C ATOM 533 C ASP A 40 3.029 -6.593 -14.971 1.00 0.00 C ATOM 534 O ASP A 40 3.698 -5.561 -14.916 1.00 0.00 O ATOM 535 CB ASP A 40 4.157 -8.786 -15.397 1.00 0.00 C ATOM 536 CG ASP A 40 5.281 -9.641 -14.845 1.00 0.00 C ATOM 537 OD1 ASP A 40 6.430 -9.156 -14.804 1.00 0.00 O ATOM 538 OD2 ASP A 40 5.010 -10.797 -14.456 1.00 0.00 O ATOM 0 H ASP A 40 2.325 -9.552 -13.938 1.00 0.00 H new ATOM 0 HA ASP A 40 4.291 -7.630 -13.592 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.387 -9.432 -15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.539 -8.171 -16.212 1.00 0.00 H new ATOM 543 N ASP A 41 1.849 -6.660 -15.577 1.00 0.00 N ATOM 544 CA ASP A 41 1.257 -5.497 -16.227 1.00 0.00 C ATOM 545 C ASP A 41 0.916 -4.417 -15.204 1.00 0.00 C ATOM 546 O ASP A 41 0.897 -3.228 -15.523 1.00 0.00 O ATOM 547 CB ASP A 41 -0.001 -5.902 -16.997 1.00 0.00 C ATOM 548 CG ASP A 41 -0.253 -5.016 -18.201 1.00 0.00 C ATOM 549 OD1 ASP A 41 -0.460 -3.800 -18.009 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.245 -5.539 -19.335 1.00 0.00 O ATOM 0 H ASP A 41 1.284 -7.507 -15.632 1.00 0.00 H new ATOM 0 HA ASP A 41 1.988 -5.092 -16.927 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.095 -6.937 -17.325 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.862 -5.857 -16.330 1.00 0.00 H new ATOM 555 N LYS A 42 0.648 -4.839 -13.973 1.00 0.00 N ATOM 556 CA LYS A 42 0.308 -3.910 -12.902 1.00 0.00 C ATOM 557 C LYS A 42 1.567 -3.338 -12.259 1.00 0.00 C ATOM 558 O LYS A 42 1.599 -2.173 -11.865 1.00 0.00 O ATOM 559 CB LYS A 42 -0.545 -4.611 -11.843 1.00 0.00 C ATOM 560 CG LYS A 42 -1.495 -3.677 -11.113 1.00 0.00 C ATOM 561 CD LYS A 42 -2.673 -3.283 -11.988 1.00 0.00 C ATOM 562 CE LYS A 42 -3.269 -1.952 -11.556 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.287 -1.460 -12.524 1.00 0.00 N ATOM 0 H LYS A 42 0.660 -5.820 -13.692 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.263 -3.089 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.122 -5.403 -12.319 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.112 -5.088 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.860 -4.162 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.958 -2.782 -10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.350 -3.218 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.438 -4.058 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.726 -2.061 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.474 -1.213 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.669 -0.551 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.846 -1.332 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.059 -2.153 -12.599 1.00 0.00 H new ATOM 577 N ASN A 43 2.603 -4.165 -12.157 1.00 0.00 N ATOM 578 CA ASN A 43 3.865 -3.740 -11.563 1.00 0.00 C ATOM 579 C ASN A 43 4.650 -2.855 -12.526 1.00 0.00 C ATOM 580 O ASN A 43 5.063 -1.751 -12.175 1.00 0.00 O ATOM 581 CB ASN A 43 4.704 -4.958 -11.172 1.00 0.00 C ATOM 582 CG ASN A 43 6.175 -4.622 -11.019 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.629 -4.253 -9.935 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.927 -4.747 -12.106 1.00 0.00 N ATOM 0 H ASN A 43 2.593 -5.133 -12.478 1.00 0.00 H new ATOM 0 HA ASN A 43 3.639 -3.160 -10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.329 -5.369 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.588 -5.734 -11.929 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.924 -4.534 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.508 -5.056 -12.983 1.00 0.00 H new ATOM 591 N ASN A 44 4.851 -3.349 -13.744 1.00 0.00 N ATOM 592 CA ASN A 44 5.586 -2.604 -14.759 1.00 0.00 C ATOM 593 C ASN A 44 4.847 -1.323 -15.136 1.00 0.00 C ATOM 594 O ASN A 44 5.465 -0.318 -15.487 1.00 0.00 O ATOM 595 CB ASN A 44 5.797 -3.469 -16.003 1.00 0.00 C ATOM 596 CG ASN A 44 4.689 -3.295 -17.023 1.00 0.00 C ATOM 597 OD1 ASN A 44 4.409 -2.182 -17.469 1.00 0.00 O ATOM 598 ND2 ASN A 44 4.051 -4.398 -17.398 1.00 0.00 N ATOM 0 H ASN A 44 4.515 -4.262 -14.051 1.00 0.00 H new ATOM 0 HA ASN A 44 6.557 -2.333 -14.344 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.752 -3.214 -16.462 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.854 -4.517 -15.708 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.296 -4.343 -18.082 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.316 -5.300 -17.002 1.00 0.00 H new ATOM 605 N PHE A 45 3.521 -1.367 -15.059 1.00 0.00 N ATOM 606 CA PHE A 45 2.697 -0.211 -15.392 1.00 0.00 C ATOM 607 C PHE A 45 3.003 0.960 -14.464 1.00 0.00 C ATOM 608 O PHE A 45 3.265 2.075 -14.918 1.00 0.00 O ATOM 609 CB PHE A 45 1.213 -0.573 -15.303 1.00 0.00 C ATOM 610 CG PHE A 45 0.320 0.613 -15.075 1.00 0.00 C ATOM 611 CD1 PHE A 45 0.046 1.054 -13.791 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.246 1.286 -16.146 1.00 0.00 C ATOM 613 CE1 PHE A 45 -0.777 2.144 -13.579 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.069 2.378 -15.940 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.334 2.808 -14.655 1.00 0.00 C ATOM 0 H PHE A 45 2.994 -2.191 -14.769 1.00 0.00 H new ATOM 0 HA PHE A 45 2.930 0.088 -16.414 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.913 -1.072 -16.224 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.069 -1.287 -14.492 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.480 0.540 -12.946 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.042 0.954 -17.153 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.985 2.477 -12.573 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.504 2.894 -16.783 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.975 3.661 -14.491 1.00 0.00 H new ATOM 625 N TYR A 46 2.969 0.700 -13.162 1.00 0.00 N ATOM 626 CA TYR A 46 3.240 1.733 -12.169 1.00 0.00 C ATOM 627 C TYR A 46 4.666 2.257 -12.302 1.00 0.00 C ATOM 628 O TYR A 46 4.908 3.461 -12.218 1.00 0.00 O ATOM 629 CB TYR A 46 3.015 1.185 -10.759 1.00 0.00 C ATOM 630 CG TYR A 46 1.556 1.042 -10.389 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.684 2.119 -10.491 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.049 -0.171 -9.940 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.649 1.993 -10.154 1.00 0.00 C ATOM 634 CE2 TYR A 46 -0.284 -0.307 -9.602 1.00 0.00 C ATOM 635 CZ TYR A 46 -1.129 0.778 -9.710 1.00 0.00 C ATOM 636 OH TYR A 46 -2.457 0.648 -9.375 1.00 0.00 O ATOM 0 H TYR A 46 2.756 -0.217 -12.769 1.00 0.00 H new ATOM 0 HA TYR A 46 2.552 2.560 -12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.499 0.212 -10.675 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.500 1.845 -10.040 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.055 3.071 -10.840 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.708 -1.022 -9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.313 2.841 -10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.662 -1.257 -9.255 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.688 -0.303 -9.315 1.00 0.00 H new ATOM 646 N SER A 47 5.608 1.342 -12.512 1.00 0.00 N ATOM 647 CA SER A 47 7.012 1.710 -12.654 1.00 0.00 C ATOM 648 C SER A 47 7.160 2.975 -13.493 1.00 0.00 C ATOM 649 O SER A 47 8.035 3.803 -13.239 1.00 0.00 O ATOM 650 CB SER A 47 7.798 0.564 -13.295 1.00 0.00 C ATOM 651 OG SER A 47 9.188 0.841 -13.302 1.00 0.00 O ATOM 0 H SER A 47 5.424 0.342 -12.587 1.00 0.00 H new ATOM 0 HA SER A 47 7.414 1.906 -11.660 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.611 -0.360 -12.748 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.450 0.406 -14.316 1.00 0.00 H new ATOM 0 HG SER A 47 9.630 0.280 -13.973 1.00 0.00 H new ATOM 657 N SER A 48 6.298 3.118 -14.495 1.00 0.00 N ATOM 658 CA SER A 48 6.333 4.280 -15.374 1.00 0.00 C ATOM 659 C SER A 48 5.999 5.555 -14.605 1.00 0.00 C ATOM 660 O SER A 48 6.851 6.424 -14.423 1.00 0.00 O ATOM 661 CB SER A 48 5.353 4.099 -16.534 1.00 0.00 C ATOM 662 OG SER A 48 5.783 3.071 -17.410 1.00 0.00 O ATOM 0 H SER A 48 5.567 2.443 -14.718 1.00 0.00 H new ATOM 0 HA SER A 48 7.343 4.372 -15.773 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.364 3.859 -16.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.260 5.035 -17.085 1.00 0.00 H new ATOM 0 HG SER A 48 5.139 2.974 -18.142 1.00 0.00 H new ATOM 668 N ILE A 49 4.752 5.657 -14.157 1.00 0.00 N ATOM 669 CA ILE A 49 4.305 6.824 -13.406 1.00 0.00 C ATOM 670 C ILE A 49 5.113 6.997 -12.125 1.00 0.00 C ATOM 671 O ILE A 49 5.152 8.082 -11.546 1.00 0.00 O ATOM 672 CB ILE A 49 2.810 6.723 -13.047 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.556 5.496 -12.169 1.00 0.00 C ATOM 674 CG2 ILE A 49 1.965 6.660 -14.310 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.189 5.488 -11.522 1.00 0.00 C ATOM 0 H ILE A 49 4.034 4.947 -14.301 1.00 0.00 H new ATOM 0 HA ILE A 49 4.459 7.691 -14.049 1.00 0.00 H new ATOM 0 HB ILE A 49 2.525 7.613 -12.487 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.668 4.597 -12.775 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.318 5.453 -11.391 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.911 6.589 -14.040 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.128 7.561 -14.902 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.249 5.785 -14.895 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.079 4.589 -10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.081 6.369 -10.889 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.421 5.500 -12.295 1.00 0.00 H new ATOM 687 N ALA A 50 5.759 5.920 -11.689 1.00 0.00 N ATOM 688 CA ALA A 50 6.570 5.954 -10.479 1.00 0.00 C ATOM 689 C ALA A 50 7.990 6.421 -10.782 1.00 0.00 C ATOM 690 O ALA A 50 8.923 6.130 -10.035 1.00 0.00 O ATOM 691 CB ALA A 50 6.594 4.582 -9.821 1.00 0.00 C ATOM 0 H ALA A 50 5.736 5.014 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 50 6.119 6.668 -9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.204 4.622 -8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.578 4.286 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.018 3.854 -10.513 1.00 0.00 H new ATOM 697 N ALA A 51 8.146 7.148 -11.884 1.00 0.00 N ATOM 698 CA ALA A 51 9.451 7.657 -12.285 1.00 0.00 C ATOM 699 C ALA A 51 10.198 8.250 -11.096 1.00 0.00 C ATOM 700 O ALA A 51 9.844 9.319 -10.599 1.00 0.00 O ATOM 701 CB ALA A 51 9.297 8.696 -13.386 1.00 0.00 C ATOM 0 H ALA A 51 7.384 7.397 -12.515 1.00 0.00 H new ATOM 0 HA ALA A 51 10.037 6.822 -12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.280 9.068 -13.676 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.812 8.242 -14.250 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.689 9.524 -13.022 1.00 0.00 H new ATOM 707 N ASN A 52 11.233 7.550 -10.643 1.00 0.00 N ATOM 708 CA ASN A 52 12.029 8.008 -9.510 1.00 0.00 C ATOM 709 C ASN A 52 11.132 8.481 -8.370 1.00 0.00 C ATOM 710 O ASN A 52 11.436 9.463 -7.692 1.00 0.00 O ATOM 711 CB ASN A 52 12.964 9.139 -9.941 1.00 0.00 C ATOM 712 CG ASN A 52 12.211 10.328 -10.508 1.00 0.00 C ATOM 713 OD1 ASN A 52 12.137 10.508 -11.723 1.00 0.00 O ATOM 714 ND2 ASN A 52 11.647 11.145 -9.626 1.00 0.00 N ATOM 0 H ASN A 52 11.540 6.663 -11.043 1.00 0.00 H new ATOM 0 HA ASN A 52 12.626 7.168 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.557 9.462 -9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.662 8.764 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.126 11.961 -9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.734 10.956 -8.627 1.00 0.00 H new ATOM 721 N THR A 53 10.024 7.775 -8.165 1.00 0.00 N ATOM 722 CA THR A 53 9.082 8.122 -7.108 1.00 0.00 C ATOM 723 C THR A 53 8.753 6.910 -6.245 1.00 0.00 C ATOM 724 O THR A 53 8.433 5.839 -6.759 1.00 0.00 O ATOM 725 CB THR A 53 7.775 8.696 -7.687 1.00 0.00 C ATOM 726 OG1 THR A 53 8.059 9.839 -8.502 1.00 0.00 O ATOM 727 CG2 THR A 53 6.815 9.086 -6.574 1.00 0.00 C ATOM 0 H THR A 53 9.757 6.960 -8.717 1.00 0.00 H new ATOM 0 HA THR A 53 9.563 8.882 -6.493 1.00 0.00 H new ATOM 0 HB THR A 53 7.305 7.924 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.662 9.580 -9.230 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.900 9.489 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.577 8.207 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.280 9.842 -5.941 1.00 0.00 H new ATOM 735 N GLN A 54 8.833 7.087 -4.930 1.00 0.00 N ATOM 736 CA GLN A 54 8.543 6.006 -3.995 1.00 0.00 C ATOM 737 C GLN A 54 7.211 6.237 -3.291 1.00 0.00 C ATOM 738 O GLN A 54 7.033 7.234 -2.589 1.00 0.00 O ATOM 739 CB GLN A 54 9.665 5.882 -2.962 1.00 0.00 C ATOM 740 CG GLN A 54 11.058 5.909 -3.571 1.00 0.00 C ATOM 741 CD GLN A 54 12.141 6.150 -2.538 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.881 6.138 -1.334 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.365 6.372 -3.004 1.00 0.00 N ATOM 0 H GLN A 54 9.096 7.968 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 54 8.476 5.078 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.576 6.696 -2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.537 4.952 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.248 4.962 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.104 6.691 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.535 6.373 -4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.134 6.541 -2.356 1.00 0.00 H new ATOM 752 N PHE A 55 6.277 5.311 -3.482 1.00 0.00 N ATOM 753 CA PHE A 55 4.959 5.416 -2.866 1.00 0.00 C ATOM 754 C PHE A 55 4.565 4.101 -2.199 1.00 0.00 C ATOM 755 O PHE A 55 5.162 3.057 -2.461 1.00 0.00 O ATOM 756 CB PHE A 55 3.913 5.803 -3.913 1.00 0.00 C ATOM 757 CG PHE A 55 3.752 4.785 -5.005 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.751 4.595 -5.946 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.602 4.017 -5.090 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.605 3.660 -6.953 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.450 3.080 -6.095 1.00 0.00 C ATOM 762 CZ PHE A 55 3.453 2.900 -7.026 1.00 0.00 C ATOM 0 H PHE A 55 6.408 4.480 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 55 5.003 6.192 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.953 5.949 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.191 6.759 -4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.654 5.184 -5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.815 4.152 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.390 3.523 -7.682 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.547 2.490 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.338 2.166 -7.810 1.00 0.00 H new ATOM 772 N TRP A 56 3.558 4.162 -1.336 1.00 0.00 N ATOM 773 CA TRP A 56 3.084 2.976 -0.630 1.00 0.00 C ATOM 774 C TRP A 56 2.189 2.130 -1.528 1.00 0.00 C ATOM 775 O TRP A 56 1.708 2.599 -2.560 1.00 0.00 O ATOM 776 CB TRP A 56 2.323 3.380 0.634 1.00 0.00 C ATOM 777 CG TRP A 56 3.180 4.084 1.643 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.113 5.401 1.998 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.231 3.507 2.425 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.061 5.678 2.954 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.759 4.533 3.234 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.777 2.225 2.523 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.806 4.313 4.126 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.816 2.009 3.408 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.321 3.048 4.201 1.00 0.00 C ATOM 0 H TRP A 56 3.054 5.019 -1.108 1.00 0.00 H new ATOM 0 HA TRP A 56 3.952 2.380 -0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.492 4.029 0.358 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.893 2.489 1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.418 6.119 1.588 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.219 6.589 3.385 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.394 1.417 1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.197 5.113 4.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.246 1.022 3.490 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.132 2.846 4.885 1.00 0.00 H new ATOM 796 N ILE A 57 1.971 0.881 -1.130 1.00 0.00 N ATOM 797 CA ILE A 57 1.132 -0.030 -1.899 1.00 0.00 C ATOM 798 C ILE A 57 0.238 -0.859 -0.984 1.00 0.00 C ATOM 799 O ILE A 57 0.275 -0.713 0.237 1.00 0.00 O ATOM 800 CB ILE A 57 1.980 -0.978 -2.767 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.019 -1.700 -1.907 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.658 -0.206 -3.889 1.00 0.00 C ATOM 803 CD1 ILE A 57 3.867 -2.684 -2.682 1.00 0.00 C ATOM 0 H ILE A 57 2.364 0.477 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 57 0.510 0.586 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 57 1.322 -1.724 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.670 -0.960 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.508 -2.228 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.254 -0.890 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.901 0.266 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.306 0.560 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.581 -3.158 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.226 -3.446 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.406 -2.158 -3.470 1.00 0.00 H new ATOM 815 N GLY A 58 -0.566 -1.733 -1.584 1.00 0.00 N ATOM 816 CA GLY A 58 -1.457 -2.575 -0.808 1.00 0.00 C ATOM 817 C GLY A 58 -0.711 -3.603 0.020 1.00 0.00 C ATOM 818 O GLY A 58 -1.261 -4.168 0.966 1.00 0.00 O ATOM 0 H GLY A 58 -0.616 -1.872 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.059 -1.950 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.146 -3.086 -1.480 1.00 0.00 H new ATOM 822 N LEU A 59 0.545 -3.848 -0.337 1.00 0.00 N ATOM 823 CA LEU A 59 1.369 -4.816 0.378 1.00 0.00 C ATOM 824 C LEU A 59 1.769 -4.283 1.750 1.00 0.00 C ATOM 825 O LEU A 59 2.327 -3.191 1.865 1.00 0.00 O ATOM 826 CB LEU A 59 2.620 -5.152 -0.437 1.00 0.00 C ATOM 827 CG LEU A 59 3.367 -6.421 -0.027 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.489 -7.646 -0.230 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.662 -6.555 -0.814 1.00 0.00 C ATOM 0 H LEU A 59 1.015 -3.389 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 59 0.781 -5.723 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.333 -5.246 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.310 -4.311 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 59 3.615 -6.348 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.037 -8.540 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.589 -7.553 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.210 -7.724 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.181 -7.464 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.437 -6.606 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.298 -5.692 -0.618 1.00 0.00 H new ATOM 841 N PHE A 60 1.483 -5.062 2.788 1.00 0.00 N ATOM 842 CA PHE A 60 1.814 -4.668 4.153 1.00 0.00 C ATOM 843 C PHE A 60 1.908 -5.889 5.063 1.00 0.00 C ATOM 844 O PHE A 60 1.083 -6.799 4.988 1.00 0.00 O ATOM 845 CB PHE A 60 0.766 -3.694 4.694 1.00 0.00 C ATOM 846 CG PHE A 60 -0.593 -4.310 4.865 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.831 -5.226 5.877 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.633 -3.973 4.013 1.00 0.00 C ATOM 849 CE1 PHE A 60 -2.080 -5.794 6.036 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.885 -4.538 4.168 1.00 0.00 C ATOM 851 CZ PHE A 60 -3.109 -5.449 5.181 1.00 0.00 C ATOM 0 H PHE A 60 1.023 -5.969 2.710 1.00 0.00 H new ATOM 0 HA PHE A 60 2.785 -4.173 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.104 -3.306 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.688 -2.844 4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.031 -5.499 6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.463 -3.261 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.252 -6.507 6.828 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.687 -4.267 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.087 -5.891 5.305 1.00 0.00 H new ATOM 861 N LYS A 61 2.921 -5.902 5.923 1.00 0.00 N ATOM 862 CA LYS A 61 3.125 -7.010 6.849 1.00 0.00 C ATOM 863 C LYS A 61 2.100 -6.970 7.978 1.00 0.00 C ATOM 864 O LYS A 61 1.631 -5.901 8.366 1.00 0.00 O ATOM 865 CB LYS A 61 4.540 -6.962 7.429 1.00 0.00 C ATOM 866 CG LYS A 61 4.849 -8.110 8.375 1.00 0.00 C ATOM 867 CD LYS A 61 6.346 -8.328 8.518 1.00 0.00 C ATOM 868 CE LYS A 61 6.902 -9.153 7.368 1.00 0.00 C ATOM 869 NZ LYS A 61 8.374 -8.984 7.225 1.00 0.00 N ATOM 0 H LYS A 61 3.614 -5.157 5.998 1.00 0.00 H new ATOM 0 HA LYS A 61 2.996 -7.941 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.260 -6.973 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.675 -6.019 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.416 -7.903 9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.381 -9.023 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.853 -7.364 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.553 -8.832 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.672 -10.206 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.411 -8.860 6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.612 -8.849 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.682 -8.153 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.857 -9.832 7.584 1.00 0.00 H new ATOM 883 N ASN A 62 1.758 -8.143 8.502 1.00 0.00 N ATOM 884 CA ASN A 62 0.789 -8.242 9.587 1.00 0.00 C ATOM 885 C ASN A 62 1.452 -8.754 10.863 1.00 0.00 C ATOM 886 O ASN A 62 2.596 -9.208 10.841 1.00 0.00 O ATOM 887 CB ASN A 62 -0.361 -9.169 9.189 1.00 0.00 C ATOM 888 CG ASN A 62 -1.660 -8.811 9.885 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.684 -7.969 10.782 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.748 -9.451 9.472 1.00 0.00 N ATOM 0 H ASN A 62 2.138 -9.038 8.193 1.00 0.00 H new ATOM 0 HA ASN A 62 0.393 -7.245 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.505 -9.122 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.095 -10.198 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.651 -9.252 9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.680 -10.142 8.725 1.00 0.00 H new ATOM 897 N SER A 63 0.724 -8.677 11.973 1.00 0.00 N ATOM 898 CA SER A 63 1.242 -9.129 13.259 1.00 0.00 C ATOM 899 C SER A 63 1.826 -10.534 13.146 1.00 0.00 C ATOM 900 O SER A 63 2.941 -10.793 13.599 1.00 0.00 O ATOM 901 CB SER A 63 0.134 -9.108 14.314 1.00 0.00 C ATOM 902 OG SER A 63 -0.464 -7.826 14.400 1.00 0.00 O ATOM 0 H SER A 63 -0.226 -8.306 12.007 1.00 0.00 H new ATOM 0 HA SER A 63 2.037 -8.448 13.563 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.624 -9.850 14.065 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.546 -9.386 15.284 1.00 0.00 H new ATOM 0 HG SER A 63 -1.170 -7.839 15.080 1.00 0.00 H new ATOM 908 N ASP A 64 1.064 -11.437 12.539 1.00 0.00 N ATOM 909 CA ASP A 64 1.504 -12.816 12.364 1.00 0.00 C ATOM 910 C ASP A 64 2.922 -12.867 11.803 1.00 0.00 C ATOM 911 O ASP A 64 3.715 -13.734 12.170 1.00 0.00 O ATOM 912 CB ASP A 64 0.548 -13.566 11.435 1.00 0.00 C ATOM 913 CG ASP A 64 -0.706 -14.033 12.149 1.00 0.00 C ATOM 914 OD1 ASP A 64 -0.588 -14.534 13.286 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.804 -13.897 11.569 1.00 0.00 O ATOM 0 H ASP A 64 0.138 -11.239 12.160 1.00 0.00 H new ATOM 0 HA ASP A 64 1.501 -13.298 13.341 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.269 -12.917 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.062 -14.427 11.008 1.00 0.00 H new ATOM 920 N GLY A 65 3.234 -11.932 10.911 1.00 0.00 N ATOM 921 CA GLY A 65 4.556 -11.889 10.313 1.00 0.00 C ATOM 922 C GLY A 65 4.525 -12.138 8.819 1.00 0.00 C ATOM 923 O GLY A 65 5.569 -12.188 8.170 1.00 0.00 O ATOM 0 H GLY A 65 2.595 -11.204 10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.007 -10.916 10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.191 -12.636 10.789 1.00 0.00 H new ATOM 927 N GLN A 66 3.323 -12.295 8.272 1.00 0.00 N ATOM 928 CA GLN A 66 3.161 -12.543 6.844 1.00 0.00 C ATOM 929 C GLN A 66 2.726 -11.274 6.118 1.00 0.00 C ATOM 930 O GLN A 66 2.148 -10.369 6.720 1.00 0.00 O ATOM 931 CB GLN A 66 2.138 -13.655 6.611 1.00 0.00 C ATOM 932 CG GLN A 66 2.379 -14.892 7.462 1.00 0.00 C ATOM 933 CD GLN A 66 1.910 -16.165 6.786 1.00 0.00 C ATOM 934 OE1 GLN A 66 2.405 -16.535 5.721 1.00 0.00 O ATOM 935 NE2 GLN A 66 0.950 -16.845 7.403 1.00 0.00 N ATOM 0 H GLN A 66 2.449 -12.255 8.795 1.00 0.00 H new ATOM 0 HA GLN A 66 4.125 -12.857 6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.140 -13.269 6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.156 -13.939 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.443 -14.974 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.862 -14.779 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.568 -16.502 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.595 -17.710 6.995 1.00 0.00 H new ATOM 944 N PHE A 67 3.007 -11.215 4.820 1.00 0.00 N ATOM 945 CA PHE A 67 2.646 -10.057 4.012 1.00 0.00 C ATOM 946 C PHE A 67 1.228 -10.196 3.465 1.00 0.00 C ATOM 947 O PHE A 67 0.880 -11.211 2.861 1.00 0.00 O ATOM 948 CB PHE A 67 3.635 -9.885 2.857 1.00 0.00 C ATOM 949 CG PHE A 67 4.995 -9.425 3.296 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.179 -8.150 3.804 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.090 -10.269 3.201 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.430 -7.724 4.208 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.344 -9.849 3.604 1.00 0.00 C ATOM 954 CZ PHE A 67 7.514 -8.575 4.109 1.00 0.00 C ATOM 0 H PHE A 67 3.484 -11.956 4.306 1.00 0.00 H new ATOM 0 HA PHE A 67 2.686 -9.174 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.734 -10.834 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.229 -9.166 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.335 -7.481 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.962 -11.267 2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.560 -6.726 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.189 -10.516 3.524 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.492 -8.245 4.426 1.00 0.00 H new ATOM 964 N TYR A 68 0.413 -9.170 3.683 1.00 0.00 N ATOM 965 CA TYR A 68 -0.968 -9.178 3.216 1.00 0.00 C ATOM 966 C TYR A 68 -1.208 -8.059 2.207 1.00 0.00 C ATOM 967 O TYR A 68 -0.302 -7.289 1.889 1.00 0.00 O ATOM 968 CB TYR A 68 -1.929 -9.030 4.397 1.00 0.00 C ATOM 969 CG TYR A 68 -1.909 -10.208 5.344 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.799 -10.468 6.138 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.002 -11.060 5.446 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.777 -11.543 7.005 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.989 -12.137 6.311 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.874 -12.375 7.088 1.00 0.00 C ATOM 975 OH TYR A 68 -1.857 -13.447 7.951 1.00 0.00 O ATOM 0 H TYR A 68 0.685 -8.322 4.180 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.153 -10.133 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.675 -8.126 4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.942 -8.898 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.062 -9.818 6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.876 -10.877 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.094 -11.731 7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.847 -12.789 6.379 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.707 -13.931 7.889 1.00 0.00 H new ATOM 985 N TRP A 69 -2.436 -7.975 1.708 1.00 0.00 N ATOM 986 CA TRP A 69 -2.798 -6.950 0.736 1.00 0.00 C ATOM 987 C TRP A 69 -3.825 -5.985 1.318 1.00 0.00 C ATOM 988 O TRP A 69 -4.445 -6.268 2.343 1.00 0.00 O ATOM 989 CB TRP A 69 -3.350 -7.596 -0.536 1.00 0.00 C ATOM 990 CG TRP A 69 -2.281 -8.089 -1.464 1.00 0.00 C ATOM 991 CD1 TRP A 69 -2.021 -9.387 -1.799 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.328 -7.290 -2.174 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.964 -9.443 -2.675 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.521 -8.171 -2.922 1.00 0.00 C ATOM 995 CE3 TRP A 69 -1.079 -5.918 -2.253 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.515 -7.721 -3.735 1.00 0.00 C ATOM 997 CZ3 TRP A 69 -0.049 -5.473 -3.061 1.00 0.00 C ATOM 998 CH2 TRP A 69 0.737 -6.372 -3.793 1.00 0.00 C ATOM 0 H TRP A 69 -3.198 -8.604 1.961 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.898 -6.387 0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.995 -8.430 -0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.972 -6.872 -1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.566 -10.243 -1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.572 -10.295 -3.077 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.680 -5.217 -1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.122 -8.412 -4.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.153 -4.414 -3.129 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.534 -5.993 -4.416 1.00 0.00 H new ATOM 1009 N ASP A 70 -4.001 -4.846 0.657 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.955 -3.840 1.109 1.00 0.00 C ATOM 1011 C ASP A 70 -6.270 -3.956 0.344 1.00 0.00 C ATOM 1012 O ASP A 70 -6.309 -3.776 -0.873 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.371 -2.437 0.934 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.163 -1.383 1.682 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -5.257 -1.481 2.923 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -5.691 -0.460 1.025 1.00 0.00 O ATOM 0 H ASP A 70 -3.496 -4.596 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.154 -4.013 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.339 -2.430 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.348 -2.186 -0.126 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.344 -4.257 1.066 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.660 -4.399 0.455 1.00 0.00 C ATOM 1023 C ARG A 71 -9.645 -3.394 1.045 1.00 0.00 C ATOM 1024 O ARG A 71 -10.854 -3.622 1.049 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.187 -5.822 0.653 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.661 -6.814 -0.371 1.00 0.00 C ATOM 1027 CD ARG A 71 -9.347 -6.643 -1.717 1.00 0.00 C ATOM 1028 NE ARG A 71 -9.276 -7.856 -2.526 1.00 0.00 N ATOM 1029 CZ ARG A 71 -9.729 -7.936 -3.772 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -10.283 -6.879 -4.349 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -9.627 -9.076 -4.445 1.00 0.00 N ATOM 0 H ARG A 71 -7.329 -4.407 2.075 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.560 -4.201 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.916 -6.165 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.276 -5.807 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.586 -6.680 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.817 -7.830 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.391 -6.373 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.883 -5.819 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.855 -8.688 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.362 -6.001 -3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.630 -6.944 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.200 -9.891 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.975 -9.136 -5.402 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.118 -2.279 1.543 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.964 -1.256 2.129 1.00 0.00 C ATOM 1047 C GLY A 72 -9.765 -1.126 3.626 1.00 0.00 C ATOM 1048 O GLY A 72 -8.882 -1.765 4.198 1.00 0.00 O ATOM 0 H GLY A 72 -8.120 -2.066 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.753 -0.298 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.008 -1.491 1.924 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.586 -0.297 4.261 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.494 -0.084 5.701 1.00 0.00 C ATOM 1054 C GLN A 73 -11.289 -1.142 6.459 1.00 0.00 C ATOM 1055 O GLN A 73 -12.518 -1.169 6.402 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.002 1.312 6.065 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.026 1.579 7.561 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.636 1.707 8.154 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -9.142 0.790 8.810 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -8.997 2.848 7.924 1.00 0.00 N ATOM 0 H GLN A 73 -11.323 0.238 3.802 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.446 -0.167 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.370 2.057 5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.008 1.439 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.585 2.495 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.557 0.770 8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.445 3.582 7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.058 2.991 8.297 1.00 0.00 H new ATOM 1069 N GLY A 74 -10.579 -2.012 7.171 1.00 0.00 N ATOM 1070 CA GLY A 74 -11.236 -3.060 7.930 1.00 0.00 C ATOM 1071 C GLY A 74 -11.452 -4.319 7.114 1.00 0.00 C ATOM 1072 O GLY A 74 -11.250 -5.429 7.608 1.00 0.00 O ATOM 0 H GLY A 74 -9.561 -2.010 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.636 -3.299 8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.198 -2.695 8.290 1.00 0.00 H new ATOM 1076 N ILE A 75 -11.866 -4.147 5.863 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.111 -5.279 4.978 1.00 0.00 C ATOM 1078 C ILE A 75 -10.993 -6.311 5.084 1.00 0.00 C ATOM 1079 O ILE A 75 -9.819 -5.960 5.193 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.241 -4.828 3.511 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.341 -3.773 3.375 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.531 -6.022 2.614 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.714 -4.279 3.759 1.00 0.00 C ATOM 0 H ILE A 75 -12.039 -3.235 5.440 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.051 -5.731 5.295 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.296 -4.384 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.091 -2.916 4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.368 -3.419 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.620 -5.687 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.717 -6.743 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.464 -6.493 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.444 -3.478 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.985 -5.117 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.703 -4.606 4.799 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.367 -7.586 5.047 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.396 -8.670 5.138 1.00 0.00 C ATOM 1097 C ASN A 76 -9.369 -8.576 4.013 1.00 0.00 C ATOM 1098 O ASN A 76 -9.706 -8.593 2.829 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.106 -10.024 5.083 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.241 -10.042 4.077 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.087 -9.587 2.943 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -13.388 -10.569 4.489 1.00 0.00 N ATOM 0 H ASN A 76 -12.335 -7.894 4.955 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.875 -8.579 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.384 -10.799 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.496 -10.267 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.187 -10.609 3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.470 -10.934 5.438 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.086 -8.474 4.390 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.984 -8.377 3.429 1.00 0.00 C ATOM 1111 C PRO A 77 -6.760 -9.680 2.669 1.00 0.00 C ATOM 1112 O PRO A 77 -7.575 -10.600 2.742 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.773 -8.055 4.309 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.123 -8.604 5.649 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.613 -8.448 5.784 1.00 0.00 C ATOM 0 HA PRO A 77 -7.179 -7.630 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.865 -8.515 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.592 -6.981 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.831 -9.651 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.601 -8.065 6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.050 -9.255 6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.876 -7.514 6.280 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.650 -9.752 1.942 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.318 -10.944 1.170 1.00 0.00 C ATOM 1125 C ASP A 78 -3.877 -11.373 1.426 1.00 0.00 C ATOM 1126 O ASP A 78 -2.942 -10.597 1.224 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.529 -10.686 -0.323 1.00 0.00 C ATOM 1128 CG ASP A 78 -5.868 -11.951 -1.087 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -7.068 -12.280 -1.187 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -4.932 -12.610 -1.585 1.00 0.00 O ATOM 0 H ASP A 78 -4.965 -8.999 1.871 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.980 -11.749 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.332 -9.960 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.626 -10.242 -0.743 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.705 -12.612 1.873 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.377 -13.145 2.158 1.00 0.00 C ATOM 1137 C LEU A 79 -1.553 -13.266 0.880 1.00 0.00 C ATOM 1138 O LEU A 79 -1.968 -13.917 -0.080 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.489 -14.511 2.837 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.239 -15.002 3.568 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.158 -15.392 2.572 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.727 -13.935 4.524 1.00 0.00 C ATOM 0 H LEU A 79 -4.468 -13.266 2.046 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.871 -12.452 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.312 -14.473 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.757 -15.249 2.081 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.504 -15.885 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.724 -15.739 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.527 -16.190 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.105 -14.527 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.163 -14.302 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.478 -13.034 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.499 -13.704 5.259 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.383 -12.637 0.876 1.00 0.00 N ATOM 1155 CA LEU A 80 0.502 -12.675 -0.283 1.00 0.00 C ATOM 1156 C LEU A 80 0.996 -14.095 -0.544 1.00 0.00 C ATOM 1157 O LEU A 80 1.965 -14.547 0.063 1.00 0.00 O ATOM 1158 CB LEU A 80 1.693 -11.740 -0.071 1.00 0.00 C ATOM 1159 CG LEU A 80 2.648 -11.590 -1.256 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.167 -10.493 -2.194 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.060 -11.297 -0.770 1.00 0.00 C ATOM 0 H LEU A 80 -0.025 -12.095 1.662 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.064 -12.341 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.312 -10.753 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.263 -12.099 0.786 1.00 0.00 H new ATOM 0 HG LEU A 80 2.663 -12.530 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.859 -10.401 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.175 -10.744 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.122 -9.547 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.726 -11.193 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.062 -10.371 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.405 -12.116 -0.139 1.00 0.00 H new ATOM 1173 N ASN A 81 0.323 -14.792 -1.454 1.00 0.00 N ATOM 1174 CA ASN A 81 0.694 -16.160 -1.797 1.00 0.00 C ATOM 1175 C ASN A 81 1.030 -16.276 -3.281 1.00 0.00 C ATOM 1176 O ASN A 81 1.524 -17.308 -3.736 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.441 -17.123 -1.443 1.00 0.00 C ATOM 1178 CG ASN A 81 -0.203 -18.520 -1.982 1.00 0.00 C ATOM 1179 OD1 ASN A 81 0.926 -19.010 -1.990 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -1.269 -19.169 -2.435 1.00 0.00 N ATOM 0 H ASN A 81 -0.482 -14.432 -1.967 1.00 0.00 H new ATOM 0 HA ASN A 81 1.580 -16.425 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.551 -17.168 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.379 -16.737 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.171 -20.113 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.186 -18.724 -2.409 1.00 0.00 H new ATOM 1187 N GLN A 82 0.759 -15.211 -4.029 1.00 0.00 N ATOM 1188 CA GLN A 82 1.033 -15.195 -5.461 1.00 0.00 C ATOM 1189 C GLN A 82 2.379 -15.843 -5.765 1.00 0.00 C ATOM 1190 O GLN A 82 3.359 -15.667 -5.040 1.00 0.00 O ATOM 1191 CB GLN A 82 1.014 -13.759 -5.989 1.00 0.00 C ATOM 1192 CG GLN A 82 1.763 -12.776 -5.104 1.00 0.00 C ATOM 1193 CD GLN A 82 1.383 -11.335 -5.381 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.277 -10.899 -5.058 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.299 -10.585 -5.982 1.00 0.00 N ATOM 0 H GLN A 82 0.350 -14.349 -3.668 1.00 0.00 H new ATOM 0 HA GLN A 82 0.253 -15.769 -5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.451 -13.742 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.021 -13.431 -6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.560 -13.007 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.835 -12.901 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.203 -10.986 -6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.099 -9.607 -6.193 1.00 0.00 H new ATOM 1204 N PRO A 83 2.432 -16.611 -6.864 1.00 0.00 N ATOM 1205 CA PRO A 83 3.653 -17.301 -7.289 1.00 0.00 C ATOM 1206 C PRO A 83 4.719 -16.335 -7.795 1.00 0.00 C ATOM 1207 O PRO A 83 5.902 -16.673 -7.847 1.00 0.00 O ATOM 1208 CB PRO A 83 3.171 -18.208 -8.425 1.00 0.00 C ATOM 1209 CG PRO A 83 1.951 -17.536 -8.954 1.00 0.00 C ATOM 1210 CD PRO A 83 1.303 -16.865 -7.775 1.00 0.00 C ATOM 0 HA PRO A 83 4.124 -17.839 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.932 -18.313 -9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.945 -19.211 -8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.209 -16.809 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.275 -18.258 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.804 -15.940 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.550 -17.503 -7.313 1.00 0.00 H new ATOM 1218 N ILE A 84 4.292 -15.133 -8.167 1.00 0.00 N ATOM 1219 CA ILE A 84 5.210 -14.118 -8.667 1.00 0.00 C ATOM 1220 C ILE A 84 5.292 -12.932 -7.712 1.00 0.00 C ATOM 1221 O ILE A 84 4.281 -12.487 -7.168 1.00 0.00 O ATOM 1222 CB ILE A 84 4.788 -13.613 -10.059 1.00 0.00 C ATOM 1223 CG1 ILE A 84 4.820 -14.759 -11.073 1.00 0.00 C ATOM 1224 CG2 ILE A 84 5.693 -12.476 -10.508 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.293 -14.374 -12.437 1.00 0.00 C ATOM 0 H ILE A 84 3.316 -14.839 -8.131 1.00 0.00 H new ATOM 0 HA ILE A 84 6.190 -14.589 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 84 3.767 -13.235 -9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.845 -15.114 -11.176 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.232 -15.591 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.381 -12.130 -11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.624 -11.653 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.723 -12.828 -10.556 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.346 -15.235 -13.104 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.257 -14.047 -12.348 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.896 -13.562 -12.844 1.00 0.00 H new ATOM 1237 N THR A 85 6.504 -12.422 -7.513 1.00 0.00 N ATOM 1238 CA THR A 85 6.718 -11.287 -6.624 1.00 0.00 C ATOM 1239 C THR A 85 7.712 -10.298 -7.225 1.00 0.00 C ATOM 1240 O THR A 85 8.337 -10.576 -8.248 1.00 0.00 O ATOM 1241 CB THR A 85 7.234 -11.742 -5.246 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.408 -12.547 -5.403 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.167 -12.531 -4.502 1.00 0.00 C ATOM 0 H THR A 85 7.352 -12.777 -7.955 1.00 0.00 H new ATOM 0 HA THR A 85 5.752 -10.797 -6.498 1.00 0.00 H new ATOM 0 HB THR A 85 7.479 -10.854 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.638 -12.961 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.554 -12.842 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.286 -11.905 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.895 -13.412 -5.083 1.00 0.00 H new ATOM 1251 N TYR A 86 7.853 -9.144 -6.582 1.00 0.00 N ATOM 1252 CA TYR A 86 8.769 -8.114 -7.054 1.00 0.00 C ATOM 1253 C TYR A 86 9.743 -7.704 -5.953 1.00 0.00 C ATOM 1254 O TYR A 86 10.402 -6.668 -6.045 1.00 0.00 O ATOM 1255 CB TYR A 86 7.989 -6.892 -7.541 1.00 0.00 C ATOM 1256 CG TYR A 86 6.912 -7.223 -8.548 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.239 -7.649 -9.830 1.00 0.00 C ATOM 1258 CD2 TYR A 86 5.567 -7.110 -8.220 1.00 0.00 C ATOM 1259 CE1 TYR A 86 6.258 -7.952 -10.754 1.00 0.00 C ATOM 1260 CE2 TYR A 86 4.579 -7.413 -9.137 1.00 0.00 C ATOM 1261 CZ TYR A 86 4.930 -7.833 -10.403 1.00 0.00 C ATOM 1262 OH TYR A 86 3.949 -8.134 -11.320 1.00 0.00 O ATOM 0 H TYR A 86 7.344 -8.899 -5.733 1.00 0.00 H new ATOM 0 HA TYR A 86 9.341 -8.526 -7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.533 -6.397 -6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.685 -6.181 -7.986 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.278 -7.745 -10.108 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.289 -6.779 -7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.530 -8.280 -11.746 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.538 -7.322 -8.864 1.00 0.00 H new ATOM 0 HH TYR A 86 3.328 -7.380 -11.394 1.00 0.00 H new ATOM 1272 N TRP A 87 9.827 -8.525 -4.912 1.00 0.00 N ATOM 1273 CA TRP A 87 10.720 -8.250 -3.792 1.00 0.00 C ATOM 1274 C TRP A 87 12.086 -7.786 -4.286 1.00 0.00 C ATOM 1275 O TRP A 87 12.707 -8.438 -5.125 1.00 0.00 O ATOM 1276 CB TRP A 87 10.876 -9.496 -2.919 1.00 0.00 C ATOM 1277 CG TRP A 87 9.629 -9.856 -2.170 1.00 0.00 C ATOM 1278 CD1 TRP A 87 8.947 -11.037 -2.234 1.00 0.00 C ATOM 1279 CD2 TRP A 87 8.917 -9.028 -1.244 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.852 -10.993 -1.405 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.812 -9.772 -0.786 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.105 -7.732 -0.757 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 6.901 -9.260 0.135 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.200 -7.225 0.156 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.110 -7.988 0.595 1.00 0.00 C ATOM 0 H TRP A 87 9.288 -9.386 -4.820 1.00 0.00 H new ATOM 0 HA TRP A 87 10.279 -7.451 -3.196 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.169 -10.337 -3.547 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.685 -9.333 -2.207 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.227 -11.882 -2.846 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.178 -11.747 -1.272 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.943 -7.137 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.060 -9.846 0.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.335 -6.224 0.538 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.421 -7.564 1.311 1.00 0.00 H new ATOM 1296 N ALA A 88 12.548 -6.655 -3.762 1.00 0.00 N ATOM 1297 CA ALA A 88 13.841 -6.106 -4.148 1.00 0.00 C ATOM 1298 C ALA A 88 14.973 -7.064 -3.793 1.00 0.00 C ATOM 1299 O ALA A 88 14.735 -8.159 -3.284 1.00 0.00 O ATOM 1300 CB ALA A 88 14.062 -4.756 -3.482 1.00 0.00 C ATOM 0 H ALA A 88 12.045 -6.101 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 88 13.841 -5.970 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.032 -4.358 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.277 -4.066 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.036 -4.876 -2.399 1.00 0.00 H new ATOM 1306 N ASN A 89 16.204 -6.645 -4.067 1.00 0.00 N ATOM 1307 CA ASN A 89 17.373 -7.468 -3.777 1.00 0.00 C ATOM 1308 C ASN A 89 17.427 -7.835 -2.297 1.00 0.00 C ATOM 1309 O ASN A 89 17.691 -6.987 -1.446 1.00 0.00 O ATOM 1310 CB ASN A 89 18.653 -6.732 -4.178 1.00 0.00 C ATOM 1311 CG ASN A 89 19.043 -6.993 -5.620 1.00 0.00 C ATOM 1312 OD1 ASN A 89 19.612 -8.036 -5.941 1.00 0.00 O ATOM 1313 ND2 ASN A 89 18.737 -6.044 -6.497 1.00 0.00 N ATOM 0 H ASN A 89 16.418 -5.741 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 89 17.292 -8.387 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.514 -5.661 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.467 -7.041 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.974 -6.164 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.265 -5.195 -6.186 1.00 0.00 H new ATOM 1320 N GLY A 90 17.175 -9.106 -1.998 1.00 0.00 N ATOM 1321 CA GLY A 90 17.200 -9.563 -0.621 1.00 0.00 C ATOM 1322 C GLY A 90 15.820 -9.592 0.005 1.00 0.00 C ATOM 1323 O GLY A 90 15.546 -10.412 0.881 1.00 0.00 O ATOM 0 H GLY A 90 16.954 -9.827 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.635 -10.562 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.847 -8.909 -0.036 1.00 0.00 H new ATOM 1327 N GLU A 91 14.950 -8.693 -0.443 1.00 0.00 N ATOM 1328 CA GLU A 91 13.592 -8.617 0.083 1.00 0.00 C ATOM 1329 C GLU A 91 12.860 -9.943 -0.108 1.00 0.00 C ATOM 1330 O GLU A 91 13.164 -10.725 -1.008 1.00 0.00 O ATOM 1331 CB GLU A 91 12.817 -7.491 -0.605 1.00 0.00 C ATOM 1332 CG GLU A 91 13.301 -6.101 -0.230 1.00 0.00 C ATOM 1333 CD GLU A 91 14.812 -5.976 -0.280 1.00 0.00 C ATOM 1334 OE1 GLU A 91 15.398 -6.283 -1.339 1.00 0.00 O ATOM 1335 OE2 GLU A 91 15.408 -5.571 0.740 1.00 0.00 O ATOM 0 H GLU A 91 15.161 -8.008 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 91 13.654 -8.406 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.896 -7.615 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.761 -7.580 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.857 -5.371 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.953 -5.858 0.774 1.00 0.00 H new ATOM 1342 N PRO A 92 11.872 -10.203 0.761 1.00 0.00 N ATOM 1343 CA PRO A 92 11.501 -9.280 1.838 1.00 0.00 C ATOM 1344 C PRO A 92 12.568 -9.198 2.925 1.00 0.00 C ATOM 1345 O PRO A 92 13.209 -10.196 3.254 1.00 0.00 O ATOM 1346 CB PRO A 92 10.212 -9.887 2.398 1.00 0.00 C ATOM 1347 CG PRO A 92 10.302 -11.337 2.067 1.00 0.00 C ATOM 1348 CD PRO A 92 11.041 -11.418 0.760 1.00 0.00 C ATOM 0 HA PRO A 92 11.385 -8.258 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.135 -9.730 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.331 -9.432 1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.830 -11.884 2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.310 -11.780 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.649 -12.320 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.356 -11.436 -0.088 1.00 0.00 H new ATOM 1356 N SER A 93 12.752 -8.004 3.478 1.00 0.00 N ATOM 1357 CA SER A 93 13.743 -7.792 4.526 1.00 0.00 C ATOM 1358 C SER A 93 13.254 -8.352 5.858 1.00 0.00 C ATOM 1359 O SER A 93 12.055 -8.371 6.133 1.00 0.00 O ATOM 1360 CB SER A 93 14.054 -6.301 4.670 1.00 0.00 C ATOM 1361 OG SER A 93 15.365 -6.098 5.167 1.00 0.00 O ATOM 0 H SER A 93 12.228 -7.169 3.218 1.00 0.00 H new ATOM 0 HA SER A 93 14.653 -8.320 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.949 -5.810 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.331 -5.839 5.343 1.00 0.00 H new ATOM 0 HG SER A 93 15.319 -5.811 6.103 1.00 0.00 H new ATOM 1367 N ASN A 94 14.193 -8.807 6.682 1.00 0.00 N ATOM 1368 CA ASN A 94 13.859 -9.368 7.986 1.00 0.00 C ATOM 1369 C ASN A 94 14.100 -8.349 9.095 1.00 0.00 C ATOM 1370 O ASN A 94 14.639 -8.681 10.151 1.00 0.00 O ATOM 1371 CB ASN A 94 14.684 -10.629 8.248 1.00 0.00 C ATOM 1372 CG ASN A 94 16.123 -10.313 8.610 1.00 0.00 C ATOM 1373 OD1 ASN A 94 16.548 -9.159 8.561 1.00 0.00 O ATOM 1374 ND2 ASN A 94 16.880 -11.341 8.976 1.00 0.00 N ATOM 0 H ASN A 94 15.191 -8.798 6.470 1.00 0.00 H new ATOM 0 HA ASN A 94 12.801 -9.629 7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.225 -11.199 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.666 -11.263 7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.856 -11.190 9.231 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.485 -12.281 9.002 1.00 0.00 H new ATOM 1381 N ASP A 95 13.697 -7.108 8.848 1.00 0.00 N ATOM 1382 CA ASP A 95 13.867 -6.039 9.826 1.00 0.00 C ATOM 1383 C ASP A 95 12.606 -5.865 10.665 1.00 0.00 C ATOM 1384 O ASP A 95 11.494 -5.761 10.146 1.00 0.00 O ATOM 1385 CB ASP A 95 14.213 -4.726 9.123 1.00 0.00 C ATOM 1386 CG ASP A 95 15.705 -4.556 8.916 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.238 -5.127 7.941 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.340 -3.850 9.727 1.00 0.00 O ATOM 0 H ASP A 95 13.250 -6.817 7.979 1.00 0.00 H new ATOM 0 HA ASP A 95 14.687 -6.314 10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.709 -4.690 8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.833 -3.891 9.712 1.00 0.00 H new ATOM 1393 N PRO A 96 12.779 -5.832 11.995 1.00 0.00 N ATOM 1394 CA PRO A 96 11.665 -5.671 12.935 1.00 0.00 C ATOM 1395 C PRO A 96 11.059 -4.273 12.881 1.00 0.00 C ATOM 1396 O PRO A 96 9.916 -4.063 13.289 1.00 0.00 O ATOM 1397 CB PRO A 96 12.313 -5.921 14.299 1.00 0.00 C ATOM 1398 CG PRO A 96 13.750 -5.579 14.104 1.00 0.00 C ATOM 1399 CD PRO A 96 14.075 -5.950 12.684 1.00 0.00 C ATOM 0 HA PRO A 96 10.840 -6.347 12.710 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.860 -5.301 15.072 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.192 -6.958 14.611 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.926 -4.518 14.280 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.380 -6.127 14.804 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.821 -5.281 12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.476 -6.961 12.615 1.00 0.00 H new ATOM 1407 N THR A 97 11.832 -3.317 12.375 1.00 0.00 N ATOM 1408 CA THR A 97 11.372 -1.938 12.268 1.00 0.00 C ATOM 1409 C THR A 97 10.521 -1.737 11.019 1.00 0.00 C ATOM 1410 O THR A 97 9.535 -1.001 11.040 1.00 0.00 O ATOM 1411 CB THR A 97 12.555 -0.952 12.234 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.439 -1.284 11.157 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.318 -0.976 13.549 1.00 0.00 C ATOM 0 H THR A 97 12.780 -3.473 12.033 1.00 0.00 H new ATOM 0 HA THR A 97 10.767 -1.737 13.152 1.00 0.00 H new ATOM 0 HB THR A 97 12.158 0.052 12.081 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.187 -0.651 11.141 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.149 -0.272 13.501 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.650 -0.694 14.363 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.703 -1.980 13.728 1.00 0.00 H new ATOM 1421 N ARG A 98 10.909 -2.397 9.933 1.00 0.00 N ATOM 1422 CA ARG A 98 10.181 -2.290 8.674 1.00 0.00 C ATOM 1423 C ARG A 98 9.142 -3.400 8.550 1.00 0.00 C ATOM 1424 O ARG A 98 9.484 -4.582 8.520 1.00 0.00 O ATOM 1425 CB ARG A 98 11.151 -2.351 7.492 1.00 0.00 C ATOM 1426 CG ARG A 98 12.399 -1.504 7.684 1.00 0.00 C ATOM 1427 CD ARG A 98 13.557 -2.021 6.845 1.00 0.00 C ATOM 1428 NE ARG A 98 14.465 -0.949 6.447 1.00 0.00 N ATOM 1429 CZ ARG A 98 15.259 -0.304 7.296 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.256 -0.622 8.583 1.00 0.00 N ATOM 1431 NH2 ARG A 98 16.057 0.660 6.857 1.00 0.00 N ATOM 0 H ARG A 98 11.723 -3.011 9.899 1.00 0.00 H new ATOM 0 HA ARG A 98 9.665 -1.330 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.447 -3.387 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.634 -2.022 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.184 -0.471 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.682 -1.504 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.108 -2.772 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.168 -2.516 5.955 1.00 0.00 H new ATOM 0 HE ARG A 98 14.492 -0.680 5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.644 -1.363 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.866 -0.126 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.062 0.907 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.666 1.154 7.509 1.00 0.00 H new ATOM 1445 N GLN A 99 7.873 -3.011 8.481 1.00 0.00 N ATOM 1446 CA GLN A 99 6.784 -3.974 8.363 1.00 0.00 C ATOM 1447 C GLN A 99 5.988 -3.740 7.083 1.00 0.00 C ATOM 1448 O GLN A 99 5.513 -4.686 6.454 1.00 0.00 O ATOM 1449 CB GLN A 99 5.859 -3.881 9.578 1.00 0.00 C ATOM 1450 CG GLN A 99 6.600 -3.723 10.896 1.00 0.00 C ATOM 1451 CD GLN A 99 5.813 -4.260 12.075 1.00 0.00 C ATOM 1452 OE1 GLN A 99 5.459 -5.439 12.114 1.00 0.00 O ATOM 1453 NE2 GLN A 99 5.536 -3.397 13.045 1.00 0.00 N ATOM 0 H GLN A 99 7.574 -2.036 8.505 1.00 0.00 H new ATOM 0 HA GLN A 99 7.218 -4.973 8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.184 -3.035 9.447 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.241 -4.778 9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.556 -4.242 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.820 -2.668 11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.849 -2.429 12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.010 -3.702 13.864 1.00 0.00 H new ATOM 1462 N CYS A 100 5.845 -2.475 6.704 1.00 0.00 N ATOM 1463 CA CYS A 100 5.106 -2.116 5.500 1.00 0.00 C ATOM 1464 C CYS A 100 6.018 -2.129 4.277 1.00 0.00 C ATOM 1465 O CYS A 100 7.241 -2.192 4.401 1.00 0.00 O ATOM 1466 CB CYS A 100 4.470 -0.733 5.660 1.00 0.00 C ATOM 1467 SG CYS A 100 3.284 -0.616 7.038 1.00 0.00 S ATOM 0 H CYS A 100 6.232 -1.681 7.214 1.00 0.00 H new ATOM 0 HA CYS A 100 4.320 -2.856 5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.260 0.003 5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.961 -0.469 4.733 1.00 0.00 H new ATOM 1472 N VAL A 101 5.414 -2.070 3.094 1.00 0.00 N ATOM 1473 CA VAL A 101 6.171 -2.074 1.848 1.00 0.00 C ATOM 1474 C VAL A 101 5.761 -0.911 0.952 1.00 0.00 C ATOM 1475 O VAL A 101 4.581 -0.570 0.860 1.00 0.00 O ATOM 1476 CB VAL A 101 5.977 -3.394 1.078 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.835 -3.411 -0.178 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.299 -4.583 1.970 1.00 0.00 C ATOM 0 H VAL A 101 4.403 -2.019 2.973 1.00 0.00 H new ATOM 0 HA VAL A 101 7.222 -1.969 2.116 1.00 0.00 H new ATOM 0 HB VAL A 101 4.932 -3.468 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.685 -4.351 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.551 -2.580 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.885 -3.314 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.157 -5.507 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.334 -4.517 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.637 -4.578 2.836 1.00 0.00 H new ATOM 1488 N TYR A 102 6.742 -0.305 0.293 1.00 0.00 N ATOM 1489 CA TYR A 102 6.484 0.823 -0.594 1.00 0.00 C ATOM 1490 C TYR A 102 7.134 0.603 -1.957 1.00 0.00 C ATOM 1491 O TYR A 102 8.287 0.182 -2.048 1.00 0.00 O ATOM 1492 CB TYR A 102 7.005 2.119 0.028 1.00 0.00 C ATOM 1493 CG TYR A 102 8.504 2.287 -0.087 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.077 2.815 -1.238 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.346 1.916 0.954 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.445 2.969 -1.348 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.716 2.068 0.853 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.260 2.595 -0.300 1.00 0.00 C ATOM 1499 OH TYR A 102 12.624 2.747 -0.405 1.00 0.00 O ATOM 0 H TYR A 102 7.723 -0.576 0.356 1.00 0.00 H new ATOM 0 HA TYR A 102 5.406 0.903 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.515 2.966 -0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.725 2.145 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.442 3.110 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.923 1.502 1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.874 3.380 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.357 1.776 1.672 1.00 0.00 H new ATOM 0 HH TYR A 102 12.894 2.642 -1.341 1.00 0.00 H new ATOM 1509 N PHE A 103 6.384 0.892 -3.016 1.00 0.00 N ATOM 1510 CA PHE A 103 6.886 0.726 -4.375 1.00 0.00 C ATOM 1511 C PHE A 103 8.060 1.663 -4.640 1.00 0.00 C ATOM 1512 O PHE A 103 7.896 2.883 -4.686 1.00 0.00 O ATOM 1513 CB PHE A 103 5.770 0.989 -5.389 1.00 0.00 C ATOM 1514 CG PHE A 103 6.144 0.630 -6.799 1.00 0.00 C ATOM 1515 CD1 PHE A 103 6.982 1.450 -7.537 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.656 -0.527 -7.386 1.00 0.00 C ATOM 1517 CE1 PHE A 103 7.328 1.122 -8.835 1.00 0.00 C ATOM 1518 CE2 PHE A 103 5.999 -0.859 -8.682 1.00 0.00 C ATOM 1519 CZ PHE A 103 6.835 -0.033 -9.408 1.00 0.00 C ATOM 0 H PHE A 103 5.428 1.242 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 103 7.233 -0.302 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 103 4.886 0.420 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.497 2.044 -5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.369 2.355 -7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.001 -1.176 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.983 1.769 -9.400 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.614 -1.764 -9.128 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.102 -0.290 -10.422 1.00 0.00 H new ATOM 1529 N ASP A 104 9.243 1.085 -4.813 1.00 0.00 N ATOM 1530 CA ASP A 104 10.446 1.868 -5.074 1.00 0.00 C ATOM 1531 C ASP A 104 10.549 2.229 -6.553 1.00 0.00 C ATOM 1532 O ASP A 104 10.895 1.390 -7.384 1.00 0.00 O ATOM 1533 CB ASP A 104 11.690 1.093 -4.638 1.00 0.00 C ATOM 1534 CG ASP A 104 12.840 2.007 -4.263 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.472 2.571 -5.181 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.107 2.158 -3.053 1.00 0.00 O ATOM 0 H ASP A 104 9.395 0.077 -4.777 1.00 0.00 H new ATOM 0 HA ASP A 104 10.381 2.790 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.440 0.460 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.004 0.432 -5.445 1.00 0.00 H new ATOM 1541 N GLY A 105 10.246 3.483 -6.874 1.00 0.00 N ATOM 1542 CA GLY A 105 10.310 3.932 -8.252 1.00 0.00 C ATOM 1543 C GLY A 105 11.734 4.058 -8.756 1.00 0.00 C ATOM 1544 O GLY A 105 12.046 3.632 -9.868 1.00 0.00 O ATOM 0 H GLY A 105 9.957 4.196 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.765 3.232 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.810 4.897 -8.340 1.00 0.00 H new ATOM 1602 N LYS A 110 12.366 -2.745 -12.162 1.00 0.00 N ATOM 1603 CA LYS A 110 10.964 -2.727 -11.760 1.00 0.00 C ATOM 1604 C LYS A 110 10.609 -3.979 -10.965 1.00 0.00 C ATOM 1605 O LYS A 110 9.816 -3.925 -10.025 1.00 0.00 O ATOM 1606 CB LYS A 110 10.061 -2.618 -12.990 1.00 0.00 C ATOM 1607 CG LYS A 110 10.050 -3.870 -13.850 1.00 0.00 C ATOM 1608 CD LYS A 110 9.173 -3.696 -15.078 1.00 0.00 C ATOM 1609 CE LYS A 110 8.592 -5.023 -15.541 1.00 0.00 C ATOM 1610 NZ LYS A 110 8.348 -5.040 -17.010 1.00 0.00 N ATOM 0 HA LYS A 110 10.806 -1.857 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.043 -2.402 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.388 -1.774 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.068 -4.109 -14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.690 -4.714 -13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.363 -3.002 -14.853 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.758 -3.253 -15.884 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.275 -5.830 -15.277 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.656 -5.213 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.374 -5.353 -17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.485 -4.084 -17.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.015 -5.695 -17.465 1.00 0.00 H new ATOM 1624 N SER A 111 11.203 -5.105 -11.347 1.00 0.00 N ATOM 1625 CA SER A 111 10.948 -6.372 -10.671 1.00 0.00 C ATOM 1626 C SER A 111 11.598 -6.392 -9.290 1.00 0.00 C ATOM 1627 O SER A 111 11.517 -7.384 -8.567 1.00 0.00 O ATOM 1628 CB SER A 111 11.473 -7.538 -11.511 1.00 0.00 C ATOM 1629 OG SER A 111 10.723 -8.716 -11.273 1.00 0.00 O ATOM 0 H SER A 111 11.864 -5.166 -12.121 1.00 0.00 H new ATOM 0 HA SER A 111 9.870 -6.479 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.424 -7.279 -12.569 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.522 -7.717 -11.275 1.00 0.00 H new ATOM 0 HG SER A 111 11.077 -9.446 -11.823 1.00 0.00 H new ATOM 1635 N LYS A 112 12.243 -5.287 -8.931 1.00 0.00 N ATOM 1636 CA LYS A 112 12.907 -5.174 -7.638 1.00 0.00 C ATOM 1637 C LYS A 112 12.555 -3.854 -6.960 1.00 0.00 C ATOM 1638 O LYS A 112 13.370 -3.279 -6.238 1.00 0.00 O ATOM 1639 CB LYS A 112 14.424 -5.284 -7.809 1.00 0.00 C ATOM 1640 CG LYS A 112 14.858 -6.487 -8.628 1.00 0.00 C ATOM 1641 CD LYS A 112 16.202 -7.022 -8.163 1.00 0.00 C ATOM 1642 CE LYS A 112 16.038 -8.065 -7.068 1.00 0.00 C ATOM 1643 NZ LYS A 112 17.130 -9.077 -7.097 1.00 0.00 N ATOM 0 H LYS A 112 12.320 -4.456 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 112 12.559 -5.991 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.794 -4.377 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.889 -5.338 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.106 -7.272 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.920 -6.209 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 112 16.732 -7.461 -9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.815 -6.199 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.026 -7.572 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.076 -8.565 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.244 -9.492 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.891 -9.827 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 18.019 -8.620 -7.384 1.00 0.00 H new ATOM 1657 N VAL A 113 11.336 -3.380 -7.194 1.00 0.00 N ATOM 1658 CA VAL A 113 10.875 -2.129 -6.603 1.00 0.00 C ATOM 1659 C VAL A 113 10.333 -2.353 -5.196 1.00 0.00 C ATOM 1660 O VAL A 113 10.365 -1.452 -4.357 1.00 0.00 O ATOM 1661 CB VAL A 113 9.781 -1.471 -7.464 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.296 -1.204 -8.870 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.535 -2.343 -7.500 1.00 0.00 C ATOM 0 H VAL A 113 10.649 -3.843 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 113 11.738 -1.465 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 113 9.514 -0.515 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.509 -0.739 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.156 -0.537 -8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.592 -2.145 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.772 -1.863 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.783 -3.315 -7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.155 -2.477 -6.487 1.00 0.00 H new ATOM 1673 N TRP A 114 9.837 -3.558 -4.944 1.00 0.00 N ATOM 1674 CA TRP A 114 9.288 -3.901 -3.637 1.00 0.00 C ATOM 1675 C TRP A 114 10.348 -3.765 -2.549 1.00 0.00 C ATOM 1676 O TRP A 114 11.369 -4.453 -2.571 1.00 0.00 O ATOM 1677 CB TRP A 114 8.735 -5.327 -3.651 1.00 0.00 C ATOM 1678 CG TRP A 114 7.368 -5.427 -4.257 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.724 -4.471 -4.989 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.477 -6.545 -4.181 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.486 -4.927 -5.373 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.311 -6.198 -4.891 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.552 -7.807 -3.586 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.230 -7.066 -5.018 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.478 -8.668 -3.712 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.330 -8.295 -4.424 1.00 0.00 C ATOM 0 H TRP A 114 9.803 -4.315 -5.627 1.00 0.00 H new ATOM 0 HA TRP A 114 8.477 -3.206 -3.418 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.419 -5.969 -4.206 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.701 -5.706 -2.630 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.128 -3.499 -5.231 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.807 -4.404 -5.927 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.433 -8.104 -3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.344 -6.780 -5.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.524 -9.645 -3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.508 -8.991 -4.506 1.00 0.00 H new ATOM 1697 N THR A 115 10.100 -2.872 -1.595 1.00 0.00 N ATOM 1698 CA THR A 115 11.033 -2.645 -0.499 1.00 0.00 C ATOM 1699 C THR A 115 10.293 -2.348 0.800 1.00 0.00 C ATOM 1700 O THR A 115 9.434 -1.467 0.851 1.00 0.00 O ATOM 1701 CB THR A 115 11.991 -1.479 -0.809 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.765 -1.779 -1.975 1.00 0.00 O ATOM 1703 CG2 THR A 115 12.918 -1.214 0.368 1.00 0.00 C ATOM 0 H THR A 115 9.260 -2.294 -1.560 1.00 0.00 H new ATOM 0 HA THR A 115 11.613 -3.561 -0.383 1.00 0.00 H new ATOM 0 HB THR A 115 11.395 -0.585 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.370 -1.033 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.585 -0.387 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.326 -0.958 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.507 -2.107 0.575 1.00 0.00 H new ATOM 1711 N THR A 116 10.631 -3.088 1.852 1.00 0.00 N ATOM 1712 CA THR A 116 9.999 -2.905 3.152 1.00 0.00 C ATOM 1713 C THR A 116 10.563 -1.684 3.870 1.00 0.00 C ATOM 1714 O THR A 116 11.756 -1.394 3.778 1.00 0.00 O ATOM 1715 CB THR A 116 10.184 -4.144 4.047 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.577 -4.370 4.290 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.571 -5.376 3.398 1.00 0.00 C ATOM 0 H THR A 116 11.340 -3.821 1.828 1.00 0.00 H new ATOM 0 HA THR A 116 8.935 -2.756 2.968 1.00 0.00 H new ATOM 0 HB THR A 116 9.676 -3.960 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.753 -4.325 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.714 -6.239 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.505 -5.212 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.055 -5.561 2.439 1.00 0.00 H new ATOM 1725 N ASP A 117 9.699 -0.973 4.586 1.00 0.00 N ATOM 1726 CA ASP A 117 10.112 0.216 5.322 1.00 0.00 C ATOM 1727 C ASP A 117 9.169 0.487 6.490 1.00 0.00 C ATOM 1728 O ASP A 117 8.102 -0.119 6.594 1.00 0.00 O ATOM 1729 CB ASP A 117 10.154 1.429 4.392 1.00 0.00 C ATOM 1730 CG ASP A 117 11.178 2.459 4.829 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.388 2.158 4.763 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.768 3.566 5.236 1.00 0.00 O ATOM 0 H ASP A 117 8.708 -1.199 4.672 1.00 0.00 H new ATOM 0 HA ASP A 117 11.111 0.038 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.385 1.099 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.168 1.892 4.359 1.00 0.00 H new ATOM 1737 N THR A 118 9.569 1.402 7.367 1.00 0.00 N ATOM 1738 CA THR A 118 8.761 1.752 8.529 1.00 0.00 C ATOM 1739 C THR A 118 7.411 2.323 8.108 1.00 0.00 C ATOM 1740 O THR A 118 7.311 3.032 7.106 1.00 0.00 O ATOM 1741 CB THR A 118 9.481 2.777 9.426 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.659 3.106 10.551 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.812 4.040 8.646 1.00 0.00 C ATOM 0 H THR A 118 10.448 1.914 7.295 1.00 0.00 H new ATOM 0 HA THR A 118 8.604 0.833 9.093 1.00 0.00 H new ATOM 0 HB THR A 118 10.412 2.331 9.775 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.124 3.757 11.117 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.320 4.749 9.300 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.462 3.790 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.892 4.488 8.271 1.00 0.00 H new ATOM 1751 N CYS A 119 6.375 2.010 8.879 1.00 0.00 N ATOM 1752 CA CYS A 119 5.031 2.491 8.586 1.00 0.00 C ATOM 1753 C CYS A 119 4.790 3.855 9.226 1.00 0.00 C ATOM 1754 O CYS A 119 3.658 4.207 9.555 1.00 0.00 O ATOM 1755 CB CYS A 119 3.988 1.490 9.087 1.00 0.00 C ATOM 1756 SG CYS A 119 4.389 -0.248 8.717 1.00 0.00 S ATOM 0 H CYS A 119 6.441 1.425 9.712 1.00 0.00 H new ATOM 0 HA CYS A 119 4.937 2.594 7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.878 1.605 10.165 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.024 1.732 8.641 1.00 0.00 H new ATOM 1761 N ALA A 120 5.864 4.619 9.399 1.00 0.00 N ATOM 1762 CA ALA A 120 5.770 5.945 9.997 1.00 0.00 C ATOM 1763 C ALA A 120 6.357 7.007 9.074 1.00 0.00 C ATOM 1764 O ALA A 120 6.137 8.203 9.266 1.00 0.00 O ATOM 1765 CB ALA A 120 6.475 5.967 11.346 1.00 0.00 C ATOM 0 H ALA A 120 6.809 4.342 9.133 1.00 0.00 H new ATOM 0 HA ALA A 120 4.715 6.175 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.397 6.963 11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.008 5.242 12.013 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.526 5.711 11.211 1.00 0.00 H new ATOM 1771 N THR A 121 7.108 6.562 8.070 1.00 0.00 N ATOM 1772 CA THR A 121 7.728 7.474 7.118 1.00 0.00 C ATOM 1773 C THR A 121 6.695 8.058 6.161 1.00 0.00 C ATOM 1774 O THR A 121 5.949 7.336 5.499 1.00 0.00 O ATOM 1775 CB THR A 121 8.828 6.770 6.300 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.859 6.295 7.173 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.425 7.715 5.269 1.00 0.00 C ATOM 0 H THR A 121 7.301 5.576 7.896 1.00 0.00 H new ATOM 0 HA THR A 121 8.176 8.280 7.700 1.00 0.00 H new ATOM 0 HB THR A 121 8.377 5.926 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.553 5.847 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.199 7.195 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.643 8.052 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.861 8.576 5.775 1.00 0.00 H new ATOM 1785 N PRO A 122 6.647 9.396 6.085 1.00 0.00 N ATOM 1786 CA PRO A 122 5.709 10.106 5.211 1.00 0.00 C ATOM 1787 C PRO A 122 6.051 9.936 3.734 1.00 0.00 C ATOM 1788 O PRO A 122 7.039 10.487 3.249 1.00 0.00 O ATOM 1789 CB PRO A 122 5.870 11.569 5.632 1.00 0.00 C ATOM 1790 CG PRO A 122 7.245 11.651 6.200 1.00 0.00 C ATOM 1791 CD PRO A 122 7.506 10.319 6.846 1.00 0.00 C ATOM 0 HA PRO A 122 4.692 9.728 5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.752 12.241 4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.119 11.854 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.978 11.857 5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.319 12.459 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.557 10.038 6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.247 10.328 7.905 1.00 0.00 H new ATOM 1799 N ARG A 123 5.227 9.172 3.025 1.00 0.00 N ATOM 1800 CA ARG A 123 5.443 8.930 1.604 1.00 0.00 C ATOM 1801 C ARG A 123 4.120 8.943 0.843 1.00 0.00 C ATOM 1802 O ARG A 123 3.044 8.768 1.416 1.00 0.00 O ATOM 1803 CB ARG A 123 6.150 7.589 1.395 1.00 0.00 C ATOM 1804 CG ARG A 123 7.666 7.695 1.389 1.00 0.00 C ATOM 1805 CD ARG A 123 8.315 6.378 0.992 1.00 0.00 C ATOM 1806 NE ARG A 123 9.662 6.245 1.541 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.710 6.925 1.090 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.566 7.783 0.089 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.904 6.749 1.641 1.00 0.00 N ATOM 0 H ARG A 123 4.404 8.710 3.411 1.00 0.00 H new ATOM 0 HA ARG A 123 6.074 9.730 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.845 6.900 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.821 7.157 0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.974 8.477 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.015 7.990 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.698 5.550 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.358 6.308 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 123 9.806 5.594 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.649 7.922 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.372 8.304 -0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.018 6.091 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.708 7.272 1.294 1.00 0.00 H new ATOM 1823 N PRO A 124 4.200 9.157 -0.479 1.00 0.00 N ATOM 1824 CA PRO A 124 3.019 9.199 -1.346 1.00 0.00 C ATOM 1825 C PRO A 124 2.370 7.829 -1.508 1.00 0.00 C ATOM 1826 O PRO A 124 2.934 6.812 -1.104 1.00 0.00 O ATOM 1827 CB PRO A 124 3.579 9.686 -2.685 1.00 0.00 C ATOM 1828 CG PRO A 124 5.013 9.283 -2.665 1.00 0.00 C ATOM 1829 CD PRO A 124 5.449 9.374 -1.228 1.00 0.00 C ATOM 0 HA PRO A 124 2.236 9.838 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.052 9.231 -3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.473 10.766 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.139 8.270 -3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.612 9.939 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.198 8.620 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.890 10.345 -1.002 1.00 0.00 H new ATOM 1837 N PHE A 125 1.181 7.808 -2.102 1.00 0.00 N ATOM 1838 CA PHE A 125 0.455 6.562 -2.317 1.00 0.00 C ATOM 1839 C PHE A 125 -0.480 6.678 -3.517 1.00 0.00 C ATOM 1840 O PHE A 125 -0.522 7.710 -4.188 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.345 6.191 -1.067 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.107 7.345 -0.479 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.456 8.310 0.273 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.473 7.464 -0.677 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.155 9.372 0.816 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.177 8.524 -0.137 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.516 9.480 0.610 1.00 0.00 C ATOM 0 H PHE A 125 0.700 8.640 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 125 1.183 5.777 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.045 5.393 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.336 5.794 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.609 8.232 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.994 6.719 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.637 10.117 1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.242 8.605 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.063 10.310 1.032 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.228 5.612 -3.782 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.162 5.593 -4.900 1.00 0.00 C ATOM 1859 C ILE A 126 -3.476 4.926 -4.508 1.00 0.00 C ATOM 1860 O ILE A 126 -3.486 3.827 -3.953 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.570 4.858 -6.117 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.389 5.644 -6.690 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.638 4.645 -7.179 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.130 5.087 -7.997 1.00 0.00 C ATOM 0 H ILE A 126 -1.205 4.750 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.351 6.632 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.209 3.882 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.691 6.680 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.421 5.651 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.204 4.124 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.450 4.047 -6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.027 5.610 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 126 0.966 5.694 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.464 4.060 -7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.666 5.105 -8.742 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.585 5.597 -4.801 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.906 5.071 -4.481 1.00 0.00 C ATOM 1878 C CYS A 127 -6.522 4.375 -5.691 1.00 0.00 C ATOM 1879 O CYS A 127 -6.390 4.843 -6.821 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.825 6.197 -4.003 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.192 7.111 -2.560 1.00 0.00 S ATOM 0 H CYS A 127 -4.594 6.508 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.794 4.339 -3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -6.981 6.897 -4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.799 5.776 -3.754 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.196 3.256 -5.444 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.832 2.496 -6.513 1.00 0.00 C ATOM 1888 C GLN A 128 -9.248 2.087 -6.123 1.00 0.00 C ATOM 1889 O GLN A 128 -9.487 1.626 -5.006 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.004 1.254 -6.848 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.626 0.379 -7.924 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.747 -0.796 -8.302 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.981 -0.728 -9.264 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -6.851 -1.882 -7.545 1.00 0.00 N ATOM 0 H GLN A 128 -7.315 2.856 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.888 3.135 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.012 1.566 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.870 0.662 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.590 0.009 -7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.820 0.983 -8.811 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.499 -1.895 -6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.283 -2.704 -7.751 1.00 0.00 H new