USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 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 35 HIS : no HD1:sc= -3.36 X(o=-3.8,f=-4.2!) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.485 X(o=-3.8,f=-4.3) USER MOD Set 2.1: A 1 LEU N :NH3+ -133:sc= 0.423 (180deg=-2.25!) USER MOD Set 2.2: A 2 ASN : amide:sc= -0.387 K(o=2.2,f=-3.5!) USER MOD Set 2.3: A 46 THR OG1 : rot 74:sc= 2.19 USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.168! USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.112 USER MOD Single : A 5 GLN : amide:sc= -1.03 K(o=-1,f=-3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= -4.2! (180deg=-7.12!) USER MOD Single : A 10 MET CE :methyl -117:sc= -4.92! (180deg=-5.42!) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= -0.41 (180deg=-3.06!) USER MOD Single : A 15 THR OG1 : rot -84:sc= -0.173 USER MOD Single : A 16 TYR OH : rot 18:sc= 1.01 USER MOD Single : A 18 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00517 USER MOD Single : A 29 ASN : amide:sc= -4.15 K(o=-4.2,f=-9.9!) USER MOD Single : A 36 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5.1!) USER MOD Single : A 37 GLN : amide:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.376! C(o=-0.38!,f=-12!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 49 ASN : amide:sc= 0.884 K(o=0.88,f=-0.023) USER MOD Single : A 52 LYS NZ :NH3+ 131:sc= 0.876! (180deg=-0.00754!) USER MOD Single : A 59 HIS : no HE2:sc= 0.872 K(o=0.87,f=-4.5!) USER MOD Single : A 60 ASN : amide:sc= -2.02! C(o=-2!,f=-1.9!) USER MOD Single : A 62 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.051) USER MOD Single : A 64 ASN : amide:sc= 0.873 K(o=0.87,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -9.12! K(o=-9.1!,f=-6.2) USER MOD Single : A 68 SER OG : rot -20:sc= 0.54 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= -12.8! (180deg=-13!) USER MOD Single : A 74 ASN : amide:sc= -0.803 X(o=-0.8,f=-1.3) USER MOD Single : A 79 TYR OH : rot 25:sc= -3.65! USER MOD Single : A 80 THR OG1 : rot -119:sc= 0.224 USER MOD Single : A 82 SER OG : rot 75:sc= 1.21 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA O2B : rot -94:sc= 0.649 USER MOD Single : A 92 COA OAP : rot -105:sc= -5.3 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -11.220 4.956 4.397 1.00 0.00 N ATOM 2 CA LEU A 1 -10.577 6.250 4.838 1.00 0.00 C ATOM 3 C LEU A 1 -9.814 6.067 6.190 1.00 0.00 C ATOM 4 O LEU A 1 -9.854 6.923 7.045 1.00 0.00 O ATOM 5 CB LEU A 1 -11.687 7.354 4.998 1.00 0.00 C ATOM 6 CG LEU A 1 -12.286 7.808 3.635 1.00 0.00 C ATOM 7 CD1 LEU A 1 -13.534 8.640 3.923 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.306 8.757 2.910 1.00 0.00 C ATOM 0 H1 LEU A 1 -11.012 4.790 3.392 1.00 0.00 H new ATOM 0 H2 LEU A 1 -10.842 4.170 4.963 1.00 0.00 H new ATOM 0 H3 LEU A 1 -12.249 5.016 4.532 1.00 0.00 H new ATOM 0 HA LEU A 1 -9.855 6.555 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.487 6.970 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.263 8.218 5.509 1.00 0.00 H new ATOM 0 HG LEU A 1 -12.492 6.925 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -13.975 8.972 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -14.257 8.034 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.262 9.509 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -11.737 9.067 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -11.125 9.635 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.364 8.239 2.730 1.00 0.00 H new ATOM 22 N ASN A 2 -9.136 4.959 6.353 1.00 0.00 N ATOM 23 CA ASN A 2 -8.354 4.643 7.603 1.00 0.00 C ATOM 24 C ASN A 2 -6.855 4.360 7.314 1.00 0.00 C ATOM 25 O ASN A 2 -6.284 3.423 7.851 1.00 0.00 O ATOM 26 CB ASN A 2 -9.047 3.421 8.230 1.00 0.00 C ATOM 27 CG ASN A 2 -9.226 2.392 7.115 1.00 0.00 C ATOM 28 OD1 ASN A 2 -10.050 2.554 6.232 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.477 1.337 7.099 1.00 0.00 N ATOM 0 H ASN A 2 -9.087 4.227 5.645 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.350 5.497 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.446 3.010 9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.011 3.700 8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.579 0.650 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.784 1.192 7.834 1.00 0.00 H new ATOM 36 N CYS A 3 -6.285 5.181 6.476 1.00 0.00 N ATOM 37 CA CYS A 3 -4.852 5.074 6.064 1.00 0.00 C ATOM 38 C CYS A 3 -3.823 4.553 7.086 1.00 0.00 C ATOM 39 O CYS A 3 -3.213 3.563 6.780 1.00 0.00 O ATOM 40 CB CYS A 3 -4.502 6.449 5.536 1.00 0.00 C ATOM 41 SG CYS A 3 -5.341 6.884 3.991 1.00 0.00 S ATOM 0 H CYS A 3 -6.778 5.960 6.039 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.778 4.273 5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.751 7.192 6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.425 6.503 5.379 1.00 0.00 H new ATOM 46 N GLY A 4 -3.593 5.132 8.236 1.00 0.00 N ATOM 47 CA GLY A 4 -2.574 4.582 9.231 1.00 0.00 C ATOM 48 C GLY A 4 -2.166 3.076 9.114 1.00 0.00 C ATOM 49 O GLY A 4 -0.999 2.718 9.078 1.00 0.00 O ATOM 0 H GLY A 4 -4.068 5.979 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.667 5.180 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.968 4.743 10.235 1.00 0.00 H new ATOM 53 N GLN A 5 -3.125 2.177 9.052 1.00 0.00 N ATOM 54 CA GLN A 5 -2.752 0.709 8.944 1.00 0.00 C ATOM 55 C GLN A 5 -1.846 0.441 7.725 1.00 0.00 C ATOM 56 O GLN A 5 -0.940 -0.378 7.739 1.00 0.00 O ATOM 57 CB GLN A 5 -4.063 -0.130 8.864 1.00 0.00 C ATOM 58 CG GLN A 5 -4.798 -0.130 10.261 1.00 0.00 C ATOM 59 CD GLN A 5 -3.937 -0.742 11.381 1.00 0.00 C ATOM 60 OE1 GLN A 5 -2.949 -0.180 11.795 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.248 -1.880 11.907 1.00 0.00 N ATOM 0 H GLN A 5 -4.125 2.379 9.070 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.181 0.418 9.825 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.721 0.282 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.831 -1.153 8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.063 0.893 10.529 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.730 -0.689 10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.074 -2.383 11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.667 -2.276 12.646 1.00 0.00 H new ATOM 70 N VAL A 6 -2.134 1.167 6.686 1.00 0.00 N ATOM 71 CA VAL A 6 -1.371 1.063 5.419 1.00 0.00 C ATOM 72 C VAL A 6 0.119 1.005 5.790 1.00 0.00 C ATOM 73 O VAL A 6 0.785 0.004 5.637 1.00 0.00 O ATOM 74 CB VAL A 6 -1.708 2.308 4.569 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.851 2.271 3.349 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.173 2.317 4.148 1.00 0.00 C ATOM 0 H VAL A 6 -2.892 1.850 6.664 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.622 0.174 4.840 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.525 3.205 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.066 3.140 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.199 2.285 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.059 1.361 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.375 3.207 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.387 1.427 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.806 2.323 5.035 1.00 0.00 H new ATOM 86 N ASP A 7 0.585 2.120 6.287 1.00 0.00 N ATOM 87 CA ASP A 7 1.990 2.320 6.730 1.00 0.00 C ATOM 88 C ASP A 7 2.403 1.165 7.638 1.00 0.00 C ATOM 89 O ASP A 7 3.399 0.498 7.428 1.00 0.00 O ATOM 90 CB ASP A 7 2.014 3.676 7.458 1.00 0.00 C ATOM 91 CG ASP A 7 3.361 3.916 8.130 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.570 3.338 9.194 1.00 0.00 O ATOM 93 OD2 ASP A 7 4.144 4.664 7.566 1.00 0.00 O ATOM 0 H ASP A 7 0.005 2.950 6.409 1.00 0.00 H new ATOM 0 HA ASP A 7 2.699 2.331 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.811 4.477 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.221 3.705 8.206 1.00 0.00 H new ATOM 98 N SER A 8 1.565 1.001 8.627 1.00 0.00 N ATOM 99 CA SER A 8 1.770 -0.078 9.659 1.00 0.00 C ATOM 100 C SER A 8 2.404 -1.334 9.001 1.00 0.00 C ATOM 101 O SER A 8 3.316 -1.950 9.525 1.00 0.00 O ATOM 102 CB SER A 8 0.395 -0.380 10.286 1.00 0.00 C ATOM 103 OG SER A 8 0.712 -1.058 11.497 1.00 0.00 O ATOM 0 H SER A 8 0.733 1.573 8.772 1.00 0.00 H new ATOM 0 HA SER A 8 2.460 0.243 10.439 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.167 0.534 10.476 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.216 -0.999 9.630 1.00 0.00 H new ATOM 0 HG SER A 8 -0.115 -1.290 11.968 1.00 0.00 H new ATOM 109 N LYS A 9 1.868 -1.690 7.851 1.00 0.00 N ATOM 110 CA LYS A 9 2.388 -2.882 7.086 1.00 0.00 C ATOM 111 C LYS A 9 3.302 -2.560 5.832 1.00 0.00 C ATOM 112 O LYS A 9 4.341 -3.149 5.613 1.00 0.00 O ATOM 113 CB LYS A 9 1.111 -3.713 6.656 1.00 0.00 C ATOM 114 CG LYS A 9 -0.183 -3.434 7.532 1.00 0.00 C ATOM 115 CD LYS A 9 -0.068 -3.581 9.090 1.00 0.00 C ATOM 116 CE LYS A 9 0.161 -5.019 9.465 1.00 0.00 C ATOM 117 NZ LYS A 9 1.484 -5.359 8.902 1.00 0.00 N ATOM 0 H LYS A 9 1.089 -1.205 7.406 1.00 0.00 H new ATOM 0 HA LYS A 9 3.064 -3.433 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.883 -3.491 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.349 -4.775 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.519 -2.419 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.968 -4.109 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.753 -2.967 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.979 -3.215 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.148 -5.151 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.618 -5.662 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.979 -6.007 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.360 -5.818 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.045 -4.491 8.785 1.00 0.00 H new ATOM 131 N MET A 10 2.882 -1.611 5.062 1.00 0.00 N ATOM 132 CA MET A 10 3.474 -1.073 3.813 1.00 0.00 C ATOM 133 C MET A 10 4.620 -0.112 4.001 1.00 0.00 C ATOM 134 O MET A 10 5.254 0.228 3.024 1.00 0.00 O ATOM 135 CB MET A 10 2.358 -0.359 3.037 1.00 0.00 C ATOM 136 CG MET A 10 1.167 -1.289 2.888 1.00 0.00 C ATOM 137 SD MET A 10 1.593 -2.900 2.200 1.00 0.00 S ATOM 138 CE MET A 10 1.783 -2.289 0.514 1.00 0.00 C ATOM 0 H MET A 10 2.020 -1.117 5.291 1.00 0.00 H new ATOM 0 HA MET A 10 3.896 -1.926 3.281 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.060 0.549 3.561 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.721 -0.056 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.703 -1.431 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.424 -0.814 2.247 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.042 -2.762 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.639 -1.209 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.783 -2.526 0.152 1.00 0.00 H new ATOM 148 N LYS A 11 4.877 0.334 5.202 1.00 0.00 N ATOM 149 CA LYS A 11 6.009 1.281 5.406 1.00 0.00 C ATOM 150 C LYS A 11 7.307 0.802 4.672 1.00 0.00 C ATOM 151 O LYS A 11 7.717 1.478 3.741 1.00 0.00 O ATOM 152 CB LYS A 11 6.170 1.418 6.952 1.00 0.00 C ATOM 153 CG LYS A 11 7.467 2.208 7.266 1.00 0.00 C ATOM 154 CD LYS A 11 7.077 3.640 7.801 1.00 0.00 C ATOM 155 CE LYS A 11 6.517 3.607 9.270 1.00 0.00 C ATOM 156 NZ LYS A 11 5.720 4.860 9.547 1.00 0.00 N ATOM 0 H LYS A 11 4.356 0.086 6.043 1.00 0.00 H new ATOM 0 HA LYS A 11 5.812 2.258 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.307 1.932 7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.211 0.431 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.061 1.677 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.082 2.295 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.953 4.288 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.329 4.079 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.888 2.728 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.340 3.525 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.921 4.632 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.330 5.565 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.360 5.247 8.652 1.00 0.00 H new ATOM 170 N PRO A 12 7.921 -0.304 5.061 1.00 0.00 N ATOM 171 CA PRO A 12 8.975 -0.969 4.247 1.00 0.00 C ATOM 172 C PRO A 12 8.768 -0.940 2.743 1.00 0.00 C ATOM 173 O PRO A 12 9.731 -0.877 2.000 1.00 0.00 O ATOM 174 CB PRO A 12 9.022 -2.360 4.813 1.00 0.00 C ATOM 175 CG PRO A 12 8.868 -2.076 6.310 1.00 0.00 C ATOM 176 CD PRO A 12 7.699 -1.073 6.328 1.00 0.00 C ATOM 0 HA PRO A 12 9.921 -0.434 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.219 -2.988 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.960 -2.866 4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.639 -2.980 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.776 -1.652 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.732 -1.575 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.730 -0.428 7.206 1.00 0.00 H new ATOM 184 N CYS A 13 7.531 -0.939 2.308 1.00 0.00 N ATOM 185 CA CYS A 13 7.403 -0.930 0.817 1.00 0.00 C ATOM 186 C CYS A 13 7.413 0.523 0.345 1.00 0.00 C ATOM 187 O CYS A 13 8.167 0.859 -0.550 1.00 0.00 O ATOM 188 CB CYS A 13 6.128 -1.679 0.481 1.00 0.00 C ATOM 189 SG CYS A 13 5.965 -3.270 1.326 1.00 0.00 S ATOM 0 H CYS A 13 6.674 -0.944 2.861 1.00 0.00 H new ATOM 0 HA CYS A 13 8.227 -1.426 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.273 -1.054 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.089 -1.845 -0.596 1.00 0.00 H new ATOM 194 N LEU A 14 6.608 1.376 0.933 1.00 0.00 N ATOM 195 CA LEU A 14 6.616 2.805 0.496 1.00 0.00 C ATOM 196 C LEU A 14 8.094 3.217 0.535 1.00 0.00 C ATOM 197 O LEU A 14 8.620 3.628 -0.477 1.00 0.00 O ATOM 198 CB LEU A 14 5.889 3.741 1.455 1.00 0.00 C ATOM 199 CG LEU A 14 6.175 5.211 0.956 1.00 0.00 C ATOM 200 CD1 LEU A 14 5.090 5.675 0.002 1.00 0.00 C ATOM 201 CD2 LEU A 14 6.279 6.140 2.154 1.00 0.00 C ATOM 0 H LEU A 14 5.957 1.149 1.684 1.00 0.00 H new ATOM 0 HA LEU A 14 6.124 2.881 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.819 3.535 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.245 3.602 2.476 1.00 0.00 H new ATOM 0 HG LEU A 14 7.120 5.227 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.307 6.690 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.056 5.011 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.126 5.658 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.477 7.156 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.343 6.121 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.093 5.811 2.800 1.00 0.00 H new ATOM 213 N THR A 15 8.700 3.097 1.704 1.00 0.00 N ATOM 214 CA THR A 15 10.164 3.465 1.880 1.00 0.00 C ATOM 215 C THR A 15 10.850 2.908 0.647 1.00 0.00 C ATOM 216 O THR A 15 11.302 3.658 -0.198 1.00 0.00 O ATOM 217 CB THR A 15 10.757 2.816 3.174 1.00 0.00 C ATOM 218 OG1 THR A 15 10.298 1.484 3.157 1.00 0.00 O ATOM 219 CG2 THR A 15 10.106 3.370 4.425 1.00 0.00 C ATOM 0 H THR A 15 8.244 2.758 2.551 1.00 0.00 H new ATOM 0 HA THR A 15 10.303 4.541 1.987 1.00 0.00 H new ATOM 0 HB THR A 15 11.836 2.973 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.397 1.444 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.544 2.896 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.270 4.446 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.035 3.167 4.398 1.00 0.00 H new ATOM 227 N TYR A 16 10.907 1.608 0.570 1.00 0.00 N ATOM 228 CA TYR A 16 11.534 0.927 -0.603 1.00 0.00 C ATOM 229 C TYR A 16 11.302 1.651 -1.965 1.00 0.00 C ATOM 230 O TYR A 16 12.251 1.888 -2.683 1.00 0.00 O ATOM 231 CB TYR A 16 10.953 -0.499 -0.510 1.00 0.00 C ATOM 232 CG TYR A 16 11.059 -1.407 -1.723 1.00 0.00 C ATOM 233 CD1 TYR A 16 10.150 -1.283 -2.743 1.00 0.00 C ATOM 234 CD2 TYR A 16 12.039 -2.368 -1.806 1.00 0.00 C ATOM 235 CE1 TYR A 16 10.215 -2.112 -3.841 1.00 0.00 C ATOM 236 CE2 TYR A 16 12.096 -3.197 -2.909 1.00 0.00 C ATOM 237 CZ TYR A 16 11.186 -3.079 -3.928 1.00 0.00 C ATOM 238 OH TYR A 16 11.224 -3.933 -5.009 1.00 0.00 O ATOM 0 H TYR A 16 10.540 0.976 1.281 1.00 0.00 H new ATOM 0 HA TYR A 16 12.624 0.932 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.442 -1.002 0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.897 -0.410 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.378 -0.530 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.762 -2.474 -1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.497 -2.001 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 16 12.869 -3.949 -2.970 1.00 0.00 H new ATOM 0 HH TYR A 16 10.692 -3.557 -5.741 1.00 0.00 H new ATOM 248 N VAL A 17 10.091 2.014 -2.314 1.00 0.00 N ATOM 249 CA VAL A 17 9.856 2.706 -3.647 1.00 0.00 C ATOM 250 C VAL A 17 10.277 4.153 -3.737 1.00 0.00 C ATOM 251 O VAL A 17 10.719 4.556 -4.800 1.00 0.00 O ATOM 252 CB VAL A 17 8.375 2.639 -4.056 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.956 1.233 -3.827 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.416 3.541 -3.308 1.00 0.00 C ATOM 0 H VAL A 17 9.255 1.868 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 17 10.503 2.144 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 17 8.321 2.986 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.907 1.117 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.566 0.568 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.087 0.981 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.406 3.397 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.439 3.295 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.712 4.581 -3.446 1.00 0.00 H new ATOM 264 N GLN A 18 10.113 4.921 -2.685 1.00 0.00 N ATOM 265 CA GLN A 18 10.564 6.341 -2.788 1.00 0.00 C ATOM 266 C GLN A 18 12.111 6.249 -2.778 1.00 0.00 C ATOM 267 O GLN A 18 12.798 7.102 -3.298 1.00 0.00 O ATOM 268 CB GLN A 18 9.976 7.148 -1.585 1.00 0.00 C ATOM 269 CG GLN A 18 10.163 6.419 -0.228 1.00 0.00 C ATOM 270 CD GLN A 18 9.614 7.206 0.958 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.352 6.664 2.009 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.424 8.479 0.851 1.00 0.00 N ATOM 0 H GLN A 18 9.703 4.640 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 18 10.225 6.864 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.458 8.125 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.914 7.324 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.668 5.449 -0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.224 6.228 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.638 8.955 -0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.060 9.009 1.643 1.00 0.00 H new ATOM 281 N GLY A 19 12.588 5.196 -2.162 1.00 0.00 N ATOM 282 CA GLY A 19 14.066 4.897 -2.055 1.00 0.00 C ATOM 283 C GLY A 19 14.646 4.685 -0.661 1.00 0.00 C ATOM 284 O GLY A 19 15.679 5.224 -0.316 1.00 0.00 O ATOM 0 H GLY A 19 11.996 4.500 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.271 4.003 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.609 5.718 -2.523 1.00 0.00 H new ATOM 288 N GLY A 20 13.946 3.881 0.089 1.00 0.00 N ATOM 289 CA GLY A 20 14.357 3.544 1.498 1.00 0.00 C ATOM 290 C GLY A 20 14.545 2.026 1.692 1.00 0.00 C ATOM 291 O GLY A 20 14.438 1.276 0.743 1.00 0.00 O ATOM 0 H GLY A 20 13.084 3.428 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.287 4.059 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.602 3.909 2.194 1.00 0.00 H new ATOM 295 N PRO A 21 14.827 1.613 2.909 1.00 0.00 N ATOM 296 CA PRO A 21 15.013 0.162 3.253 1.00 0.00 C ATOM 297 C PRO A 21 13.937 -0.822 2.711 1.00 0.00 C ATOM 298 O PRO A 21 12.938 -0.421 2.147 1.00 0.00 O ATOM 299 CB PRO A 21 15.106 0.190 4.788 1.00 0.00 C ATOM 300 CG PRO A 21 15.792 1.557 5.047 1.00 0.00 C ATOM 301 CD PRO A 21 15.013 2.491 4.106 1.00 0.00 C ATOM 0 HA PRO A 21 15.895 -0.248 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.124 0.131 5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.695 -0.641 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.707 1.865 6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.855 1.531 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.062 2.807 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.573 3.396 3.869 1.00 0.00 H new ATOM 309 N GLY A 22 14.179 -2.097 2.911 1.00 0.00 N ATOM 310 CA GLY A 22 13.203 -3.149 2.431 1.00 0.00 C ATOM 311 C GLY A 22 13.861 -4.086 1.415 1.00 0.00 C ATOM 312 O GLY A 22 15.042 -3.951 1.159 1.00 0.00 O ATOM 0 H GLY A 22 15.006 -2.461 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.839 -3.726 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.337 -2.667 1.978 1.00 0.00 H new ATOM 316 N PRO A 23 13.126 -5.030 0.861 1.00 0.00 N ATOM 317 CA PRO A 23 11.755 -5.471 1.297 1.00 0.00 C ATOM 318 C PRO A 23 11.780 -6.362 2.570 1.00 0.00 C ATOM 319 O PRO A 23 10.756 -6.832 3.032 1.00 0.00 O ATOM 320 CB PRO A 23 11.224 -6.182 0.056 1.00 0.00 C ATOM 321 CG PRO A 23 12.507 -6.874 -0.496 1.00 0.00 C ATOM 322 CD PRO A 23 13.594 -5.790 -0.334 1.00 0.00 C ATOM 0 HA PRO A 23 11.115 -4.646 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.445 -6.904 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.796 -5.483 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.751 -7.775 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.387 -7.171 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.580 -6.226 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.665 -5.153 -1.216 1.00 0.00 H new ATOM 330 N SER A 24 12.983 -6.532 3.053 1.00 0.00 N ATOM 331 CA SER A 24 13.381 -7.330 4.274 1.00 0.00 C ATOM 332 C SER A 24 12.357 -8.266 4.954 1.00 0.00 C ATOM 333 O SER A 24 12.311 -8.378 6.163 1.00 0.00 O ATOM 334 CB SER A 24 13.858 -6.301 5.254 1.00 0.00 C ATOM 335 OG SER A 24 14.901 -5.635 4.547 1.00 0.00 O ATOM 0 H SER A 24 13.793 -6.105 2.603 1.00 0.00 H new ATOM 0 HA SER A 24 14.112 -8.062 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.060 -5.614 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.224 -6.759 6.173 1.00 0.00 H new ATOM 0 HG SER A 24 15.282 -4.931 5.113 1.00 0.00 H new ATOM 341 N GLY A 25 11.548 -8.925 4.179 1.00 0.00 N ATOM 342 CA GLY A 25 10.507 -9.862 4.736 1.00 0.00 C ATOM 343 C GLY A 25 9.284 -8.992 5.038 1.00 0.00 C ATOM 344 O GLY A 25 8.216 -9.168 4.475 1.00 0.00 O ATOM 0 H GLY A 25 11.555 -8.860 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.262 -10.646 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.868 -10.356 5.638 1.00 0.00 H new ATOM 348 N GLU A 26 9.570 -8.091 5.950 1.00 0.00 N ATOM 349 CA GLU A 26 8.620 -7.064 6.485 1.00 0.00 C ATOM 350 C GLU A 26 7.688 -6.493 5.415 1.00 0.00 C ATOM 351 O GLU A 26 6.494 -6.389 5.636 1.00 0.00 O ATOM 352 CB GLU A 26 9.456 -5.924 7.140 1.00 0.00 C ATOM 353 CG GLU A 26 10.378 -5.225 6.079 1.00 0.00 C ATOM 354 CD GLU A 26 11.355 -4.170 6.633 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.415 -3.980 7.839 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.995 -3.605 5.758 1.00 0.00 O ATOM 0 H GLU A 26 10.496 -8.026 6.373 1.00 0.00 H new ATOM 0 HA GLU A 26 7.973 -7.547 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.788 -5.189 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.066 -6.332 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.955 -5.993 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.744 -4.749 5.331 1.00 0.00 H new ATOM 363 N CYS A 27 8.267 -6.149 4.289 1.00 0.00 N ATOM 364 CA CYS A 27 7.443 -5.578 3.194 1.00 0.00 C ATOM 365 C CYS A 27 6.526 -6.664 2.672 1.00 0.00 C ATOM 366 O CYS A 27 5.331 -6.546 2.771 1.00 0.00 O ATOM 367 CB CYS A 27 8.339 -5.084 2.064 1.00 0.00 C ATOM 368 SG CYS A 27 7.397 -4.514 0.617 1.00 0.00 S ATOM 0 H CYS A 27 9.263 -6.240 4.089 1.00 0.00 H new ATOM 0 HA CYS A 27 6.862 -4.736 3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.962 -4.268 2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.011 -5.887 1.761 1.00 0.00 H new ATOM 373 N CYS A 28 7.085 -7.709 2.129 1.00 0.00 N ATOM 374 CA CYS A 28 6.223 -8.817 1.593 1.00 0.00 C ATOM 375 C CYS A 28 5.086 -9.225 2.529 1.00 0.00 C ATOM 376 O CYS A 28 3.952 -9.336 2.098 1.00 0.00 O ATOM 377 CB CYS A 28 7.137 -9.973 1.294 1.00 0.00 C ATOM 378 SG CYS A 28 8.216 -9.661 -0.120 1.00 0.00 S ATOM 0 H CYS A 28 8.090 -7.850 2.030 1.00 0.00 H new ATOM 0 HA CYS A 28 5.713 -8.469 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.747 -10.185 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.539 -10.863 1.100 1.00 0.00 H new ATOM 383 N ASN A 29 5.407 -9.433 3.786 1.00 0.00 N ATOM 384 CA ASN A 29 4.279 -9.821 4.694 1.00 0.00 C ATOM 385 C ASN A 29 3.422 -8.574 4.799 1.00 0.00 C ATOM 386 O ASN A 29 2.273 -8.679 4.458 1.00 0.00 O ATOM 387 CB ASN A 29 4.784 -10.275 6.120 1.00 0.00 C ATOM 388 CG ASN A 29 5.687 -9.292 6.805 1.00 0.00 C ATOM 389 OD1 ASN A 29 6.881 -9.333 6.662 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.207 -8.369 7.572 1.00 0.00 N ATOM 0 H ASN A 29 6.335 -9.358 4.202 1.00 0.00 H new ATOM 0 HA ASN A 29 3.732 -10.677 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.918 -10.458 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.311 -11.224 6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.835 -7.709 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.200 -8.301 7.719 1.00 0.00 H new ATOM 397 N GLY A 30 3.952 -7.458 5.233 1.00 0.00 N ATOM 398 CA GLY A 30 3.152 -6.189 5.353 1.00 0.00 C ATOM 399 C GLY A 30 2.094 -6.044 4.248 1.00 0.00 C ATOM 400 O GLY A 30 0.919 -5.801 4.454 1.00 0.00 O ATOM 0 H GLY A 30 4.927 -7.366 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.660 -6.166 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.828 -5.334 5.317 1.00 0.00 H new ATOM 404 N VAL A 31 2.665 -6.213 3.092 1.00 0.00 N ATOM 405 CA VAL A 31 2.027 -6.175 1.745 1.00 0.00 C ATOM 406 C VAL A 31 0.948 -7.242 1.687 1.00 0.00 C ATOM 407 O VAL A 31 -0.212 -6.935 1.561 1.00 0.00 O ATOM 408 CB VAL A 31 3.119 -6.469 0.681 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.454 -6.745 -0.629 1.00 0.00 C ATOM 410 CG2 VAL A 31 4.008 -5.297 0.383 1.00 0.00 C ATOM 0 H VAL A 31 3.666 -6.397 3.026 1.00 0.00 H new ATOM 0 HA VAL A 31 1.580 -5.200 1.554 1.00 0.00 H new ATOM 0 HB VAL A 31 3.703 -7.294 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.211 -6.953 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.795 -7.608 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.870 -5.876 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.744 -5.581 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.406 -4.470 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.520 -4.988 1.294 1.00 0.00 H new ATOM 420 N ARG A 32 1.334 -8.488 1.772 1.00 0.00 N ATOM 421 CA ARG A 32 0.375 -9.623 1.729 1.00 0.00 C ATOM 422 C ARG A 32 -0.759 -9.369 2.735 1.00 0.00 C ATOM 423 O ARG A 32 -1.922 -9.449 2.375 1.00 0.00 O ATOM 424 CB ARG A 32 1.180 -10.886 2.055 1.00 0.00 C ATOM 425 CG ARG A 32 0.638 -12.102 1.260 1.00 0.00 C ATOM 426 CD ARG A 32 -0.853 -12.369 1.554 1.00 0.00 C ATOM 427 NE ARG A 32 -1.019 -12.526 3.043 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.372 -13.615 3.616 1.00 0.00 C ATOM 429 NH1 ARG A 32 -2.521 -14.072 3.345 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.567 -14.173 4.421 1.00 0.00 N ATOM 0 H ARG A 32 2.309 -8.771 1.873 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.096 -9.737 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.231 -10.726 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.127 -11.091 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.771 -11.925 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.221 -12.988 1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.466 -11.545 1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.187 -13.269 1.037 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.839 -11.713 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.126 -13.575 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.841 -14.937 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.345 -13.754 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.831 -15.041 4.887 1.00 0.00 H new ATOM 444 N ASP A 33 -0.379 -9.081 3.970 1.00 0.00 N ATOM 445 CA ASP A 33 -1.379 -8.800 5.055 1.00 0.00 C ATOM 446 C ASP A 33 -2.327 -7.835 4.386 1.00 0.00 C ATOM 447 O ASP A 33 -3.458 -8.176 4.113 1.00 0.00 O ATOM 448 CB ASP A 33 -0.774 -8.060 6.297 1.00 0.00 C ATOM 449 CG ASP A 33 0.549 -8.584 6.761 1.00 0.00 C ATOM 450 OD1 ASP A 33 0.718 -9.788 6.642 1.00 0.00 O ATOM 451 OD2 ASP A 33 1.275 -7.700 7.220 1.00 0.00 O ATOM 0 H ASP A 33 0.595 -9.030 4.270 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.805 -9.730 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.665 -7.003 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.484 -8.126 7.122 1.00 0.00 H new ATOM 456 N LEU A 34 -1.800 -6.659 4.148 1.00 0.00 N ATOM 457 CA LEU A 34 -2.577 -5.590 3.490 1.00 0.00 C ATOM 458 C LEU A 34 -3.464 -6.192 2.411 1.00 0.00 C ATOM 459 O LEU A 34 -4.655 -6.162 2.593 1.00 0.00 O ATOM 460 CB LEU A 34 -1.562 -4.588 2.920 1.00 0.00 C ATOM 461 CG LEU A 34 -1.357 -3.268 3.717 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.805 -2.099 2.843 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.182 -3.120 4.981 1.00 0.00 C ATOM 0 H LEU A 34 -0.844 -6.400 4.391 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.240 -5.077 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.598 -5.090 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.872 -4.329 1.908 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.302 -3.284 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.668 -1.164 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.210 -2.078 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.858 -2.219 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.957 -2.163 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.242 -3.160 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.941 -3.930 5.670 1.00 0.00 H new ATOM 475 N HIS A 35 -2.901 -6.716 1.354 1.00 0.00 N ATOM 476 CA HIS A 35 -3.668 -7.333 0.228 1.00 0.00 C ATOM 477 C HIS A 35 -4.900 -8.103 0.661 1.00 0.00 C ATOM 478 O HIS A 35 -5.924 -8.010 0.024 1.00 0.00 O ATOM 479 CB HIS A 35 -2.714 -8.224 -0.507 1.00 0.00 C ATOM 480 CG HIS A 35 -3.332 -8.784 -1.789 1.00 0.00 C ATOM 481 ND1 HIS A 35 -2.791 -9.734 -2.464 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.484 -8.483 -2.498 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.522 -10.012 -3.498 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.585 -9.255 -3.557 1.00 0.00 N ATOM 0 H HIS A 35 -1.890 -6.742 1.220 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.057 -6.536 -0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.811 -7.665 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.413 -9.047 0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.198 -7.722 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.281 -10.776 -4.222 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.322 -9.262 -4.262 1.00 0.00 H new ATOM 492 N ASN A 36 -4.792 -8.846 1.722 1.00 0.00 N ATOM 493 CA ASN A 36 -5.980 -9.629 2.188 1.00 0.00 C ATOM 494 C ASN A 36 -6.766 -8.903 3.292 1.00 0.00 C ATOM 495 O ASN A 36 -7.924 -9.205 3.492 1.00 0.00 O ATOM 496 CB ASN A 36 -5.445 -10.998 2.659 1.00 0.00 C ATOM 497 CG ASN A 36 -4.758 -11.720 1.500 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.233 -12.799 1.646 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.710 -11.209 0.316 1.00 0.00 N ATOM 0 H ASN A 36 -3.948 -8.949 2.285 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.697 -9.752 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.741 -10.859 3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.265 -11.606 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.245 -11.714 -0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.137 -10.300 0.135 1.00 0.00 H new ATOM 506 N GLN A 37 -6.151 -7.965 3.960 1.00 0.00 N ATOM 507 CA GLN A 37 -6.839 -7.199 5.059 1.00 0.00 C ATOM 508 C GLN A 37 -7.778 -6.181 4.417 1.00 0.00 C ATOM 509 O GLN A 37 -8.907 -5.952 4.803 1.00 0.00 O ATOM 510 CB GLN A 37 -5.759 -6.496 5.830 1.00 0.00 C ATOM 511 CG GLN A 37 -4.889 -7.500 6.592 1.00 0.00 C ATOM 512 CD GLN A 37 -4.827 -7.110 8.039 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.768 -7.121 8.794 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.661 -6.737 8.438 1.00 0.00 N ATOM 0 H GLN A 37 -5.184 -7.687 3.793 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.419 -7.846 5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.138 -5.916 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.207 -5.791 6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.301 -8.504 6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.885 -7.524 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.876 -6.734 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.522 -6.445 9.405 1.00 0.00 H new ATOM 523 N ALA A 38 -7.228 -5.604 3.403 1.00 0.00 N ATOM 524 CA ALA A 38 -7.902 -4.575 2.593 1.00 0.00 C ATOM 525 C ALA A 38 -8.790 -5.301 1.554 1.00 0.00 C ATOM 526 O ALA A 38 -8.620 -5.097 0.370 1.00 0.00 O ATOM 527 CB ALA A 38 -6.730 -3.754 1.998 1.00 0.00 C ATOM 0 H ALA A 38 -6.282 -5.818 3.086 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.576 -3.903 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.127 -2.954 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.140 -3.323 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.098 -4.406 1.396 1.00 0.00 H new ATOM 533 N GLN A 39 -9.695 -6.125 2.033 1.00 0.00 N ATOM 534 CA GLN A 39 -10.613 -6.881 1.110 1.00 0.00 C ATOM 535 C GLN A 39 -12.122 -6.634 1.446 1.00 0.00 C ATOM 536 O GLN A 39 -12.956 -7.519 1.491 1.00 0.00 O ATOM 537 CB GLN A 39 -10.186 -8.390 1.218 1.00 0.00 C ATOM 538 CG GLN A 39 -10.857 -9.268 0.082 1.00 0.00 C ATOM 539 CD GLN A 39 -10.602 -8.672 -1.308 1.00 0.00 C ATOM 540 OE1 GLN A 39 -11.158 -7.650 -1.655 1.00 0.00 O ATOM 541 NE2 GLN A 39 -9.787 -9.220 -2.152 1.00 0.00 N ATOM 0 H GLN A 39 -9.840 -6.309 3.026 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.518 -6.536 0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.101 -8.468 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.469 -8.780 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.462 -10.283 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.930 -9.337 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.297 -10.080 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.635 -8.792 -3.065 1.00 0.00 H new ATOM 550 N SER A 40 -12.396 -5.378 1.672 1.00 0.00 N ATOM 551 CA SER A 40 -13.764 -4.837 2.019 1.00 0.00 C ATOM 552 C SER A 40 -14.156 -3.618 1.134 1.00 0.00 C ATOM 553 O SER A 40 -13.501 -3.278 0.171 1.00 0.00 O ATOM 554 CB SER A 40 -13.738 -4.432 3.518 1.00 0.00 C ATOM 555 OG SER A 40 -15.004 -3.839 3.840 1.00 0.00 O ATOM 0 H SER A 40 -11.683 -4.650 1.629 1.00 0.00 H new ATOM 0 HA SER A 40 -14.514 -5.605 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.556 -5.305 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.928 -3.728 3.708 1.00 0.00 H new ATOM 0 HG SER A 40 -15.011 -3.576 4.784 1.00 0.00 H new ATOM 561 N SER A 41 -15.248 -3.028 1.504 1.00 0.00 N ATOM 562 CA SER A 41 -15.900 -1.826 0.892 1.00 0.00 C ATOM 563 C SER A 41 -15.051 -0.980 -0.091 1.00 0.00 C ATOM 564 O SER A 41 -15.469 -0.765 -1.207 1.00 0.00 O ATOM 565 CB SER A 41 -16.390 -0.932 2.061 1.00 0.00 C ATOM 566 OG SER A 41 -16.918 -1.837 3.035 1.00 0.00 O ATOM 0 H SER A 41 -15.780 -3.372 2.303 1.00 0.00 H new ATOM 0 HA SER A 41 -16.700 -2.210 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.572 -0.343 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 41 -17.151 -0.228 1.725 1.00 0.00 H new ATOM 0 HG SER A 41 -17.246 -1.331 3.808 1.00 0.00 H new ATOM 572 N GLY A 42 -13.905 -0.526 0.343 1.00 0.00 N ATOM 573 CA GLY A 42 -13.007 0.309 -0.525 1.00 0.00 C ATOM 574 C GLY A 42 -11.746 0.626 0.259 1.00 0.00 C ATOM 575 O GLY A 42 -11.392 1.767 0.480 1.00 0.00 O ATOM 0 H GLY A 42 -13.542 -0.700 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.760 -0.227 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.512 1.229 -0.820 1.00 0.00 H new ATOM 579 N ASP A 43 -11.084 -0.414 0.674 1.00 0.00 N ATOM 580 CA ASP A 43 -9.820 -0.248 1.469 1.00 0.00 C ATOM 581 C ASP A 43 -8.679 0.091 0.530 1.00 0.00 C ATOM 582 O ASP A 43 -8.114 1.154 0.614 1.00 0.00 O ATOM 583 CB ASP A 43 -9.496 -1.546 2.194 1.00 0.00 C ATOM 584 CG ASP A 43 -10.761 -2.313 2.395 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.023 -3.035 1.454 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.361 -2.115 3.425 1.00 0.00 O ATOM 0 H ASP A 43 -11.359 -1.381 0.500 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.954 0.553 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.785 -2.135 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.026 -1.335 3.154 1.00 0.00 H new ATOM 591 N ARG A 44 -8.336 -0.792 -0.355 1.00 0.00 N ATOM 592 CA ARG A 44 -7.218 -0.470 -1.288 1.00 0.00 C ATOM 593 C ARG A 44 -7.400 0.932 -1.944 1.00 0.00 C ATOM 594 O ARG A 44 -6.484 1.723 -1.997 1.00 0.00 O ATOM 595 CB ARG A 44 -7.148 -1.549 -2.355 1.00 0.00 C ATOM 596 CG ARG A 44 -7.842 -2.865 -1.981 1.00 0.00 C ATOM 597 CD ARG A 44 -9.386 -2.734 -2.204 1.00 0.00 C ATOM 598 NE ARG A 44 -10.067 -3.596 -1.173 1.00 0.00 N ATOM 599 CZ ARG A 44 -10.599 -4.712 -1.491 1.00 0.00 C ATOM 600 NH1 ARG A 44 -9.888 -5.486 -2.185 1.00 0.00 N ATOM 601 NH2 ARG A 44 -11.769 -5.042 -1.131 1.00 0.00 N ATOM 0 H ARG A 44 -8.768 -1.708 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.286 -0.440 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.597 -1.165 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.101 -1.756 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.446 -3.680 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.636 -3.112 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.701 -1.695 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.657 -3.054 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.104 -3.282 -0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.946 -5.205 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.254 -6.394 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.327 -4.404 -0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.153 -5.945 -1.409 1.00 0.00 H new ATOM 615 N GLN A 45 -8.577 1.245 -2.439 1.00 0.00 N ATOM 616 CA GLN A 45 -8.802 2.572 -3.066 1.00 0.00 C ATOM 617 C GLN A 45 -8.715 3.674 -1.976 1.00 0.00 C ATOM 618 O GLN A 45 -8.599 4.848 -2.251 1.00 0.00 O ATOM 619 CB GLN A 45 -10.179 2.501 -3.780 1.00 0.00 C ATOM 620 CG GLN A 45 -10.181 1.279 -4.786 1.00 0.00 C ATOM 621 CD GLN A 45 -11.364 1.354 -5.752 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.429 1.867 -5.484 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.158 0.817 -6.908 1.00 0.00 N ATOM 0 H GLN A 45 -9.390 0.629 -2.431 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.045 2.828 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.977 2.385 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.372 3.430 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.249 1.269 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.225 0.345 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.256 0.389 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.897 0.821 -7.611 1.00 0.00 H new ATOM 632 N THR A 46 -8.769 3.280 -0.735 1.00 0.00 N ATOM 633 CA THR A 46 -8.662 4.275 0.395 1.00 0.00 C ATOM 634 C THR A 46 -7.128 4.471 0.420 1.00 0.00 C ATOM 635 O THR A 46 -6.627 5.581 0.482 1.00 0.00 O ATOM 636 CB THR A 46 -9.123 3.693 1.774 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.522 3.926 1.902 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.547 4.535 2.879 1.00 0.00 C ATOM 0 H THR A 46 -8.883 2.310 -0.442 1.00 0.00 H new ATOM 0 HA THR A 46 -9.277 5.163 0.250 1.00 0.00 H new ATOM 0 HB THR A 46 -8.831 2.644 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.011 3.310 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.863 4.136 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.459 4.519 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.901 5.561 2.777 1.00 0.00 H new ATOM 646 N VAL A 47 -6.438 3.353 0.378 1.00 0.00 N ATOM 647 CA VAL A 47 -4.949 3.392 0.381 1.00 0.00 C ATOM 648 C VAL A 47 -4.574 4.347 -0.775 1.00 0.00 C ATOM 649 O VAL A 47 -3.787 5.236 -0.598 1.00 0.00 O ATOM 650 CB VAL A 47 -4.375 1.977 0.123 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.416 1.929 -1.041 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.690 1.454 1.325 1.00 0.00 C ATOM 0 H VAL A 47 -6.847 2.419 0.342 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.546 3.728 1.337 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.235 1.353 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.050 0.910 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.929 2.247 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.575 2.595 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.297 0.459 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.870 2.119 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.398 1.398 2.152 1.00 0.00 H new ATOM 662 N CYS A 48 -5.143 4.109 -1.933 1.00 0.00 N ATOM 663 CA CYS A 48 -4.898 4.949 -3.154 1.00 0.00 C ATOM 664 C CYS A 48 -4.844 6.396 -2.750 1.00 0.00 C ATOM 665 O CYS A 48 -3.927 7.111 -3.084 1.00 0.00 O ATOM 666 CB CYS A 48 -6.013 4.737 -4.133 1.00 0.00 C ATOM 667 SG CYS A 48 -6.209 5.951 -5.454 1.00 0.00 S ATOM 0 H CYS A 48 -5.792 3.338 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.954 4.665 -3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.874 3.759 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.948 4.696 -3.574 1.00 0.00 H new ATOM 672 N ASN A 49 -5.857 6.795 -2.032 1.00 0.00 N ATOM 673 CA ASN A 49 -5.896 8.212 -1.562 1.00 0.00 C ATOM 674 C ASN A 49 -4.685 8.480 -0.673 1.00 0.00 C ATOM 675 O ASN A 49 -4.104 9.545 -0.772 1.00 0.00 O ATOM 676 CB ASN A 49 -7.214 8.406 -0.839 1.00 0.00 C ATOM 677 CG ASN A 49 -8.170 8.607 -1.988 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.294 9.682 -2.526 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.875 7.636 -2.455 1.00 0.00 N ATOM 0 H ASN A 49 -6.648 6.214 -1.753 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.841 8.925 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.479 7.540 -0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.191 9.267 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.502 7.794 -3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.807 6.709 -2.036 1.00 0.00 H new ATOM 686 N CYS A 50 -4.312 7.545 0.168 1.00 0.00 N ATOM 687 CA CYS A 50 -3.115 7.814 1.013 1.00 0.00 C ATOM 688 C CYS A 50 -1.956 7.942 -0.037 1.00 0.00 C ATOM 689 O CYS A 50 -1.250 8.918 -0.005 1.00 0.00 O ATOM 690 CB CYS A 50 -2.935 6.615 2.010 1.00 0.00 C ATOM 691 SG CYS A 50 -4.404 5.740 2.612 1.00 0.00 S ATOM 0 H CYS A 50 -4.767 6.642 0.301 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.167 8.707 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.290 5.881 1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.396 6.990 2.880 1.00 0.00 H new ATOM 696 N LEU A 51 -1.764 6.992 -0.935 1.00 0.00 N ATOM 697 CA LEU A 51 -0.677 7.061 -1.984 1.00 0.00 C ATOM 698 C LEU A 51 -0.662 8.484 -2.548 1.00 0.00 C ATOM 699 O LEU A 51 0.315 9.190 -2.481 1.00 0.00 O ATOM 700 CB LEU A 51 -0.971 6.056 -3.136 1.00 0.00 C ATOM 701 CG LEU A 51 -1.320 4.660 -2.590 1.00 0.00 C ATOM 702 CD1 LEU A 51 -1.451 3.658 -3.716 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.242 4.203 -1.630 1.00 0.00 C ATOM 0 H LEU A 51 -2.332 6.147 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 51 0.285 6.806 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.797 6.428 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.102 5.985 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.275 4.724 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.698 2.679 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.241 3.976 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.508 3.596 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.493 3.214 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.714 4.158 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.171 4.907 -0.801 1.00 0.00 H new ATOM 715 N LYS A 52 -1.791 8.836 -3.083 1.00 0.00 N ATOM 716 CA LYS A 52 -2.061 10.167 -3.698 1.00 0.00 C ATOM 717 C LYS A 52 -1.556 11.266 -2.770 1.00 0.00 C ATOM 718 O LYS A 52 -0.786 12.144 -3.109 1.00 0.00 O ATOM 719 CB LYS A 52 -3.579 10.276 -3.892 1.00 0.00 C ATOM 720 CG LYS A 52 -4.030 9.351 -5.024 1.00 0.00 C ATOM 721 CD LYS A 52 -3.628 9.958 -6.367 1.00 0.00 C ATOM 722 CE LYS A 52 -3.938 8.940 -7.420 1.00 0.00 C ATOM 723 NZ LYS A 52 -3.723 9.576 -8.741 1.00 0.00 N ATOM 0 H LYS A 52 -2.595 8.210 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.551 10.275 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.092 10.010 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.851 11.306 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.576 8.367 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.110 9.210 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.176 10.882 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.567 10.209 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.296 8.066 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.967 8.594 -7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.137 8.955 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.641 9.732 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.240 10.488 -8.613 1.00 0.00 H new ATOM 737 N GLY A 53 -2.022 11.170 -1.559 1.00 0.00 N ATOM 738 CA GLY A 53 -1.636 12.168 -0.529 1.00 0.00 C ATOM 739 C GLY A 53 -0.161 12.130 -0.262 1.00 0.00 C ATOM 740 O GLY A 53 0.441 13.168 -0.316 1.00 0.00 O ATOM 0 H GLY A 53 -2.657 10.439 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.922 13.166 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.180 11.970 0.394 1.00 0.00 H new ATOM 744 N ILE A 54 0.460 11.027 0.012 1.00 0.00 N ATOM 745 CA ILE A 54 1.931 11.087 0.267 1.00 0.00 C ATOM 746 C ILE A 54 2.634 11.645 -0.979 1.00 0.00 C ATOM 747 O ILE A 54 3.457 12.543 -0.897 1.00 0.00 O ATOM 748 CB ILE A 54 2.449 9.666 0.611 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.644 9.897 1.566 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.821 8.778 -0.609 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.630 8.747 1.618 1.00 0.00 C ATOM 0 H ILE A 54 0.033 10.103 0.072 1.00 0.00 H new ATOM 0 HA ILE A 54 2.145 11.744 1.110 1.00 0.00 H new ATOM 0 HB ILE A 54 1.650 9.084 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.172 10.799 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.262 10.079 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.171 7.807 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.943 8.641 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.610 9.262 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.436 8.990 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.120 7.845 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.044 8.577 0.624 1.00 0.00 H new ATOM 763 N ALA A 55 2.259 11.064 -2.100 1.00 0.00 N ATOM 764 CA ALA A 55 2.792 11.429 -3.452 1.00 0.00 C ATOM 765 C ALA A 55 2.856 12.940 -3.466 1.00 0.00 C ATOM 766 O ALA A 55 3.883 13.481 -3.808 1.00 0.00 O ATOM 767 CB ALA A 55 1.837 10.861 -4.505 1.00 0.00 C ATOM 0 H ALA A 55 1.569 10.313 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 55 3.780 11.024 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.202 11.113 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.784 9.777 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.844 11.288 -4.364 1.00 0.00 H new ATOM 773 N ARG A 56 1.753 13.545 -3.105 1.00 0.00 N ATOM 774 CA ARG A 56 1.599 15.037 -3.021 1.00 0.00 C ATOM 775 C ARG A 56 2.975 15.754 -2.947 1.00 0.00 C ATOM 776 O ARG A 56 3.243 16.680 -3.682 1.00 0.00 O ATOM 777 CB ARG A 56 0.751 15.285 -1.781 1.00 0.00 C ATOM 778 CG ARG A 56 0.276 16.707 -1.521 1.00 0.00 C ATOM 779 CD ARG A 56 -0.702 16.593 -0.330 1.00 0.00 C ATOM 780 NE ARG A 56 0.102 16.141 0.865 1.00 0.00 N ATOM 781 CZ ARG A 56 -0.096 15.037 1.516 1.00 0.00 C ATOM 782 NH1 ARG A 56 -1.285 14.697 1.794 1.00 0.00 N ATOM 783 NH2 ARG A 56 0.908 14.326 1.870 1.00 0.00 N ATOM 0 H ARG A 56 0.905 13.038 -2.851 1.00 0.00 H new ATOM 0 HA ARG A 56 1.122 15.445 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.128 14.644 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.323 14.959 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.112 17.365 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.218 17.124 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.180 17.552 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.497 15.880 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 56 0.857 16.749 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.065 15.288 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.462 13.832 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.854 14.629 1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.762 13.456 2.382 1.00 0.00 H new ATOM 797 N GLY A 57 3.790 15.276 -2.025 1.00 0.00 N ATOM 798 CA GLY A 57 5.178 15.817 -1.772 1.00 0.00 C ATOM 799 C GLY A 57 6.321 14.784 -1.520 1.00 0.00 C ATOM 800 O GLY A 57 7.461 15.123 -1.755 1.00 0.00 O ATOM 0 H GLY A 57 3.539 14.500 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.461 16.429 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.128 16.480 -0.908 1.00 0.00 H new ATOM 804 N ILE A 58 6.016 13.581 -1.080 1.00 0.00 N ATOM 805 CA ILE A 58 7.025 12.488 -0.775 1.00 0.00 C ATOM 806 C ILE A 58 8.508 12.791 -0.748 1.00 0.00 C ATOM 807 O ILE A 58 9.118 12.727 0.297 1.00 0.00 O ATOM 808 CB ILE A 58 6.954 11.216 -1.782 1.00 0.00 C ATOM 809 CG1 ILE A 58 5.782 10.293 -1.410 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.314 10.340 -1.791 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.096 8.846 -1.882 1.00 0.00 C ATOM 0 H ILE A 58 5.053 13.291 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 58 6.680 12.315 0.244 1.00 0.00 H new ATOM 0 HB ILE A 58 6.812 11.633 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.620 10.309 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.863 10.648 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.204 9.505 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.148 10.966 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.507 9.958 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.266 8.190 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.237 8.838 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.005 8.494 -1.395 1.00 0.00 H new ATOM 823 N HIS A 59 8.993 13.101 -1.921 1.00 0.00 N ATOM 824 CA HIS A 59 10.429 13.417 -2.219 1.00 0.00 C ATOM 825 C HIS A 59 10.556 13.286 -3.773 1.00 0.00 C ATOM 826 O HIS A 59 11.057 14.144 -4.465 1.00 0.00 O ATOM 827 CB HIS A 59 11.318 12.356 -1.491 1.00 0.00 C ATOM 828 CG HIS A 59 12.098 12.987 -0.335 1.00 0.00 C ATOM 829 ND1 HIS A 59 11.579 13.376 0.775 1.00 0.00 N ATOM 830 CD2 HIS A 59 13.439 13.284 -0.191 1.00 0.00 C ATOM 831 CE1 HIS A 59 12.489 13.870 1.554 1.00 0.00 C ATOM 832 NE2 HIS A 59 13.668 13.833 0.987 1.00 0.00 N ATOM 0 H HIS A 59 8.402 13.152 -2.751 1.00 0.00 H new ATOM 0 HA HIS A 59 10.742 14.406 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.690 11.550 -1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.014 11.911 -2.202 1.00 0.00 H new ATOM 0 HD1 HIS A 59 10.589 13.306 1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.195 13.093 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.299 14.261 2.543 1.00 0.00 H new ATOM 840 N ASN A 60 10.066 12.156 -4.215 1.00 0.00 N ATOM 841 CA ASN A 60 9.996 11.658 -5.637 1.00 0.00 C ATOM 842 C ASN A 60 9.656 10.150 -5.506 1.00 0.00 C ATOM 843 O ASN A 60 9.657 9.635 -4.405 1.00 0.00 O ATOM 844 CB ASN A 60 11.372 11.801 -6.366 1.00 0.00 C ATOM 845 CG ASN A 60 11.261 11.121 -7.733 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.587 11.569 -8.629 1.00 0.00 O ATOM 847 ND2 ASN A 60 11.886 10.011 -7.952 1.00 0.00 N ATOM 0 H ASN A 60 9.664 11.479 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 60 9.267 12.225 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.632 12.853 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.165 11.341 -5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.799 9.547 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.466 9.599 -7.221 1.00 0.00 H new ATOM 854 N LEU A 61 9.370 9.466 -6.577 1.00 0.00 N ATOM 855 CA LEU A 61 9.042 7.997 -6.484 1.00 0.00 C ATOM 856 C LEU A 61 9.945 7.175 -7.432 1.00 0.00 C ATOM 857 O LEU A 61 10.360 7.697 -8.451 1.00 0.00 O ATOM 858 CB LEU A 61 7.549 7.843 -6.846 1.00 0.00 C ATOM 859 CG LEU A 61 7.114 6.360 -6.894 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.317 5.724 -5.527 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.616 6.297 -7.216 1.00 0.00 C ATOM 0 H LEU A 61 9.346 9.853 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 61 9.225 7.618 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.942 8.375 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.361 8.307 -7.814 1.00 0.00 H new ATOM 0 HG LEU A 61 7.703 5.837 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.010 4.679 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.370 5.784 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.717 6.253 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.295 5.256 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.055 6.822 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.431 6.768 -8.181 1.00 0.00 H new ATOM 873 N ASN A 62 10.243 5.933 -7.117 1.00 0.00 N ATOM 874 CA ASN A 62 11.114 5.149 -8.044 1.00 0.00 C ATOM 875 C ASN A 62 10.289 3.940 -8.474 1.00 0.00 C ATOM 876 O ASN A 62 10.657 2.802 -8.264 1.00 0.00 O ATOM 877 CB ASN A 62 12.386 4.726 -7.291 1.00 0.00 C ATOM 878 CG ASN A 62 13.359 4.238 -8.354 1.00 0.00 C ATOM 879 OD1 ASN A 62 14.129 4.980 -8.917 1.00 0.00 O ATOM 880 ND2 ASN A 62 13.358 2.988 -8.682 1.00 0.00 N ATOM 0 H ASN A 62 9.929 5.442 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 62 11.427 5.721 -8.917 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.805 5.563 -6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.169 3.938 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.997 2.649 -9.401 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.718 2.341 -8.222 1.00 0.00 H new ATOM 887 N LEU A 63 9.166 4.261 -9.058 1.00 0.00 N ATOM 888 CA LEU A 63 8.171 3.257 -9.575 1.00 0.00 C ATOM 889 C LEU A 63 8.797 1.880 -9.817 1.00 0.00 C ATOM 890 O LEU A 63 8.353 0.904 -9.255 1.00 0.00 O ATOM 891 CB LEU A 63 7.564 3.819 -10.896 1.00 0.00 C ATOM 892 CG LEU A 63 6.801 5.136 -10.657 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.570 5.773 -12.021 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.417 4.799 -10.087 1.00 0.00 C ATOM 0 H LEU A 63 8.879 5.228 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 63 7.397 3.111 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.361 3.986 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.889 3.081 -11.329 1.00 0.00 H new ATOM 0 HG LEU A 63 7.356 5.788 -9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.030 6.712 -11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.530 5.967 -12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.984 5.097 -12.644 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.862 5.720 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.872 4.177 -10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.532 4.260 -9.147 1.00 0.00 H new ATOM 906 N ASN A 64 9.796 1.890 -10.657 1.00 0.00 N ATOM 907 CA ASN A 64 10.583 0.673 -11.055 1.00 0.00 C ATOM 908 C ASN A 64 10.783 -0.369 -9.927 1.00 0.00 C ATOM 909 O ASN A 64 10.846 -1.555 -10.161 1.00 0.00 O ATOM 910 CB ASN A 64 11.940 1.178 -11.576 1.00 0.00 C ATOM 911 CG ASN A 64 11.713 2.259 -12.625 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.207 3.324 -12.349 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.060 2.053 -13.851 1.00 0.00 N ATOM 0 H ASN A 64 10.121 2.743 -11.113 1.00 0.00 H new ATOM 0 HA ASN A 64 10.017 0.133 -11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.533 1.575 -10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.506 0.352 -12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.905 2.776 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.489 1.167 -14.118 1.00 0.00 H new ATOM 920 N ASN A 65 10.877 0.116 -8.725 1.00 0.00 N ATOM 921 CA ASN A 65 11.075 -0.753 -7.531 1.00 0.00 C ATOM 922 C ASN A 65 9.729 -1.264 -7.032 1.00 0.00 C ATOM 923 O ASN A 65 9.617 -2.440 -6.739 1.00 0.00 O ATOM 924 CB ASN A 65 11.830 0.151 -6.545 1.00 0.00 C ATOM 925 CG ASN A 65 12.433 -0.574 -5.376 1.00 0.00 C ATOM 926 OD1 ASN A 65 13.138 -1.542 -5.531 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.201 -0.145 -4.182 1.00 0.00 N ATOM 0 H ASN A 65 10.823 1.112 -8.512 1.00 0.00 H new ATOM 0 HA ASN A 65 11.646 -1.663 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.623 0.672 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.145 0.912 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.612 -0.623 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.607 0.672 -4.040 1.00 0.00 H new ATOM 934 N ALA A 66 8.760 -0.386 -6.954 1.00 0.00 N ATOM 935 CA ALA A 66 7.392 -0.794 -6.477 1.00 0.00 C ATOM 936 C ALA A 66 6.880 -1.864 -7.477 1.00 0.00 C ATOM 937 O ALA A 66 6.360 -2.911 -7.137 1.00 0.00 O ATOM 938 CB ALA A 66 6.506 0.448 -6.507 1.00 0.00 C ATOM 0 H ALA A 66 8.853 0.600 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 66 7.394 -1.201 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.504 0.188 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.926 1.210 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.455 0.834 -7.525 1.00 0.00 H new ATOM 944 N ALA A 67 7.087 -1.465 -8.704 1.00 0.00 N ATOM 945 CA ALA A 67 6.751 -2.194 -9.960 1.00 0.00 C ATOM 946 C ALA A 67 6.868 -3.719 -9.879 1.00 0.00 C ATOM 947 O ALA A 67 6.050 -4.444 -10.405 1.00 0.00 O ATOM 948 CB ALA A 67 7.674 -1.622 -11.052 1.00 0.00 C ATOM 0 H ALA A 67 7.524 -0.564 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 67 5.695 -2.036 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.471 -2.122 -11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.491 -0.553 -11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.714 -1.786 -10.771 1.00 0.00 H new ATOM 954 N SER A 68 7.894 -4.151 -9.202 1.00 0.00 N ATOM 955 CA SER A 68 8.150 -5.617 -9.051 1.00 0.00 C ATOM 956 C SER A 68 7.745 -6.215 -7.702 1.00 0.00 C ATOM 957 O SER A 68 7.740 -7.437 -7.558 1.00 0.00 O ATOM 958 CB SER A 68 9.646 -5.795 -9.326 1.00 0.00 C ATOM 959 OG SER A 68 9.887 -7.193 -9.280 1.00 0.00 O ATOM 0 H SER A 68 8.575 -3.548 -8.741 1.00 0.00 H new ATOM 0 HA SER A 68 7.521 -6.167 -9.750 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.916 -5.384 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.245 -5.271 -8.581 1.00 0.00 H new ATOM 0 HG SER A 68 9.166 -7.633 -8.784 1.00 0.00 H new ATOM 965 N ILE A 69 7.399 -5.351 -6.769 1.00 0.00 N ATOM 966 CA ILE A 69 6.999 -5.890 -5.422 1.00 0.00 C ATOM 967 C ILE A 69 5.951 -7.023 -5.585 1.00 0.00 C ATOM 968 O ILE A 69 6.171 -8.093 -5.064 1.00 0.00 O ATOM 969 CB ILE A 69 6.394 -4.758 -4.485 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.426 -3.801 -3.804 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.566 -5.418 -3.345 1.00 0.00 C ATOM 972 CD1 ILE A 69 8.473 -4.553 -2.940 1.00 0.00 C ATOM 0 H ILE A 69 7.376 -4.337 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 69 7.903 -6.279 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 69 5.799 -4.145 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.943 -3.227 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.892 -3.087 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.150 -4.643 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.755 -6.004 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.212 -6.070 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.161 -3.834 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.964 -5.106 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.031 -5.248 -3.568 1.00 0.00 H new ATOM 984 N PRO A 70 4.857 -6.808 -6.290 1.00 0.00 N ATOM 985 CA PRO A 70 3.669 -7.715 -6.213 1.00 0.00 C ATOM 986 C PRO A 70 3.994 -9.193 -6.349 1.00 0.00 C ATOM 987 O PRO A 70 3.615 -10.024 -5.546 1.00 0.00 O ATOM 988 CB PRO A 70 2.746 -7.224 -7.327 1.00 0.00 C ATOM 989 CG PRO A 70 3.103 -5.728 -7.508 1.00 0.00 C ATOM 990 CD PRO A 70 4.624 -5.684 -7.264 1.00 0.00 C ATOM 0 HA PRO A 70 3.211 -7.664 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.907 -7.783 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.698 -7.350 -7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.847 -5.373 -8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.565 -5.099 -6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.183 -5.831 -8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.937 -4.725 -6.852 1.00 0.00 H new ATOM 998 N SER A 71 4.715 -9.461 -7.384 1.00 0.00 N ATOM 999 CA SER A 71 5.097 -10.880 -7.651 1.00 0.00 C ATOM 1000 C SER A 71 6.267 -11.262 -6.761 1.00 0.00 C ATOM 1001 O SER A 71 6.256 -12.301 -6.131 1.00 0.00 O ATOM 1002 CB SER A 71 5.451 -11.011 -9.135 1.00 0.00 C ATOM 1003 OG SER A 71 5.502 -12.425 -9.271 1.00 0.00 O ATOM 0 H SER A 71 5.059 -8.776 -8.057 1.00 0.00 H new ATOM 0 HA SER A 71 4.273 -11.557 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.698 -10.560 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.403 -10.538 -9.377 1.00 0.00 H new ATOM 0 HG SER A 71 5.723 -12.657 -10.197 1.00 0.00 H new ATOM 1009 N LYS A 72 7.252 -10.396 -6.701 1.00 0.00 N ATOM 1010 CA LYS A 72 8.443 -10.690 -5.852 1.00 0.00 C ATOM 1011 C LYS A 72 8.001 -11.056 -4.407 1.00 0.00 C ATOM 1012 O LYS A 72 8.639 -11.826 -3.718 1.00 0.00 O ATOM 1013 CB LYS A 72 9.291 -9.427 -5.934 1.00 0.00 C ATOM 1014 CG LYS A 72 10.589 -9.578 -5.126 1.00 0.00 C ATOM 1015 CD LYS A 72 10.763 -8.309 -4.248 1.00 0.00 C ATOM 1016 CE LYS A 72 9.618 -8.055 -3.272 1.00 0.00 C ATOM 1017 NZ LYS A 72 9.159 -9.344 -2.697 1.00 0.00 N ATOM 0 H LYS A 72 7.280 -9.507 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 72 9.018 -11.554 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.530 -9.213 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.721 -8.578 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.546 -10.470 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.441 -9.698 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.692 -8.397 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.867 -7.442 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.947 -7.387 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.793 -7.559 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.305 -9.185 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.942 -10.009 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.908 -9.743 -2.096 1.00 0.00 H new ATOM 1031 N CYS A 73 6.924 -10.438 -3.991 1.00 0.00 N ATOM 1032 CA CYS A 73 6.291 -10.629 -2.636 1.00 0.00 C ATOM 1033 C CYS A 73 5.035 -11.519 -2.631 1.00 0.00 C ATOM 1034 O CYS A 73 4.322 -11.524 -1.651 1.00 0.00 O ATOM 1035 CB CYS A 73 5.904 -9.240 -2.060 1.00 0.00 C ATOM 1036 SG CYS A 73 7.231 -8.304 -1.260 1.00 0.00 S ATOM 0 H CYS A 73 6.424 -9.765 -4.571 1.00 0.00 H new ATOM 0 HA CYS A 73 7.037 -11.142 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.499 -8.634 -2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.101 -9.382 -1.336 1.00 0.00 H new ATOM 1041 N ASN A 74 4.789 -12.242 -3.686 1.00 0.00 N ATOM 1042 CA ASN A 74 3.586 -13.146 -3.786 1.00 0.00 C ATOM 1043 C ASN A 74 2.303 -12.619 -3.091 1.00 0.00 C ATOM 1044 O ASN A 74 1.739 -13.170 -2.169 1.00 0.00 O ATOM 1045 CB ASN A 74 3.974 -14.559 -3.214 1.00 0.00 C ATOM 1046 CG ASN A 74 2.719 -15.439 -3.081 1.00 0.00 C ATOM 1047 OD1 ASN A 74 1.796 -15.387 -3.867 1.00 0.00 O ATOM 1048 ND2 ASN A 74 2.640 -16.268 -2.094 1.00 0.00 N ATOM 0 H ASN A 74 5.385 -12.251 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 74 3.324 -13.195 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.697 -15.040 -3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.454 -14.447 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.816 -16.859 -1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.402 -16.331 -1.419 1.00 0.00 H new ATOM 1055 N VAL A 75 1.913 -11.488 -3.588 1.00 0.00 N ATOM 1056 CA VAL A 75 0.689 -10.754 -3.132 1.00 0.00 C ATOM 1057 C VAL A 75 -0.023 -10.624 -4.505 1.00 0.00 C ATOM 1058 O VAL A 75 -0.152 -9.581 -5.107 1.00 0.00 O ATOM 1059 CB VAL A 75 1.147 -9.383 -2.469 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.317 -8.864 -3.240 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.110 -8.282 -2.493 1.00 0.00 C ATOM 0 H VAL A 75 2.417 -11.009 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 75 0.052 -11.204 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 75 1.357 -9.617 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.651 -7.922 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.129 -9.590 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.026 -8.701 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.516 -7.389 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.156 -8.055 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.779 -8.608 -1.953 1.00 0.00 H new ATOM 1071 N ASN A 76 -0.439 -11.768 -4.979 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.165 -11.924 -6.296 1.00 0.00 C ATOM 1073 C ASN A 76 -2.151 -10.807 -6.807 1.00 0.00 C ATOM 1074 O ASN A 76 -3.349 -11.013 -6.857 1.00 0.00 O ATOM 1075 CB ASN A 76 -1.875 -13.322 -6.200 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.504 -13.553 -4.825 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.470 -12.949 -4.423 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.010 -14.428 -4.013 1.00 0.00 N ATOM 0 H ASN A 76 -0.302 -12.651 -4.487 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.404 -11.825 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.646 -13.390 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.151 -14.111 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.436 -14.572 -3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.194 -14.975 -4.287 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.641 -9.660 -7.183 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.512 -8.520 -7.690 1.00 0.00 C ATOM 1087 C VAL A 77 -2.322 -8.081 -9.183 1.00 0.00 C ATOM 1088 O VAL A 77 -1.407 -8.528 -9.847 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.274 -7.259 -6.831 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.548 -7.534 -5.371 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -0.792 -6.829 -6.968 1.00 0.00 C ATOM 0 H VAL A 77 -0.643 -9.449 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.518 -8.932 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.948 -6.477 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.372 -6.628 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.585 -7.848 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.885 -8.325 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.614 -5.939 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.146 -7.636 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.572 -6.609 -8.013 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.214 -7.218 -9.657 1.00 0.00 N ATOM 1102 CA PRO A 78 -2.979 -6.215 -10.763 1.00 0.00 C ATOM 1103 C PRO A 78 -2.693 -4.732 -10.306 1.00 0.00 C ATOM 1104 O PRO A 78 -2.377 -3.859 -11.091 1.00 0.00 O ATOM 1105 CB PRO A 78 -4.252 -6.382 -11.555 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.326 -6.414 -10.412 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.641 -7.145 -9.208 1.00 0.00 C ATOM 0 HA PRO A 78 -2.061 -6.401 -11.320 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.415 -5.557 -12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.252 -7.299 -12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.633 -5.406 -10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.223 -6.943 -10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.748 -6.587 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.066 -8.134 -9.037 1.00 0.00 H new ATOM 1115 N TYR A 79 -2.839 -4.554 -9.026 1.00 0.00 N ATOM 1116 CA TYR A 79 -2.656 -3.284 -8.242 1.00 0.00 C ATOM 1117 C TYR A 79 -1.952 -2.038 -8.838 1.00 0.00 C ATOM 1118 O TYR A 79 -0.830 -1.732 -8.490 1.00 0.00 O ATOM 1119 CB TYR A 79 -1.962 -3.707 -6.920 1.00 0.00 C ATOM 1120 CG TYR A 79 -2.195 -2.714 -5.804 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -3.350 -2.855 -5.072 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.313 -1.679 -5.510 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -3.618 -1.992 -4.093 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -1.606 -0.792 -4.486 1.00 0.00 C ATOM 1125 CZ TYR A 79 -2.778 -0.971 -3.788 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.182 -0.142 -2.784 1.00 0.00 O ATOM 0 H TYR A 79 -3.110 -5.329 -8.421 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.665 -2.878 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -2.333 -4.686 -6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.891 -3.811 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.036 -3.660 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.402 -1.567 -6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.530 -2.108 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.933 0.017 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.797 -0.622 -2.191 1.00 0.00 H new ATOM 1136 N THR A 80 -2.690 -1.384 -9.698 1.00 0.00 N ATOM 1137 CA THR A 80 -2.331 -0.125 -10.463 1.00 0.00 C ATOM 1138 C THR A 80 -0.863 0.284 -10.691 1.00 0.00 C ATOM 1139 O THR A 80 -0.546 0.635 -11.807 1.00 0.00 O ATOM 1140 CB THR A 80 -3.030 1.092 -9.795 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.449 0.965 -9.877 1.00 0.00 O ATOM 1142 CG2 THR A 80 -2.769 2.328 -10.649 1.00 0.00 C ATOM 0 H THR A 80 -3.631 -1.705 -9.928 1.00 0.00 H new ATOM 0 HA THR A 80 -2.669 -0.402 -11.462 1.00 0.00 H new ATOM 0 HB THR A 80 -2.664 1.152 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.816 1.718 -10.386 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.253 3.193 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.695 2.505 -10.714 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.172 2.171 -11.649 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.038 0.262 -9.681 1.00 0.00 N ATOM 1151 CA ILE A 81 1.433 0.634 -9.775 1.00 0.00 C ATOM 1152 C ILE A 81 1.894 1.486 -11.000 1.00 0.00 C ATOM 1153 O ILE A 81 2.672 1.124 -11.858 1.00 0.00 O ATOM 1154 CB ILE A 81 2.082 -0.787 -9.615 1.00 0.00 C ATOM 1155 CG1 ILE A 81 2.066 -1.137 -8.102 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.567 -0.894 -10.087 1.00 0.00 C ATOM 1157 CD1 ILE A 81 3.110 -0.311 -7.318 1.00 0.00 C ATOM 0 H ILE A 81 -0.325 -0.011 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 81 1.745 1.362 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 81 1.500 -1.461 -10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.072 -0.950 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.269 -2.200 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.924 -1.913 -9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.632 -0.640 -11.145 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.183 -0.204 -9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.071 -0.582 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.106 -0.518 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.891 0.751 -7.428 1.00 0.00 H new ATOM 1169 N SER A 82 1.342 2.667 -10.973 1.00 0.00 N ATOM 1170 CA SER A 82 1.572 3.741 -12.004 1.00 0.00 C ATOM 1171 C SER A 82 2.082 5.044 -11.310 1.00 0.00 C ATOM 1172 O SER A 82 2.008 5.104 -10.096 1.00 0.00 O ATOM 1173 CB SER A 82 0.225 3.953 -12.718 1.00 0.00 C ATOM 1174 OG SER A 82 0.043 2.759 -13.480 1.00 0.00 O ATOM 0 H SER A 82 0.700 2.954 -10.234 1.00 0.00 H new ATOM 0 HA SER A 82 2.336 3.459 -12.728 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.586 4.098 -12.004 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.248 4.835 -13.358 1.00 0.00 H new ATOM 0 HG SER A 82 -0.210 2.025 -12.882 1.00 0.00 H new ATOM 1180 N PRO A 83 2.571 6.038 -12.042 1.00 0.00 N ATOM 1181 CA PRO A 83 3.154 7.306 -11.462 1.00 0.00 C ATOM 1182 C PRO A 83 2.556 7.814 -10.128 1.00 0.00 C ATOM 1183 O PRO A 83 3.210 7.765 -9.103 1.00 0.00 O ATOM 1184 CB PRO A 83 3.024 8.276 -12.651 1.00 0.00 C ATOM 1185 CG PRO A 83 3.429 7.350 -13.827 1.00 0.00 C ATOM 1186 CD PRO A 83 2.618 6.063 -13.541 1.00 0.00 C ATOM 0 HA PRO A 83 4.176 7.164 -11.111 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.011 8.663 -12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.686 9.137 -12.556 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.171 7.785 -14.792 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.502 7.158 -13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.620 6.106 -13.978 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.106 5.177 -13.947 1.00 0.00 H new ATOM 1194 N ASP A 84 1.341 8.287 -10.173 1.00 0.00 N ATOM 1195 CA ASP A 84 0.642 8.800 -8.948 1.00 0.00 C ATOM 1196 C ASP A 84 -0.502 7.785 -8.759 1.00 0.00 C ATOM 1197 O ASP A 84 -1.671 8.089 -8.753 1.00 0.00 O ATOM 1198 CB ASP A 84 0.138 10.243 -9.251 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.644 10.853 -8.086 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.168 10.751 -6.973 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.693 11.397 -8.391 1.00 0.00 O ATOM 0 H ASP A 84 0.785 8.343 -11.027 1.00 0.00 H new ATOM 0 HA ASP A 84 1.251 8.876 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.991 10.880 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.496 10.223 -10.138 1.00 0.00 H new ATOM 1206 N ILE A 85 -0.080 6.559 -8.640 1.00 0.00 N ATOM 1207 CA ILE A 85 -0.981 5.377 -8.446 1.00 0.00 C ATOM 1208 C ILE A 85 -2.427 5.655 -7.955 1.00 0.00 C ATOM 1209 O ILE A 85 -2.703 5.973 -6.812 1.00 0.00 O ATOM 1210 CB ILE A 85 -0.227 4.399 -7.488 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -1.182 3.214 -7.166 1.00 0.00 C ATOM 1212 CG2 ILE A 85 0.231 5.137 -6.182 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -0.397 1.985 -6.621 1.00 0.00 C ATOM 0 H ILE A 85 0.909 6.311 -8.671 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.169 4.955 -9.433 1.00 0.00 H new ATOM 0 HB ILE A 85 0.677 4.023 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.922 3.530 -6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.728 2.930 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.753 4.435 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.900 5.957 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.642 5.533 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.093 1.175 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.325 1.654 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.128 2.264 -5.707 1.00 0.00 H new ATOM 1225 N ASP A 86 -3.319 5.505 -8.894 1.00 0.00 N ATOM 1226 CA ASP A 86 -4.780 5.727 -8.656 1.00 0.00 C ATOM 1227 C ASP A 86 -5.593 4.439 -8.414 1.00 0.00 C ATOM 1228 O ASP A 86 -5.249 3.343 -8.809 1.00 0.00 O ATOM 1229 CB ASP A 86 -5.375 6.487 -9.892 1.00 0.00 C ATOM 1230 CG ASP A 86 -4.286 7.025 -10.817 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -3.681 6.186 -11.472 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -4.140 8.235 -10.796 1.00 0.00 O ATOM 0 H ASP A 86 -3.091 5.229 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.861 6.307 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.025 5.814 -10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.995 7.313 -9.544 1.00 0.00 H new ATOM 1237 N CYS A 87 -6.694 4.645 -7.765 1.00 0.00 N ATOM 1238 CA CYS A 87 -7.643 3.561 -7.415 1.00 0.00 C ATOM 1239 C CYS A 87 -8.466 3.201 -8.674 1.00 0.00 C ATOM 1240 O CYS A 87 -9.660 3.402 -8.751 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.455 4.154 -6.249 1.00 0.00 C ATOM 1242 SG CYS A 87 -8.199 5.888 -5.788 1.00 0.00 S ATOM 0 H CYS A 87 -6.990 5.568 -7.447 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.195 2.618 -7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.511 4.030 -6.488 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.254 3.546 -5.367 1.00 0.00 H new ATOM 1247 N SER A 88 -7.749 2.658 -9.623 1.00 0.00 N ATOM 1248 CA SER A 88 -8.343 2.238 -10.935 1.00 0.00 C ATOM 1249 C SER A 88 -8.341 0.735 -11.205 1.00 0.00 C ATOM 1250 O SER A 88 -9.341 0.204 -11.643 1.00 0.00 O ATOM 1251 CB SER A 88 -7.574 2.944 -12.058 1.00 0.00 C ATOM 1252 OG SER A 88 -8.019 2.320 -13.261 1.00 0.00 O ATOM 0 H SER A 88 -6.747 2.482 -9.544 1.00 0.00 H new ATOM 0 HA SER A 88 -9.394 2.523 -10.894 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.784 4.014 -12.068 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.497 2.831 -11.930 1.00 0.00 H new ATOM 0 HG SER A 88 -7.565 2.727 -14.028 1.00 0.00 H new ATOM 1258 N ARG A 89 -7.238 0.077 -10.966 1.00 0.00 N ATOM 1259 CA ARG A 89 -7.146 -1.387 -11.201 1.00 0.00 C ATOM 1260 C ARG A 89 -6.488 -2.134 -10.021 1.00 0.00 C ATOM 1261 O ARG A 89 -5.347 -2.550 -10.049 1.00 0.00 O ATOM 1262 CB ARG A 89 -6.379 -1.585 -12.535 1.00 0.00 C ATOM 1263 CG ARG A 89 -5.045 -0.837 -12.517 1.00 0.00 C ATOM 1264 CD ARG A 89 -4.308 -1.070 -13.826 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.206 -0.563 -14.916 1.00 0.00 N ATOM 1266 CZ ARG A 89 -5.429 -1.201 -16.005 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -5.750 -2.435 -15.984 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -5.313 -0.532 -17.076 1.00 0.00 N ATOM 0 H ARG A 89 -6.382 0.504 -10.611 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.143 -1.821 -11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.202 -2.647 -12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.989 -1.229 -13.365 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.217 0.229 -12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.436 -1.180 -11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.354 -0.543 -13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.089 -2.129 -13.965 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.664 0.339 -14.783 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.832 -2.926 -15.093 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.925 -2.931 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.056 0.454 -17.036 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.477 -0.980 -17.978 1.00 0.00 H new ATOM 1282 N ILE A 90 -7.264 -2.232 -8.978 1.00 0.00 N ATOM 1283 CA ILE A 90 -6.838 -2.940 -7.731 1.00 0.00 C ATOM 1284 C ILE A 90 -7.878 -4.053 -7.372 1.00 0.00 C ATOM 1285 O ILE A 90 -8.999 -4.014 -7.842 1.00 0.00 O ATOM 1286 CB ILE A 90 -6.714 -1.867 -6.658 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -5.413 -1.046 -6.911 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -6.702 -2.562 -5.326 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.120 0.048 -5.892 1.00 0.00 C ATOM 0 H ILE A 90 -8.205 -1.840 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.883 -3.454 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.548 -1.165 -6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.568 -1.734 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.478 -0.590 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.614 -1.822 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.628 -3.122 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.855 -3.246 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.194 0.557 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.940 0.766 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.016 -0.396 -4.902 1.00 0.00 H new ATOM 1301 N TYR A 91 -7.478 -5.005 -6.562 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.398 -6.123 -6.153 1.00 0.00 C ATOM 1303 C TYR A 91 -8.507 -6.240 -4.615 1.00 0.00 C ATOM 1304 O TYR A 91 -9.095 -7.202 -4.143 1.00 0.00 O ATOM 1305 CB TYR A 91 -7.862 -7.450 -6.772 1.00 0.00 C ATOM 1306 CG TYR A 91 -8.514 -7.691 -8.136 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.367 -6.771 -9.145 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -9.260 -8.831 -8.368 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -8.959 -6.987 -10.374 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -9.853 -9.044 -9.601 1.00 0.00 C ATOM 1311 CZ TYR A 91 -9.699 -8.117 -10.606 1.00 0.00 C ATOM 1312 OH TYR A 91 -10.278 -8.298 -11.844 1.00 0.00 O ATOM 1313 OXT TYR A 91 -7.995 -5.343 -3.971 1.00 0.00 O ATOM 0 H TYR A 91 -6.542 -5.058 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.402 -5.915 -6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.779 -7.399 -6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -8.076 -8.285 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.787 -5.876 -8.977 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.381 -9.561 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.837 -6.257 -11.161 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.436 -9.937 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.769 -9.146 -11.855 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 -2.369 9.893 10.049 1.00 0.00 N HETATM 1325 C2A COA A 92 -2.133 11.105 9.540 1.00 0.00 C HETATM 1326 N3A COA A 92 -0.962 11.606 9.148 1.00 0.00 N HETATM 1327 C4A COA A 92 0.059 10.723 9.316 1.00 0.00 C HETATM 1328 C5A COA A 92 -0.039 9.452 9.825 1.00 0.00 C HETATM 1329 C6A COA A 92 -1.333 9.047 10.202 1.00 0.00 C HETATM 1330 N6A COA A 92 -1.585 7.847 10.696 1.00 0.00 N HETATM 1331 N7A COA A 92 1.193 8.817 9.825 1.00 0.00 N HETATM 1332 C8A COA A 92 1.990 9.717 9.314 1.00 0.00 C HETATM 1333 N9A COA A 92 1.375 10.906 8.983 1.00 0.00 N HETATM 1334 C1B COA A 92 1.967 12.140 8.386 1.00 0.00 C HETATM 1335 C2B COA A 92 3.127 11.765 7.473 1.00 0.00 C HETATM 1336 O2B COA A 92 4.339 11.948 8.227 1.00 0.00 O HETATM 1337 C3B COA A 92 3.028 12.706 6.285 1.00 0.00 C HETATM 1338 O3B COA A 92 3.885 13.897 6.483 1.00 0.00 O HETATM 1339 P3B COA A 92 5.415 13.926 5.881 1.00 0.00 P HETATM 1340 O7A COA A 92 5.676 15.328 5.467 1.00 0.00 O HETATM 1341 O8A COA A 92 5.298 12.964 4.772 1.00 0.00 O HETATM 1342 O9A COA A 92 6.200 13.453 7.039 1.00 0.00 O HETATM 1343 C4B COA A 92 1.524 13.073 6.247 1.00 0.00 C HETATM 1344 O4B COA A 92 0.998 12.826 7.567 1.00 0.00 O HETATM 1345 C5B COA A 92 0.812 12.189 5.177 1.00 0.00 C HETATM 1346 O5B COA A 92 -0.607 12.408 4.906 1.00 0.00 O HETATM 1347 P1A COA A 92 -1.253 11.807 3.544 1.00 0.00 P HETATM 1348 O1A COA A 92 -2.426 12.639 3.196 1.00 0.00 O HETATM 1349 O2A COA A 92 -0.134 11.860 2.575 1.00 0.00 O HETATM 1350 O3A COA A 92 -1.664 10.297 3.730 1.00 0.00 O HETATM 1351 P2A COA A 92 -3.065 10.006 4.362 1.00 0.00 P HETATM 1352 O4A COA A 92 -3.355 11.024 5.388 1.00 0.00 O HETATM 1353 O5A COA A 92 -4.038 9.719 3.282 1.00 0.00 O HETATM 1354 O6A COA A 92 -2.738 8.648 5.180 1.00 0.00 O HETATM 1355 CBP COA A 92 -0.490 7.759 5.974 1.00 0.00 C HETATM 1356 CCP COA A 92 -1.819 8.582 6.281 1.00 0.00 C HETATM 1357 CDP COA A 92 0.036 8.110 4.610 1.00 0.00 C HETATM 1358 CEP COA A 92 -0.730 6.230 5.949 1.00 0.00 C HETATM 1359 CAP COA A 92 0.558 8.109 7.055 1.00 0.00 C HETATM 1360 OAP COA A 92 0.689 9.515 6.901 1.00 0.00 O HETATM 1361 C9P COA A 92 1.951 7.419 7.008 1.00 0.00 C HETATM 1362 O9P COA A 92 2.390 6.860 7.997 1.00 0.00 O HETATM 1363 N8P COA A 92 2.576 7.501 5.862 1.00 0.00 N HETATM 1364 C7P COA A 92 3.930 6.935 5.529 1.00 0.00 C HETATM 1365 C6P COA A 92 3.745 5.629 4.689 1.00 0.00 C HETATM 1366 C5P COA A 92 2.962 5.759 3.378 1.00 0.00 C HETATM 1367 O5P COA A 92 2.470 6.813 3.046 1.00 0.00 O HETATM 1368 N4P COA A 92 2.871 4.674 2.649 1.00 0.00 N HETATM 1369 C3P COA A 92 2.119 4.682 1.351 1.00 0.00 C HETATM 1370 C2P COA A 92 1.023 3.688 1.534 1.00 0.00 C HETATM 1371 S1P COA A 92 1.404 1.917 1.471 1.00 0.00 S HETATM 0 HO2A COA A 92 4.702 12.841 8.051 1.00 0.00 H new HETATM 0 H62A COA A 92 -0.825 7.179 10.826 1.00 0.00 H new HETATM 0 H61A COA A 92 -2.539 7.589 10.947 1.00 0.00 H new HETATM 0 H52A COA A 92 1.349 12.314 4.237 1.00 0.00 H new HETATM 0 H51A COA A 92 0.933 11.148 5.477 1.00 0.00 H new HETATM 0 H143 COA A 92 -1.108 5.905 6.918 1.00 0.00 H new HETATM 0 H142 COA A 92 -1.459 5.989 5.176 1.00 0.00 H new HETATM 0 H141 COA A 92 0.208 5.718 5.736 1.00 0.00 H new HETATM 0 H133 COA A 92 -0.714 7.868 3.857 1.00 0.00 H new HETATM 0 H132 COA A 92 0.260 9.176 4.570 1.00 0.00 H new HETATM 0 H131 COA A 92 0.944 7.541 4.413 1.00 0.00 H new HETATM 0 H122 COA A 92 -1.546 9.596 6.573 1.00 0.00 H new HETATM 0 H121 COA A 92 -2.324 8.130 7.135 1.00 0.00 H new HETATM 0 HO1 COA A 92 1.535 9.717 6.450 1.00 0.00 H new HETATM 0 HN8 COA A 92 2.095 8.002 5.115 1.00 0.00 H new HETATM 0 HN4 COA A 92 3.317 3.814 2.968 1.00 0.00 H new HETATM 0 H8A COA A 92 3.055 9.542 9.162 1.00 0.00 H new HETATM 0 H72 COA A 92 4.515 7.664 4.968 1.00 0.00 H new HETATM 0 H71 COA A 92 4.483 6.719 6.443 1.00 0.00 H new HETATM 0 H62 COA A 92 4.733 5.231 4.457 1.00 0.00 H new HETATM 0 H61 COA A 92 3.242 4.891 5.314 1.00 0.00 H new HETATM 0 H4B COA A 92 1.363 14.116 5.975 1.00 0.00 H new HETATM 0 H3B COA A 92 3.371 12.263 5.350 1.00 0.00 H new HETATM 0 H32 COA A 92 1.721 5.673 1.132 1.00 0.00 H new HETATM 0 H31 COA A 92 2.766 4.407 0.518 1.00 0.00 H new HETATM 0 H2B COA A 92 3.111 10.734 7.119 1.00 0.00 H new HETATM 0 H2A COA A 92 -2.998 11.760 9.433 1.00 0.00 H new HETATM 0 H22 COA A 92 0.559 3.888 2.500 1.00 0.00 H new HETATM 0 H21 COA A 92 0.270 3.887 0.771 1.00 0.00 H new HETATM 0 H1B COA A 92 2.295 12.778 9.206 1.00 0.00 H new HETATM 0 H10 COA A 92 0.202 7.742 8.018 1.00 0.00 H new HETATM 1403 C1 PLM A 96 0.339 1.305 0.132 1.00 0.00 C HETATM 1404 O1 PLM A 96 -0.870 1.342 0.146 1.00 0.00 O HETATM 1405 C2 PLM A 96 1.094 0.705 -1.061 1.00 0.00 C HETATM 1406 C3 PLM A 96 2.437 1.390 -1.278 1.00 0.00 C HETATM 1407 C4 PLM A 96 3.347 0.712 -2.306 1.00 0.00 C HETATM 1408 C5 PLM A 96 3.725 -0.766 -1.973 1.00 0.00 C HETATM 1409 C6 PLM A 96 2.740 -1.778 -2.585 1.00 0.00 C HETATM 1410 C7 PLM A 96 2.747 -1.640 -4.127 1.00 0.00 C HETATM 1411 C8 PLM A 96 3.468 -2.815 -4.824 1.00 0.00 C HETATM 1412 C9 PLM A 96 2.866 -4.184 -4.407 1.00 0.00 C HETATM 1413 CA PLM A 96 1.351 -4.188 -4.615 1.00 0.00 C HETATM 1414 CB PLM A 96 0.784 -5.404 -3.891 1.00 0.00 C HETATM 1415 CC PLM A 96 -0.738 -5.255 -3.831 1.00 0.00 C HETATM 1416 CD PLM A 96 -1.181 -4.155 -2.879 1.00 0.00 C HETATM 1417 CE PLM A 96 -1.066 -4.663 -1.459 1.00 0.00 C HETATM 1418 CF PLM A 96 -1.629 -3.569 -0.561 1.00 0.00 C HETATM 1419 CG PLM A 96 -3.124 -3.904 -0.321 1.00 0.00 C HETATM 0 HG3 PLM A 96 -3.650 -3.927 -1.276 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -3.206 -4.878 0.161 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -3.569 -3.143 0.320 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -1.087 -3.528 0.384 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -1.524 -2.591 -1.032 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -1.622 -5.592 -1.333 1.00 0.00 H new HETATM 0 HE1 PLM A 96 -0.027 -4.876 -1.206 1.00 0.00 H new HETATM 0 HD2 PLM A 96 -0.562 -3.268 -3.014 1.00 0.00 H new HETATM 0 HD1 PLM A 96 -2.209 -3.862 -3.093 1.00 0.00 H new HETATM 0 HC2 PLM A 96 -1.118 -5.041 -4.830 1.00 0.00 H new HETATM 0 HC1 PLM A 96 -1.180 -6.201 -3.518 1.00 0.00 H new HETATM 0 HB2 PLM A 96 1.056 -6.320 -4.415 1.00 0.00 H new HETATM 0 HB1 PLM A 96 1.199 -5.476 -2.886 1.00 0.00 H new HETATM 0 HA2 PLM A 96 0.910 -3.271 -4.225 1.00 0.00 H new HETATM 0 HA1 PLM A 96 1.111 -4.230 -5.678 1.00 0.00 H new HETATM 0 H92 PLM A 96 3.322 -4.982 -4.993 1.00 0.00 H new HETATM 0 H91 PLM A 96 3.096 -4.386 -3.361 1.00 0.00 H new HETATM 0 H82 PLM A 96 3.393 -2.698 -5.905 1.00 0.00 H new HETATM 0 H81 PLM A 96 4.529 -2.792 -4.573 1.00 0.00 H new HETATM 0 H72 PLM A 96 1.720 -1.583 -4.488 1.00 0.00 H new HETATM 0 H71 PLM A 96 3.234 -0.705 -4.402 1.00 0.00 H new HETATM 0 H62 PLM A 96 3.020 -2.792 -2.299 1.00 0.00 H new HETATM 0 H61 PLM A 96 1.736 -1.603 -2.198 1.00 0.00 H new HETATM 0 H52 PLM A 96 4.730 -0.973 -2.342 1.00 0.00 H new HETATM 0 H51 PLM A 96 3.750 -0.896 -0.891 1.00 0.00 H new HETATM 0 H42 PLM A 96 2.854 0.736 -3.278 1.00 0.00 H new HETATM 0 H41 PLM A 96 4.264 1.294 -2.399 1.00 0.00 H new HETATM 0 H32 PLM A 96 2.258 2.417 -1.595 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.963 1.438 -0.324 1.00 0.00 H new HETATM 0 H22 PLM A 96 1.251 -0.361 -0.894 1.00 0.00 H new HETATM 0 H21 PLM A 96 0.487 0.800 -1.961 1.00 0.00 H new