USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 731 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 62 TYR OH : rot 92:sc= 0.78 USER MOD Set 1.2: A 91 HIS : no HE2:sc= 1.09 K(o=1.9,f=-4.6!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.102 (180deg=-0.624) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0928 (180deg=-0.0474) USER MOD Single : A 3 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.41) USER MOD Single : A 4 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.03) USER MOD Single : A 5 HIS : no HE2:sc= 0.0224 K(o=0.022,f=-1.3) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.34) USER MOD Single : A 14 SER OG : rot 180:sc= -0.131 USER MOD Single : A 16 HIS : +bothHN:sc= 0.864 K(o=0.86,f=-11!) USER MOD Single : A 18 HIS : no HD1:sc= -0.733 X(o=-0.73,f=-0.34) USER MOD Single : A 20 THR OG1 : rot 130:sc=-0.00637 USER MOD Single : A 21 HIS : no HD1:sc= -0.35 K(o=-0.35,f=-5.7!) USER MOD Single : A 23 ASN : amide:sc= -0.0627 K(o=-0.063,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.017) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 37 MET CE :methyl -142:sc= -0.487 (180deg=-3.31!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -0.0771 (180deg=-0.437) USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= 0.047 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0173) USER MOD Single : A 50 CYS SG : rot 180:sc= -3.37! USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00153 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -117:sc= -1.63 (180deg=-5.03!) USER MOD Single : A 65 SER OG : rot 91:sc= 1.25 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.027) USER MOD Single : A 73 SER OG : rot -33:sc= 0.314 USER MOD Single : A 76 SER OG : rot -76:sc= 1.15 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.914 12.553 -14.985 1.00 73.35 N ATOM 2 CA MET A 1 8.786 11.762 -15.531 1.00 1.22 C ATOM 3 C MET A 1 9.306 10.596 -16.361 1.00 22.31 C ATOM 4 O MET A 1 10.511 10.468 -16.579 1.00 31.12 O ATOM 5 CB MET A 1 7.878 12.642 -16.399 1.00 11.22 C ATOM 6 CG MET A 1 8.580 13.245 -17.606 1.00 15.21 C ATOM 7 SD MET A 1 7.467 14.183 -18.668 1.00 14.42 S ATOM 8 CE MET A 1 6.396 12.877 -19.268 1.00 21.11 C ATOM 0 H1 MET A 1 9.746 13.564 -15.161 1.00 73.35 H new ATOM 0 H2 MET A 1 9.991 12.387 -13.961 1.00 73.35 H new ATOM 0 H3 MET A 1 10.798 12.263 -15.450 1.00 73.35 H new ATOM 0 HA MET A 1 8.209 11.375 -14.691 1.00 1.22 H new ATOM 0 HB2 MET A 1 7.032 12.047 -16.742 1.00 11.22 H new ATOM 0 HB3 MET A 1 7.474 13.447 -15.786 1.00 11.22 H new ATOM 0 HG2 MET A 1 9.384 13.897 -17.264 1.00 15.21 H new ATOM 0 HG3 MET A 1 9.042 12.447 -18.187 1.00 15.21 H new ATOM 0 HE1 MET A 1 5.925 13.192 -20.199 1.00 21.11 H new ATOM 0 HE2 MET A 1 6.984 11.977 -19.446 1.00 21.11 H new ATOM 0 HE3 MET A 1 5.627 12.667 -18.525 1.00 21.11 H new ATOM 20 N GLY A 2 8.395 9.749 -16.825 1.00 42.12 N ATOM 21 CA GLY A 2 8.776 8.651 -17.694 1.00 31.30 C ATOM 22 C GLY A 2 9.086 7.377 -16.935 1.00 54.43 C ATOM 23 O GLY A 2 10.250 7.019 -16.760 1.00 62.53 O ATOM 0 H GLY A 2 7.398 9.803 -16.615 1.00 42.12 H new ATOM 0 HA2 GLY A 2 7.970 8.459 -18.402 1.00 31.30 H new ATOM 0 HA3 GLY A 2 9.650 8.942 -18.277 1.00 31.30 H new ATOM 27 N HIS A 3 8.048 6.693 -16.479 1.00 43.54 N ATOM 28 CA HIS A 3 8.219 5.427 -15.775 1.00 40.55 C ATOM 29 C HIS A 3 7.030 4.516 -16.040 1.00 74.15 C ATOM 30 O HIS A 3 5.994 4.626 -15.381 1.00 42.33 O ATOM 31 CB HIS A 3 8.371 5.657 -14.267 1.00 3.22 C ATOM 32 CG HIS A 3 8.857 4.452 -13.516 1.00 54.21 C ATOM 33 ND1 HIS A 3 8.062 3.357 -13.237 1.00 64.25 N ATOM 34 CD2 HIS A 3 10.073 4.169 -12.993 1.00 73.21 C ATOM 35 CE1 HIS A 3 8.771 2.460 -12.574 1.00 41.40 C ATOM 36 NE2 HIS A 3 9.994 2.928 -12.413 1.00 62.33 N ATOM 0 H HIS A 3 7.078 6.991 -16.583 1.00 43.54 H new ATOM 0 HA HIS A 3 9.127 4.951 -16.146 1.00 40.55 H new ATOM 0 HB2 HIS A 3 9.066 6.480 -14.103 1.00 3.22 H new ATOM 0 HB3 HIS A 3 7.409 5.965 -13.857 1.00 3.22 H new ATOM 0 HD2 HIS A 3 10.946 4.804 -13.026 1.00 73.21 H new ATOM 0 HE1 HIS A 3 8.410 1.505 -12.223 1.00 41.40 H new ATOM 0 HE2 HIS A 3 10.756 2.446 -11.936 1.00 62.33 H new ATOM 45 N HIS A 4 7.180 3.624 -17.007 1.00 64.13 N ATOM 46 CA HIS A 4 6.111 2.702 -17.368 1.00 1.31 C ATOM 47 C HIS A 4 5.978 1.571 -16.359 1.00 23.25 C ATOM 48 O HIS A 4 6.879 1.315 -15.556 1.00 72.41 O ATOM 49 CB HIS A 4 6.350 2.100 -18.757 1.00 3.13 C ATOM 50 CG HIS A 4 5.781 2.900 -19.889 1.00 54.41 C ATOM 51 ND1 HIS A 4 6.286 2.851 -21.167 1.00 22.44 N ATOM 52 CD2 HIS A 4 4.718 3.735 -19.939 1.00 51.14 C ATOM 53 CE1 HIS A 4 5.561 3.623 -21.955 1.00 43.31 C ATOM 54 NE2 HIS A 4 4.600 4.171 -21.235 1.00 44.21 N ATOM 0 H HIS A 4 8.032 3.518 -17.557 1.00 64.13 H new ATOM 0 HA HIS A 4 5.188 3.281 -17.373 1.00 1.31 H new ATOM 0 HB2 HIS A 4 7.423 1.989 -18.911 1.00 3.13 H new ATOM 0 HB3 HIS A 4 5.919 1.099 -18.784 1.00 3.13 H new ATOM 0 HD2 HIS A 4 4.080 4.008 -19.112 1.00 51.14 H new ATOM 0 HE1 HIS A 4 5.726 3.780 -23.011 1.00 43.31 H new ATOM 0 HE2 HIS A 4 3.888 4.812 -21.584 1.00 44.21 H new ATOM 63 N HIS A 5 4.831 0.920 -16.412 1.00 32.05 N ATOM 64 CA HIS A 5 4.559 -0.281 -15.642 1.00 1.31 C ATOM 65 C HIS A 5 3.753 -1.214 -16.538 1.00 73.12 C ATOM 66 O HIS A 5 2.582 -1.495 -16.282 1.00 23.24 O ATOM 67 CB HIS A 5 3.778 0.072 -14.364 1.00 21.34 C ATOM 68 CG HIS A 5 3.598 -1.069 -13.396 1.00 33.33 C ATOM 69 ND1 HIS A 5 2.619 -2.027 -13.532 1.00 52.13 N ATOM 70 CD2 HIS A 5 4.260 -1.379 -12.256 1.00 1.44 C ATOM 71 CE1 HIS A 5 2.684 -2.871 -12.525 1.00 52.13 C ATOM 72 NE2 HIS A 5 3.671 -2.505 -11.729 1.00 22.53 N ATOM 0 H HIS A 5 4.051 1.214 -16.999 1.00 32.05 H new ATOM 0 HA HIS A 5 5.484 -0.765 -15.329 1.00 1.31 H new ATOM 0 HB2 HIS A 5 4.294 0.885 -13.853 1.00 21.34 H new ATOM 0 HB3 HIS A 5 2.795 0.447 -14.648 1.00 21.34 H new ATOM 0 HD1 HIS A 5 1.946 -2.075 -14.297 1.00 52.13 H new ATOM 0 HD2 HIS A 5 5.097 -0.841 -11.837 1.00 1.44 H new ATOM 0 HE1 HIS A 5 2.037 -3.722 -12.375 1.00 52.13 H new ATOM 81 N HIS A 6 4.375 -1.648 -17.625 1.00 24.43 N ATOM 82 CA HIS A 6 3.666 -2.386 -18.655 1.00 12.32 C ATOM 83 C HIS A 6 4.251 -3.776 -18.851 1.00 43.20 C ATOM 84 O HIS A 6 5.308 -3.937 -19.460 1.00 31.32 O ATOM 85 CB HIS A 6 3.700 -1.602 -19.973 1.00 53.12 C ATOM 86 CG HIS A 6 2.843 -2.189 -21.051 1.00 54.01 C ATOM 87 ND1 HIS A 6 1.468 -2.186 -20.992 1.00 51.45 N ATOM 88 CD2 HIS A 6 3.166 -2.791 -22.221 1.00 2.05 C ATOM 89 CE1 HIS A 6 0.982 -2.757 -22.077 1.00 71.04 C ATOM 90 NE2 HIS A 6 1.989 -3.132 -22.837 1.00 34.31 N ATOM 0 H HIS A 6 5.366 -1.501 -17.814 1.00 24.43 H new ATOM 0 HA HIS A 6 2.632 -2.508 -18.333 1.00 12.32 H new ATOM 0 HB2 HIS A 6 3.378 -0.578 -19.784 1.00 53.12 H new ATOM 0 HB3 HIS A 6 4.729 -1.552 -20.328 1.00 53.12 H new ATOM 0 HD2 HIS A 6 4.162 -2.969 -22.598 1.00 2.05 H new ATOM 0 HE1 HIS A 6 -0.065 -2.894 -22.304 1.00 71.04 H new ATOM 0 HE2 HIS A 6 1.907 -3.601 -23.739 1.00 34.31 H new ATOM 99 N HIS A 7 3.561 -4.771 -18.321 1.00 33.32 N ATOM 100 CA HIS A 7 3.927 -6.163 -18.527 1.00 21.43 C ATOM 101 C HIS A 7 2.672 -6.991 -18.749 1.00 61.44 C ATOM 102 O HIS A 7 1.566 -6.447 -18.786 1.00 41.21 O ATOM 103 CB HIS A 7 4.711 -6.713 -17.328 1.00 14.30 C ATOM 104 CG HIS A 7 6.070 -6.112 -17.169 1.00 42.24 C ATOM 105 ND1 HIS A 7 6.386 -5.234 -16.159 1.00 24.41 N ATOM 106 CD2 HIS A 7 7.200 -6.270 -17.896 1.00 71.11 C ATOM 107 CE1 HIS A 7 7.649 -4.874 -16.272 1.00 4.53 C ATOM 108 NE2 HIS A 7 8.166 -5.487 -17.316 1.00 64.30 N ATOM 0 H HIS A 7 2.735 -4.639 -17.738 1.00 33.32 H new ATOM 0 HA HIS A 7 4.568 -6.224 -19.406 1.00 21.43 H new ATOM 0 HB2 HIS A 7 4.137 -6.536 -16.418 1.00 14.30 H new ATOM 0 HB3 HIS A 7 4.812 -7.793 -17.436 1.00 14.30 H new ATOM 0 HD2 HIS A 7 7.319 -6.895 -18.769 1.00 71.11 H new ATOM 0 HE1 HIS A 7 8.172 -4.191 -15.618 1.00 4.53 H new ATOM 0 HE2 HIS A 7 9.128 -5.395 -17.641 1.00 64.30 H new ATOM 117 N HIS A 8 2.838 -8.291 -18.913 1.00 73.14 N ATOM 118 CA HIS A 8 1.707 -9.193 -19.065 1.00 62.51 C ATOM 119 C HIS A 8 1.958 -10.501 -18.332 1.00 0.24 C ATOM 120 O HIS A 8 2.352 -11.504 -18.929 1.00 41.23 O ATOM 121 CB HIS A 8 1.394 -9.461 -20.540 1.00 51.03 C ATOM 122 CG HIS A 8 0.444 -8.468 -21.138 1.00 4.52 C ATOM 123 ND1 HIS A 8 -0.925 -8.616 -21.079 1.00 43.11 N ATOM 124 CD2 HIS A 8 0.663 -7.308 -21.803 1.00 61.14 C ATOM 125 CE1 HIS A 8 -1.506 -7.593 -21.677 1.00 53.44 C ATOM 126 NE2 HIS A 8 -0.567 -6.786 -22.124 1.00 20.30 N ATOM 0 H HIS A 8 3.749 -8.749 -18.945 1.00 73.14 H new ATOM 0 HA HIS A 8 0.839 -8.705 -18.622 1.00 62.51 H new ATOM 0 HB2 HIS A 8 2.324 -9.451 -21.109 1.00 51.03 H new ATOM 0 HB3 HIS A 8 0.972 -10.461 -20.638 1.00 51.03 H new ATOM 0 HD2 HIS A 8 1.624 -6.875 -22.037 1.00 61.14 H new ATOM 0 HE1 HIS A 8 -2.570 -7.443 -21.782 1.00 53.44 H new ATOM 0 HE2 HIS A 8 -0.727 -5.914 -22.628 1.00 20.30 H new ATOM 135 N SER A 9 1.754 -10.468 -17.028 1.00 53.44 N ATOM 136 CA SER A 9 1.888 -11.648 -16.200 1.00 43.32 C ATOM 137 C SER A 9 0.505 -12.220 -15.912 1.00 62.11 C ATOM 138 O SER A 9 -0.222 -11.717 -15.047 1.00 51.32 O ATOM 139 CB SER A 9 2.620 -11.295 -14.899 1.00 75.42 C ATOM 140 OG SER A 9 2.877 -12.445 -14.111 1.00 44.43 O ATOM 0 H SER A 9 1.492 -9.625 -16.517 1.00 53.44 H new ATOM 0 HA SER A 9 2.476 -12.402 -16.723 1.00 43.32 H new ATOM 0 HB2 SER A 9 3.561 -10.798 -15.135 1.00 75.42 H new ATOM 0 HB3 SER A 9 2.021 -10.588 -14.325 1.00 75.42 H new ATOM 0 HG SER A 9 3.345 -12.182 -13.291 1.00 44.43 H new ATOM 146 N HIS A 10 0.133 -13.252 -16.661 1.00 15.54 N ATOM 147 CA HIS A 10 -1.188 -13.850 -16.528 1.00 31.24 C ATOM 148 C HIS A 10 -1.307 -14.549 -15.183 1.00 41.45 C ATOM 149 O HIS A 10 -0.720 -15.609 -14.972 1.00 14.33 O ATOM 150 CB HIS A 10 -1.457 -14.845 -17.662 1.00 62.54 C ATOM 151 CG HIS A 10 -2.888 -15.289 -17.746 1.00 52.53 C ATOM 152 ND1 HIS A 10 -3.450 -16.213 -16.885 1.00 3.02 N ATOM 153 CD2 HIS A 10 -3.879 -14.926 -18.596 1.00 54.22 C ATOM 154 CE1 HIS A 10 -4.718 -16.396 -17.207 1.00 2.22 C ATOM 155 NE2 HIS A 10 -5.002 -15.625 -18.237 1.00 52.22 N ATOM 0 H HIS A 10 0.727 -13.690 -17.365 1.00 15.54 H new ATOM 0 HA HIS A 10 -1.932 -13.055 -16.589 1.00 31.24 H new ATOM 0 HB2 HIS A 10 -1.171 -14.389 -18.610 1.00 62.54 H new ATOM 0 HB3 HIS A 10 -0.822 -15.720 -17.525 1.00 62.54 H new ATOM 0 HD2 HIS A 10 -3.799 -14.217 -19.407 1.00 54.22 H new ATOM 0 HE1 HIS A 10 -5.406 -17.064 -16.710 1.00 2.22 H new ATOM 0 HE2 HIS A 10 -5.912 -15.559 -18.694 1.00 52.22 H new ATOM 164 N GLY A 11 -2.058 -13.944 -14.281 1.00 22.13 N ATOM 165 CA GLY A 11 -2.216 -14.503 -12.962 1.00 45.34 C ATOM 166 C GLY A 11 -2.518 -13.443 -11.933 1.00 11.34 C ATOM 167 O GLY A 11 -3.256 -13.699 -10.981 1.00 74.12 O ATOM 0 H GLY A 11 -2.563 -13.072 -14.441 1.00 22.13 H new ATOM 0 HA2 GLY A 11 -3.021 -15.237 -12.973 1.00 45.34 H new ATOM 0 HA3 GLY A 11 -1.306 -15.033 -12.681 1.00 45.34 H new ATOM 171 N ASP A 12 -1.960 -12.247 -12.133 1.00 65.33 N ATOM 172 CA ASP A 12 -2.137 -11.137 -11.189 1.00 64.44 C ATOM 173 C ASP A 12 -1.643 -11.572 -9.808 1.00 12.32 C ATOM 174 O ASP A 12 -2.277 -11.322 -8.780 1.00 1.13 O ATOM 175 CB ASP A 12 -3.612 -10.699 -11.148 1.00 1.21 C ATOM 176 CG ASP A 12 -3.842 -9.396 -10.397 1.00 62.14 C ATOM 177 OD1 ASP A 12 -3.384 -8.340 -10.876 1.00 12.52 O ATOM 178 OD2 ASP A 12 -4.517 -9.423 -9.343 1.00 12.41 O ATOM 0 H ASP A 12 -1.380 -12.020 -12.941 1.00 65.33 H new ATOM 0 HA ASP A 12 -1.551 -10.277 -11.515 1.00 64.44 H new ATOM 0 HB2 ASP A 12 -3.978 -10.589 -12.169 1.00 1.21 H new ATOM 0 HB3 ASP A 12 -4.203 -11.487 -10.681 1.00 1.21 H new ATOM 183 N ASP A 13 -0.498 -12.248 -9.811 1.00 32.31 N ATOM 184 CA ASP A 13 0.092 -12.782 -8.589 1.00 14.24 C ATOM 185 C ASP A 13 0.746 -11.662 -7.797 1.00 41.12 C ATOM 186 O ASP A 13 1.944 -11.407 -7.932 1.00 14.42 O ATOM 187 CB ASP A 13 1.141 -13.852 -8.913 1.00 72.31 C ATOM 188 CG ASP A 13 0.738 -14.749 -10.064 1.00 13.22 C ATOM 189 OD1 ASP A 13 0.992 -14.371 -11.229 1.00 2.31 O ATOM 190 OD2 ASP A 13 0.170 -15.834 -9.813 1.00 11.12 O ATOM 0 H ASP A 13 0.043 -12.440 -10.654 1.00 32.31 H new ATOM 0 HA ASP A 13 -0.703 -13.236 -7.998 1.00 14.24 H new ATOM 0 HB2 ASP A 13 2.086 -13.365 -9.153 1.00 72.31 H new ATOM 0 HB3 ASP A 13 1.314 -14.463 -8.027 1.00 72.31 H new ATOM 195 N SER A 14 -0.049 -10.970 -7.003 1.00 52.51 N ATOM 196 CA SER A 14 0.434 -9.852 -6.215 1.00 14.31 C ATOM 197 C SER A 14 -0.466 -9.645 -5.005 1.00 42.42 C ATOM 198 O SER A 14 -1.559 -10.208 -4.936 1.00 44.32 O ATOM 199 CB SER A 14 0.465 -8.583 -7.075 1.00 43.03 C ATOM 200 OG SER A 14 1.324 -8.744 -8.194 1.00 3.33 O ATOM 0 H SER A 14 -1.043 -11.166 -6.886 1.00 52.51 H new ATOM 0 HA SER A 14 1.445 -10.068 -5.869 1.00 14.31 H new ATOM 0 HB2 SER A 14 -0.543 -8.347 -7.417 1.00 43.03 H new ATOM 0 HB3 SER A 14 0.802 -7.740 -6.472 1.00 43.03 H new ATOM 0 HG SER A 14 1.325 -7.922 -8.727 1.00 3.33 H new ATOM 206 N VAL A 15 0.002 -8.858 -4.047 1.00 13.50 N ATOM 207 CA VAL A 15 -0.803 -8.520 -2.886 1.00 51.44 C ATOM 208 C VAL A 15 -1.563 -7.224 -3.143 1.00 62.13 C ATOM 209 O VAL A 15 -0.976 -6.213 -3.526 1.00 3.11 O ATOM 210 CB VAL A 15 0.051 -8.400 -1.601 1.00 53.03 C ATOM 211 CG1 VAL A 15 0.602 -9.759 -1.200 1.00 4.44 C ATOM 212 CG2 VAL A 15 1.191 -7.403 -1.782 1.00 43.44 C ATOM 0 H VAL A 15 0.934 -8.443 -4.052 1.00 13.50 H new ATOM 0 HA VAL A 15 -1.512 -9.332 -2.725 1.00 51.44 H new ATOM 0 HB VAL A 15 -0.597 -8.031 -0.806 1.00 53.03 H new ATOM 0 HG11 VAL A 15 1.200 -9.656 -0.295 1.00 4.44 H new ATOM 0 HG12 VAL A 15 -0.224 -10.446 -1.014 1.00 4.44 H new ATOM 0 HG13 VAL A 15 1.225 -10.151 -2.004 1.00 4.44 H new ATOM 0 HG21 VAL A 15 1.771 -7.343 -0.861 1.00 43.44 H new ATOM 0 HG22 VAL A 15 1.836 -7.732 -2.597 1.00 43.44 H new ATOM 0 HG23 VAL A 15 0.781 -6.421 -2.018 1.00 43.44 H new ATOM 222 N HIS A 16 -2.872 -7.261 -2.965 1.00 13.42 N ATOM 223 CA HIS A 16 -3.709 -6.116 -3.296 1.00 33.23 C ATOM 224 C HIS A 16 -3.865 -5.191 -2.096 1.00 1.11 C ATOM 225 O HIS A 16 -4.781 -5.347 -1.286 1.00 34.00 O ATOM 226 CB HIS A 16 -5.083 -6.575 -3.794 1.00 45.11 C ATOM 227 CG HIS A 16 -5.019 -7.541 -4.939 1.00 42.14 C ATOM 228 ND1 HIS A 16 -5.319 -8.878 -4.801 1.00 1.34 N ATOM 229 CD2 HIS A 16 -4.679 -7.366 -6.238 1.00 11.34 C ATOM 230 CE1 HIS A 16 -5.165 -9.484 -5.960 1.00 42.01 C ATOM 231 NE2 HIS A 16 -4.775 -8.592 -6.847 1.00 14.11 N ATOM 0 H HIS A 16 -3.378 -8.066 -2.595 1.00 13.42 H new ATOM 0 HA HIS A 16 -3.217 -5.562 -4.095 1.00 33.23 H new ATOM 0 HB2 HIS A 16 -5.622 -7.040 -2.968 1.00 45.11 H new ATOM 0 HB3 HIS A 16 -5.659 -5.701 -4.099 1.00 45.11 H new ATOM 0 HD1 HIS A 16 -5.615 -9.329 -3.935 1.00 1.34 H new ATOM 0 HD2 HIS A 16 -4.387 -6.437 -6.706 1.00 11.34 H new ATOM 0 HE1 HIS A 16 -5.330 -10.534 -6.151 1.00 42.01 H new ATOM 0 HE2 HIS A 16 -4.576 -8.782 -7.829 1.00 14.11 H new ATOM 240 N LEU A 17 -2.952 -4.245 -1.971 1.00 24.34 N ATOM 241 CA LEU A 17 -3.001 -3.276 -0.885 1.00 4.32 C ATOM 242 C LEU A 17 -3.837 -2.069 -1.298 1.00 13.54 C ATOM 243 O LEU A 17 -3.412 -1.265 -2.124 1.00 75.21 O ATOM 244 CB LEU A 17 -1.587 -2.834 -0.503 1.00 5.42 C ATOM 245 CG LEU A 17 -0.648 -3.967 -0.080 1.00 63.44 C ATOM 246 CD1 LEU A 17 0.736 -3.426 0.242 1.00 24.43 C ATOM 247 CD2 LEU A 17 -1.216 -4.716 1.118 1.00 53.23 C ATOM 0 H LEU A 17 -2.165 -4.125 -2.608 1.00 24.34 H new ATOM 0 HA LEU A 17 -3.465 -3.745 -0.017 1.00 4.32 H new ATOM 0 HB2 LEU A 17 -1.144 -2.312 -1.351 1.00 5.42 H new ATOM 0 HB3 LEU A 17 -1.655 -2.115 0.313 1.00 5.42 H new ATOM 0 HG LEU A 17 -0.560 -4.664 -0.913 1.00 63.44 H new ATOM 0 HD11 LEU A 17 1.387 -4.247 0.540 1.00 24.43 H new ATOM 0 HD12 LEU A 17 1.150 -2.937 -0.640 1.00 24.43 H new ATOM 0 HD13 LEU A 17 0.665 -2.705 1.057 1.00 24.43 H new ATOM 0 HD21 LEU A 17 -0.534 -5.517 1.403 1.00 53.23 H new ATOM 0 HD22 LEU A 17 -1.336 -4.027 1.954 1.00 53.23 H new ATOM 0 HD23 LEU A 17 -2.185 -5.141 0.856 1.00 53.23 H new ATOM 259 N HIS A 18 -5.024 -1.946 -0.725 1.00 65.31 N ATOM 260 CA HIS A 18 -5.951 -0.896 -1.126 1.00 33.43 C ATOM 261 C HIS A 18 -5.575 0.428 -0.485 1.00 24.00 C ATOM 262 O HIS A 18 -5.447 0.525 0.734 1.00 44.43 O ATOM 263 CB HIS A 18 -7.390 -1.257 -0.752 1.00 2.40 C ATOM 264 CG HIS A 18 -7.916 -2.466 -1.462 1.00 71.21 C ATOM 265 ND1 HIS A 18 -8.592 -2.407 -2.661 1.00 12.05 N ATOM 266 CD2 HIS A 18 -7.874 -3.771 -1.123 1.00 43.33 C ATOM 267 CE1 HIS A 18 -8.944 -3.624 -3.024 1.00 2.11 C ATOM 268 NE2 HIS A 18 -8.518 -4.473 -2.108 1.00 34.34 N ATOM 0 H HIS A 18 -5.368 -2.556 0.016 1.00 65.31 H new ATOM 0 HA HIS A 18 -5.886 -0.799 -2.210 1.00 33.43 H new ATOM 0 HB2 HIS A 18 -7.444 -1.427 0.323 1.00 2.40 H new ATOM 0 HB3 HIS A 18 -8.037 -0.408 -0.973 1.00 2.40 H new ATOM 0 HD2 HIS A 18 -7.417 -4.187 -0.237 1.00 43.33 H new ATOM 0 HE1 HIS A 18 -9.489 -3.883 -3.920 1.00 2.11 H new ATOM 0 HE2 HIS A 18 -8.647 -5.485 -2.130 1.00 34.34 H new ATOM 277 N ILE A 19 -5.397 1.443 -1.310 1.00 51.41 N ATOM 278 CA ILE A 19 -5.051 2.765 -0.824 1.00 43.45 C ATOM 279 C ILE A 19 -6.311 3.534 -0.440 1.00 74.12 C ATOM 280 O ILE A 19 -7.207 3.724 -1.261 1.00 40.04 O ATOM 281 CB ILE A 19 -4.259 3.557 -1.883 1.00 42.21 C ATOM 282 CG1 ILE A 19 -2.999 2.785 -2.291 1.00 24.14 C ATOM 283 CG2 ILE A 19 -3.890 4.935 -1.349 1.00 4.24 C ATOM 284 CD1 ILE A 19 -2.196 3.458 -3.386 1.00 12.35 C ATOM 0 H ILE A 19 -5.487 1.376 -2.324 1.00 51.41 H new ATOM 0 HA ILE A 19 -4.421 2.643 0.057 1.00 43.45 H new ATOM 0 HB ILE A 19 -4.888 3.686 -2.764 1.00 42.21 H new ATOM 0 HG12 ILE A 19 -2.364 2.656 -1.415 1.00 24.14 H new ATOM 0 HG13 ILE A 19 -3.287 1.788 -2.625 1.00 24.14 H new ATOM 0 HG21 ILE A 19 -3.331 5.482 -2.108 1.00 4.24 H new ATOM 0 HG22 ILE A 19 -4.798 5.484 -1.101 1.00 4.24 H new ATOM 0 HG23 ILE A 19 -3.276 4.826 -0.455 1.00 4.24 H new ATOM 0 HD11 ILE A 19 -1.320 2.852 -3.620 1.00 12.35 H new ATOM 0 HD12 ILE A 19 -2.814 3.563 -4.278 1.00 12.35 H new ATOM 0 HD13 ILE A 19 -1.876 4.444 -3.049 1.00 12.35 H new ATOM 296 N THR A 20 -6.382 3.961 0.807 1.00 64.12 N ATOM 297 CA THR A 20 -7.526 4.713 1.289 1.00 50.31 C ATOM 298 C THR A 20 -7.117 6.153 1.574 1.00 72.52 C ATOM 299 O THR A 20 -6.430 6.436 2.556 1.00 61.01 O ATOM 300 CB THR A 20 -8.114 4.072 2.561 1.00 42.32 C ATOM 301 OG1 THR A 20 -8.317 2.669 2.342 1.00 35.31 O ATOM 302 CG2 THR A 20 -9.436 4.724 2.941 1.00 22.20 C ATOM 0 H THR A 20 -5.658 3.799 1.507 1.00 64.12 H new ATOM 0 HA THR A 20 -8.294 4.701 0.515 1.00 50.31 H new ATOM 0 HB THR A 20 -7.409 4.222 3.378 1.00 42.32 H new ATOM 0 HG1 THR A 20 -7.918 2.162 3.080 1.00 35.31 H new ATOM 0 HG21 THR A 20 -9.829 4.252 3.842 1.00 22.20 H new ATOM 0 HG22 THR A 20 -9.278 5.786 3.127 1.00 22.20 H new ATOM 0 HG23 THR A 20 -10.150 4.601 2.127 1.00 22.20 H new ATOM 310 N HIS A 21 -7.522 7.054 0.698 1.00 11.32 N ATOM 311 CA HIS A 21 -7.159 8.459 0.818 1.00 60.22 C ATOM 312 C HIS A 21 -8.106 9.154 1.801 1.00 63.12 C ATOM 313 O HIS A 21 -9.267 8.771 1.917 1.00 24.14 O ATOM 314 CB HIS A 21 -7.215 9.117 -0.567 1.00 42.43 C ATOM 315 CG HIS A 21 -6.388 10.358 -0.696 1.00 31.13 C ATOM 316 ND1 HIS A 21 -6.498 11.225 -1.760 1.00 13.04 N ATOM 317 CD2 HIS A 21 -5.421 10.868 0.099 1.00 64.13 C ATOM 318 CE1 HIS A 21 -5.637 12.213 -1.607 1.00 50.44 C ATOM 319 NE2 HIS A 21 -4.971 12.025 -0.485 1.00 73.43 N ATOM 0 H HIS A 21 -8.106 6.839 -0.110 1.00 11.32 H new ATOM 0 HA HIS A 21 -6.144 8.551 1.204 1.00 60.22 H new ATOM 0 HB2 HIS A 21 -6.883 8.395 -1.313 1.00 42.43 H new ATOM 0 HB3 HIS A 21 -8.252 9.360 -0.799 1.00 42.43 H new ATOM 0 HD2 HIS A 21 -5.067 10.442 1.026 1.00 64.13 H new ATOM 0 HE1 HIS A 21 -5.500 13.040 -2.289 1.00 50.44 H new ATOM 0 HE2 HIS A 21 -4.244 12.636 -0.114 1.00 73.43 H new ATOM 328 N ALA A 22 -7.605 10.156 2.522 1.00 65.11 N ATOM 329 CA ALA A 22 -8.408 10.836 3.535 1.00 21.34 C ATOM 330 C ALA A 22 -9.470 11.733 2.904 1.00 25.13 C ATOM 331 O ALA A 22 -10.668 11.494 3.071 1.00 3.31 O ATOM 332 CB ALA A 22 -7.518 11.640 4.471 1.00 20.13 C ATOM 0 H ALA A 22 -6.654 10.512 2.424 1.00 65.11 H new ATOM 0 HA ALA A 22 -8.925 10.070 4.114 1.00 21.34 H new ATOM 0 HB1 ALA A 22 -8.134 12.140 5.219 1.00 20.13 H new ATOM 0 HB2 ALA A 22 -6.815 10.972 4.968 1.00 20.13 H new ATOM 0 HB3 ALA A 22 -6.967 12.386 3.898 1.00 20.13 H new ATOM 338 N ASN A 23 -9.032 12.759 2.181 1.00 72.15 N ATOM 339 CA ASN A 23 -9.960 13.687 1.532 1.00 4.45 C ATOM 340 C ASN A 23 -10.787 12.973 0.472 1.00 3.22 C ATOM 341 O ASN A 23 -12.012 13.112 0.428 1.00 50.31 O ATOM 342 CB ASN A 23 -9.216 14.871 0.906 1.00 35.22 C ATOM 343 CG ASN A 23 -8.789 15.898 1.935 1.00 74.23 C ATOM 344 OD1 ASN A 23 -9.433 16.061 2.974 1.00 63.05 O ATOM 345 ND2 ASN A 23 -7.709 16.608 1.652 1.00 3.20 N ATOM 0 H ASN A 23 -8.046 12.971 2.028 1.00 72.15 H new ATOM 0 HA ASN A 23 -10.630 14.071 2.301 1.00 4.45 H new ATOM 0 HB2 ASN A 23 -8.336 14.504 0.377 1.00 35.22 H new ATOM 0 HB3 ASN A 23 -9.858 15.349 0.165 1.00 35.22 H new ATOM 0 HD21 ASN A 23 -7.382 17.321 2.304 1.00 3.20 H new ATOM 0 HD22 ASN A 23 -7.204 16.443 0.781 1.00 3.20 H new ATOM 352 N LEU A 24 -10.116 12.207 -0.376 1.00 13.04 N ATOM 353 CA LEU A 24 -10.796 11.395 -1.377 1.00 23.42 C ATOM 354 C LEU A 24 -11.143 10.042 -0.777 1.00 21.30 C ATOM 355 O LEU A 24 -10.334 9.112 -0.807 1.00 34.23 O ATOM 356 CB LEU A 24 -9.934 11.212 -2.636 1.00 43.22 C ATOM 357 CG LEU A 24 -9.819 12.434 -3.560 1.00 41.14 C ATOM 358 CD1 LEU A 24 -9.027 13.558 -2.905 1.00 72.41 C ATOM 359 CD2 LEU A 24 -9.176 12.030 -4.876 1.00 0.21 C ATOM 0 H LEU A 24 -9.099 12.130 -0.391 1.00 13.04 H new ATOM 0 HA LEU A 24 -11.708 11.911 -1.676 1.00 23.42 H new ATOM 0 HB2 LEU A 24 -8.930 10.921 -2.325 1.00 43.22 H new ATOM 0 HB3 LEU A 24 -10.342 10.382 -3.213 1.00 43.22 H new ATOM 0 HG LEU A 24 -10.825 12.808 -3.751 1.00 41.14 H new ATOM 0 HD11 LEU A 24 -8.966 14.406 -3.587 1.00 72.41 H new ATOM 0 HD12 LEU A 24 -9.526 13.867 -1.986 1.00 72.41 H new ATOM 0 HD13 LEU A 24 -8.022 13.207 -2.672 1.00 72.41 H new ATOM 0 HD21 LEU A 24 -9.098 12.902 -5.526 1.00 0.21 H new ATOM 0 HD22 LEU A 24 -8.181 11.629 -4.686 1.00 0.21 H new ATOM 0 HD23 LEU A 24 -9.788 11.269 -5.361 1.00 0.21 H new ATOM 371 N LYS A 25 -12.340 9.955 -0.216 1.00 50.40 N ATOM 372 CA LYS A 25 -12.772 8.776 0.526 1.00 13.03 C ATOM 373 C LYS A 25 -12.881 7.539 -0.364 1.00 62.52 C ATOM 374 O LYS A 25 -12.517 6.438 0.048 1.00 25.14 O ATOM 375 CB LYS A 25 -14.106 9.063 1.230 1.00 72.13 C ATOM 376 CG LYS A 25 -15.174 9.658 0.322 1.00 25.11 C ATOM 377 CD LYS A 25 -16.346 10.200 1.127 1.00 42.25 C ATOM 378 CE LYS A 25 -17.377 10.877 0.237 1.00 34.31 C ATOM 379 NZ LYS A 25 -18.072 9.913 -0.654 1.00 63.42 N ATOM 0 H LYS A 25 -13.039 10.697 -0.261 1.00 50.40 H new ATOM 0 HA LYS A 25 -12.010 8.556 1.274 1.00 13.03 H new ATOM 0 HB2 LYS A 25 -14.485 8.135 1.659 1.00 72.13 H new ATOM 0 HB3 LYS A 25 -13.927 9.748 2.059 1.00 72.13 H new ATOM 0 HG2 LYS A 25 -14.740 10.459 -0.277 1.00 25.11 H new ATOM 0 HG3 LYS A 25 -15.529 8.897 -0.373 1.00 25.11 H new ATOM 0 HD2 LYS A 25 -16.818 9.385 1.675 1.00 42.25 H new ATOM 0 HD3 LYS A 25 -15.981 10.912 1.867 1.00 42.25 H new ATOM 0 HE2 LYS A 25 -18.112 11.388 0.859 1.00 34.31 H new ATOM 0 HE3 LYS A 25 -16.887 11.639 -0.368 1.00 34.31 H new ATOM 0 HZ1 LYS A 25 -18.822 10.405 -1.180 1.00 63.42 H new ATOM 0 HZ2 LYS A 25 -17.389 9.506 -1.325 1.00 63.42 H new ATOM 0 HZ3 LYS A 25 -18.492 9.152 -0.082 1.00 63.42 H new ATOM 393 N SER A 26 -13.364 7.710 -1.580 1.00 61.42 N ATOM 394 CA SER A 26 -13.490 6.590 -2.492 1.00 31.22 C ATOM 395 C SER A 26 -12.306 6.542 -3.449 1.00 55.11 C ATOM 396 O SER A 26 -12.385 7.010 -4.586 1.00 42.12 O ATOM 397 CB SER A 26 -14.807 6.670 -3.265 1.00 11.32 C ATOM 398 OG SER A 26 -15.916 6.683 -2.378 1.00 23.14 O ATOM 0 H SER A 26 -13.673 8.606 -1.957 1.00 61.42 H new ATOM 0 HA SER A 26 -13.493 5.670 -1.907 1.00 31.22 H new ATOM 0 HB2 SER A 26 -14.818 7.570 -3.880 1.00 11.32 H new ATOM 0 HB3 SER A 26 -14.888 5.820 -3.942 1.00 11.32 H new ATOM 0 HG SER A 26 -16.747 6.736 -2.894 1.00 23.14 H new ATOM 404 N PHE A 27 -11.195 6.014 -2.969 1.00 40.34 N ATOM 405 CA PHE A 27 -10.019 5.858 -3.799 1.00 15.32 C ATOM 406 C PHE A 27 -9.964 4.426 -4.311 1.00 61.05 C ATOM 407 O PHE A 27 -9.506 3.519 -3.614 1.00 25.14 O ATOM 408 CB PHE A 27 -8.754 6.210 -3.013 1.00 62.24 C ATOM 409 CG PHE A 27 -7.546 6.429 -3.874 1.00 10.01 C ATOM 410 CD1 PHE A 27 -7.383 7.619 -4.563 1.00 40.50 C ATOM 411 CD2 PHE A 27 -6.573 5.453 -3.991 1.00 41.14 C ATOM 412 CE1 PHE A 27 -6.270 7.833 -5.355 1.00 53.53 C ATOM 413 CE2 PHE A 27 -5.458 5.659 -4.780 1.00 41.33 C ATOM 414 CZ PHE A 27 -5.307 6.851 -5.463 1.00 11.22 C ATOM 0 H PHE A 27 -11.084 5.687 -2.009 1.00 40.34 H new ATOM 0 HA PHE A 27 -10.076 6.540 -4.647 1.00 15.32 H new ATOM 0 HB2 PHE A 27 -8.940 7.111 -2.429 1.00 62.24 H new ATOM 0 HB3 PHE A 27 -8.543 5.409 -2.305 1.00 62.24 H new ATOM 0 HD1 PHE A 27 -8.135 8.390 -4.481 1.00 40.50 H new ATOM 0 HD2 PHE A 27 -6.686 4.520 -3.460 1.00 41.14 H new ATOM 0 HE1 PHE A 27 -6.155 8.766 -5.887 1.00 53.53 H new ATOM 0 HE2 PHE A 27 -4.705 4.889 -4.863 1.00 41.33 H new ATOM 0 HZ PHE A 27 -4.436 7.014 -6.081 1.00 11.22 H new ATOM 424 N SER A 28 -10.482 4.220 -5.509 1.00 14.23 N ATOM 425 CA SER A 28 -10.557 2.893 -6.088 1.00 3.01 C ATOM 426 C SER A 28 -9.259 2.530 -6.799 1.00 12.14 C ATOM 427 O SER A 28 -9.151 2.636 -8.022 1.00 73.25 O ATOM 428 CB SER A 28 -11.736 2.823 -7.055 1.00 44.40 C ATOM 429 OG SER A 28 -12.928 3.253 -6.418 1.00 72.41 O ATOM 0 H SER A 28 -10.858 4.960 -6.101 1.00 14.23 H new ATOM 0 HA SER A 28 -10.707 2.170 -5.286 1.00 3.01 H new ATOM 0 HB2 SER A 28 -11.537 3.447 -7.926 1.00 44.40 H new ATOM 0 HB3 SER A 28 -11.858 1.802 -7.416 1.00 44.40 H new ATOM 0 HG SER A 28 -13.674 3.204 -7.052 1.00 72.41 H new ATOM 435 N ALA A 29 -8.265 2.134 -6.018 1.00 23.00 N ATOM 436 CA ALA A 29 -6.977 1.732 -6.559 1.00 41.13 C ATOM 437 C ALA A 29 -6.212 0.881 -5.557 1.00 35.32 C ATOM 438 O ALA A 29 -5.821 1.361 -4.490 1.00 53.51 O ATOM 439 CB ALA A 29 -6.152 2.951 -6.949 1.00 4.03 C ATOM 0 H ALA A 29 -8.328 2.083 -5.001 1.00 23.00 H new ATOM 0 HA ALA A 29 -7.160 1.135 -7.453 1.00 41.13 H new ATOM 0 HB1 ALA A 29 -5.192 2.627 -7.351 1.00 4.03 H new ATOM 0 HB2 ALA A 29 -6.687 3.526 -7.705 1.00 4.03 H new ATOM 0 HB3 ALA A 29 -5.985 3.574 -6.070 1.00 4.03 H new ATOM 445 N ASP A 30 -6.026 -0.387 -5.888 1.00 62.31 N ATOM 446 CA ASP A 30 -5.213 -1.265 -5.067 1.00 65.32 C ATOM 447 C ASP A 30 -3.790 -1.294 -5.601 1.00 12.52 C ATOM 448 O ASP A 30 -3.566 -1.444 -6.807 1.00 30.41 O ATOM 449 CB ASP A 30 -5.797 -2.689 -4.994 1.00 62.44 C ATOM 450 CG ASP A 30 -5.722 -3.458 -6.305 1.00 12.32 C ATOM 451 OD1 ASP A 30 -6.669 -3.356 -7.114 1.00 31.32 O ATOM 452 OD2 ASP A 30 -4.735 -4.188 -6.522 1.00 21.30 O ATOM 0 H ASP A 30 -6.426 -0.828 -6.716 1.00 62.31 H new ATOM 0 HA ASP A 30 -5.209 -0.870 -4.051 1.00 65.32 H new ATOM 0 HB2 ASP A 30 -5.265 -3.250 -4.225 1.00 62.44 H new ATOM 0 HB3 ASP A 30 -6.839 -2.627 -4.680 1.00 62.44 H new ATOM 457 N ALA A 31 -2.836 -1.104 -4.713 1.00 11.11 N ATOM 458 CA ALA A 31 -1.435 -1.162 -5.077 1.00 44.13 C ATOM 459 C ALA A 31 -0.949 -2.598 -4.994 1.00 52.41 C ATOM 460 O ALA A 31 -0.475 -3.050 -3.952 1.00 73.44 O ATOM 461 CB ALA A 31 -0.610 -0.257 -4.176 1.00 13.22 C ATOM 0 H ALA A 31 -3.007 -0.907 -3.727 1.00 11.11 H new ATOM 0 HA ALA A 31 -1.316 -0.808 -6.101 1.00 44.13 H new ATOM 0 HB1 ALA A 31 0.439 -0.314 -4.465 1.00 13.22 H new ATOM 0 HB2 ALA A 31 -0.958 0.771 -4.276 1.00 13.22 H new ATOM 0 HB3 ALA A 31 -0.719 -0.578 -3.140 1.00 13.22 H new ATOM 467 N ARG A 32 -1.116 -3.328 -6.084 1.00 22.51 N ATOM 468 CA ARG A 32 -0.746 -4.729 -6.117 1.00 23.43 C ATOM 469 C ARG A 32 0.711 -4.892 -6.538 1.00 22.20 C ATOM 470 O ARG A 32 1.099 -4.546 -7.656 1.00 2.40 O ATOM 471 CB ARG A 32 -1.690 -5.508 -7.042 1.00 12.14 C ATOM 472 CG ARG A 32 -1.658 -5.062 -8.491 1.00 72.45 C ATOM 473 CD ARG A 32 -2.760 -5.722 -9.299 1.00 73.14 C ATOM 474 NE ARG A 32 -4.082 -5.187 -8.970 1.00 53.20 N ATOM 475 CZ ARG A 32 -5.121 -5.233 -9.798 1.00 15.20 C ATOM 476 NH1 ARG A 32 -5.047 -5.947 -10.917 1.00 2.02 N ATOM 477 NH2 ARG A 32 -6.255 -4.619 -9.473 1.00 11.54 N ATOM 0 H ARG A 32 -1.506 -2.972 -6.957 1.00 22.51 H new ATOM 0 HA ARG A 32 -0.845 -5.142 -5.113 1.00 23.43 H new ATOM 0 HB2 ARG A 32 -1.433 -6.566 -6.995 1.00 12.14 H new ATOM 0 HB3 ARG A 32 -2.709 -5.410 -6.667 1.00 12.14 H new ATOM 0 HG2 ARG A 32 -1.767 -3.979 -8.542 1.00 72.45 H new ATOM 0 HG3 ARG A 32 -0.689 -5.306 -8.927 1.00 72.45 H new ATOM 0 HD2 ARG A 32 -2.565 -5.578 -10.362 1.00 73.14 H new ATOM 0 HD3 ARG A 32 -2.749 -6.796 -9.116 1.00 73.14 H new ATOM 0 HE ARG A 32 -4.213 -4.755 -8.055 1.00 53.20 H new ATOM 0 HH11 ARG A 32 -4.193 -6.459 -11.140 1.00 2.02 H new ATOM 0 HH12 ARG A 32 -5.844 -5.983 -11.553 1.00 2.02 H new ATOM 0 HH21 ARG A 32 -6.326 -4.114 -8.590 1.00 11.54 H new ATOM 0 HH22 ARG A 32 -7.053 -4.653 -10.107 1.00 11.54 H new ATOM 491 N PHE A 33 1.522 -5.379 -5.617 1.00 53.43 N ATOM 492 CA PHE A 33 2.928 -5.630 -5.886 1.00 64.10 C ATOM 493 C PHE A 33 3.259 -7.078 -5.580 1.00 20.04 C ATOM 494 O PHE A 33 2.504 -7.757 -4.879 1.00 71.21 O ATOM 495 CB PHE A 33 3.819 -4.705 -5.054 1.00 23.23 C ATOM 496 CG PHE A 33 3.725 -3.255 -5.441 1.00 11.21 C ATOM 497 CD1 PHE A 33 4.460 -2.761 -6.507 1.00 31.15 C ATOM 498 CD2 PHE A 33 2.906 -2.387 -4.736 1.00 4.03 C ATOM 499 CE1 PHE A 33 4.382 -1.428 -6.861 1.00 4.32 C ATOM 500 CE2 PHE A 33 2.822 -1.054 -5.088 1.00 0.45 C ATOM 501 CZ PHE A 33 3.562 -0.574 -6.152 1.00 4.44 C ATOM 0 H PHE A 33 1.229 -5.611 -4.668 1.00 53.43 H new ATOM 0 HA PHE A 33 3.117 -5.429 -6.940 1.00 64.10 H new ATOM 0 HB2 PHE A 33 3.551 -4.808 -4.003 1.00 23.23 H new ATOM 0 HB3 PHE A 33 4.855 -5.030 -5.152 1.00 23.23 H new ATOM 0 HD1 PHE A 33 5.101 -3.426 -7.067 1.00 31.15 H new ATOM 0 HD2 PHE A 33 2.327 -2.757 -3.903 1.00 4.03 H new ATOM 0 HE1 PHE A 33 4.962 -1.055 -7.692 1.00 4.32 H new ATOM 0 HE2 PHE A 33 2.179 -0.388 -4.532 1.00 0.45 H new ATOM 0 HZ PHE A 33 3.499 0.468 -6.428 1.00 4.44 H new ATOM 511 N SER A 34 4.373 -7.550 -6.119 1.00 34.25 N ATOM 512 CA SER A 34 4.822 -8.913 -5.892 1.00 11.34 C ATOM 513 C SER A 34 4.954 -9.197 -4.396 1.00 3.22 C ATOM 514 O SER A 34 5.482 -8.379 -3.649 1.00 74.05 O ATOM 515 CB SER A 34 6.162 -9.135 -6.593 1.00 25.33 C ATOM 516 OG SER A 34 6.080 -8.787 -7.966 1.00 32.41 O ATOM 0 H SER A 34 4.987 -7.002 -6.722 1.00 34.25 H new ATOM 0 HA SER A 34 4.082 -9.600 -6.304 1.00 11.34 H new ATOM 0 HB2 SER A 34 6.934 -8.537 -6.108 1.00 25.33 H new ATOM 0 HB3 SER A 34 6.459 -10.179 -6.496 1.00 25.33 H new ATOM 0 HG SER A 34 6.949 -8.936 -8.394 1.00 32.41 H new ATOM 522 N PRO A 35 4.469 -10.364 -3.942 1.00 61.13 N ATOM 523 CA PRO A 35 4.522 -10.753 -2.527 1.00 65.31 C ATOM 524 C PRO A 35 5.956 -10.859 -2.007 1.00 53.43 C ATOM 525 O PRO A 35 6.190 -10.930 -0.802 1.00 51.41 O ATOM 526 CB PRO A 35 3.837 -12.126 -2.501 1.00 43.22 C ATOM 527 CG PRO A 35 3.045 -12.192 -3.761 1.00 2.30 C ATOM 528 CD PRO A 35 3.817 -11.393 -4.768 1.00 53.04 C ATOM 0 HA PRO A 35 4.041 -10.014 -1.886 1.00 65.31 H new ATOM 0 HB2 PRO A 35 4.570 -12.931 -2.454 1.00 43.22 H new ATOM 0 HB3 PRO A 35 3.195 -12.229 -1.626 1.00 43.22 H new ATOM 0 HG2 PRO A 35 2.921 -13.223 -4.092 1.00 2.30 H new ATOM 0 HG3 PRO A 35 2.046 -11.781 -3.617 1.00 2.30 H new ATOM 0 HD2 PRO A 35 4.545 -12.007 -5.298 1.00 53.04 H new ATOM 0 HD3 PRO A 35 3.163 -10.952 -5.521 1.00 53.04 H new ATOM 536 N GLN A 36 6.910 -10.854 -2.928 1.00 33.43 N ATOM 537 CA GLN A 36 8.322 -10.937 -2.580 1.00 73.50 C ATOM 538 C GLN A 36 8.909 -9.547 -2.330 1.00 34.41 C ATOM 539 O GLN A 36 10.074 -9.411 -1.959 1.00 43.25 O ATOM 540 CB GLN A 36 9.090 -11.632 -3.700 1.00 0.33 C ATOM 541 CG GLN A 36 8.666 -13.076 -3.922 1.00 43.33 C ATOM 542 CD GLN A 36 9.217 -13.653 -5.212 1.00 30.43 C ATOM 543 OE1 GLN A 36 10.282 -13.258 -5.677 1.00 2.03 O ATOM 544 NE2 GLN A 36 8.498 -14.601 -5.793 1.00 5.21 N ATOM 0 H GLN A 36 6.729 -10.793 -3.930 1.00 33.43 H new ATOM 0 HA GLN A 36 8.415 -11.516 -1.661 1.00 73.50 H new ATOM 0 HB2 GLN A 36 8.950 -11.074 -4.626 1.00 0.33 H new ATOM 0 HB3 GLN A 36 10.155 -11.606 -3.470 1.00 0.33 H new ATOM 0 HG2 GLN A 36 9.004 -13.683 -3.083 1.00 43.33 H new ATOM 0 HG3 GLN A 36 7.578 -13.133 -3.938 1.00 43.33 H new ATOM 0 HE21 GLN A 36 7.618 -14.902 -5.375 1.00 5.21 H new ATOM 0 HE22 GLN A 36 8.825 -15.030 -6.659 1.00 5.21 H new ATOM 553 N MET A 37 8.094 -8.522 -2.534 1.00 60.53 N ATOM 554 CA MET A 37 8.530 -7.147 -2.338 1.00 72.13 C ATOM 555 C MET A 37 8.418 -6.741 -0.873 1.00 73.52 C ATOM 556 O MET A 37 7.463 -7.109 -0.183 1.00 62.33 O ATOM 557 CB MET A 37 7.706 -6.193 -3.212 1.00 54.05 C ATOM 558 CG MET A 37 7.987 -4.721 -2.941 1.00 11.53 C ATOM 559 SD MET A 37 6.999 -3.619 -3.971 1.00 40.45 S ATOM 560 CE MET A 37 7.370 -2.037 -3.214 1.00 53.22 C ATOM 0 H MET A 37 7.124 -8.617 -2.836 1.00 60.53 H new ATOM 0 HA MET A 37 9.577 -7.082 -2.633 1.00 72.13 H new ATOM 0 HB2 MET A 37 7.911 -6.406 -4.261 1.00 54.05 H new ATOM 0 HB3 MET A 37 6.646 -6.388 -3.048 1.00 54.05 H new ATOM 0 HG2 MET A 37 7.788 -4.505 -1.891 1.00 11.53 H new ATOM 0 HG3 MET A 37 9.045 -4.520 -3.113 1.00 11.53 H new ATOM 0 HE1 MET A 37 6.472 -1.420 -3.202 1.00 53.22 H new ATOM 0 HE2 MET A 37 7.715 -2.195 -2.192 1.00 53.22 H new ATOM 0 HE3 MET A 37 8.149 -1.533 -3.786 1.00 53.22 H new ATOM 570 N SER A 38 9.414 -6.002 -0.403 1.00 71.35 N ATOM 571 CA SER A 38 9.399 -5.455 0.940 1.00 22.12 C ATOM 572 C SER A 38 9.016 -3.976 0.901 1.00 4.32 C ATOM 573 O SER A 38 9.103 -3.332 -0.150 1.00 21.13 O ATOM 574 CB SER A 38 10.773 -5.638 1.585 1.00 34.20 C ATOM 575 OG SER A 38 11.810 -5.263 0.690 1.00 53.11 O ATOM 0 H SER A 38 10.249 -5.768 -0.941 1.00 71.35 H new ATOM 0 HA SER A 38 8.657 -5.986 1.537 1.00 22.12 H new ATOM 0 HB2 SER A 38 10.836 -5.037 2.492 1.00 34.20 H new ATOM 0 HB3 SER A 38 10.903 -6.678 1.883 1.00 34.20 H new ATOM 0 HG SER A 38 12.679 -5.387 1.126 1.00 53.11 H new ATOM 581 N VAL A 39 8.609 -3.430 2.046 1.00 73.40 N ATOM 582 CA VAL A 39 8.176 -2.036 2.114 1.00 33.12 C ATOM 583 C VAL A 39 9.367 -1.094 1.912 1.00 5.21 C ATOM 584 O VAL A 39 9.205 0.102 1.663 1.00 25.13 O ATOM 585 CB VAL A 39 7.472 -1.726 3.458 1.00 71.22 C ATOM 586 CG1 VAL A 39 8.463 -1.722 4.614 1.00 54.15 C ATOM 587 CG2 VAL A 39 6.711 -0.408 3.389 1.00 43.14 C ATOM 0 H VAL A 39 8.570 -3.929 2.935 1.00 73.40 H new ATOM 0 HA VAL A 39 7.456 -1.874 1.312 1.00 33.12 H new ATOM 0 HB VAL A 39 6.750 -2.522 3.642 1.00 71.22 H new ATOM 0 HG11 VAL A 39 7.937 -1.501 5.543 1.00 54.15 H new ATOM 0 HG12 VAL A 39 8.938 -2.700 4.689 1.00 54.15 H new ATOM 0 HG13 VAL A 39 9.224 -0.962 4.438 1.00 54.15 H new ATOM 0 HG21 VAL A 39 6.227 -0.217 4.347 1.00 43.14 H new ATOM 0 HG22 VAL A 39 7.405 0.402 3.165 1.00 43.14 H new ATOM 0 HG23 VAL A 39 5.955 -0.465 2.606 1.00 43.14 H new ATOM 597 N GLU A 40 10.569 -1.654 2.005 1.00 15.34 N ATOM 598 CA GLU A 40 11.793 -0.906 1.758 1.00 11.35 C ATOM 599 C GLU A 40 11.792 -0.312 0.352 1.00 21.25 C ATOM 600 O GLU A 40 12.297 0.788 0.131 1.00 0.40 O ATOM 601 CB GLU A 40 13.011 -1.817 1.921 1.00 13.42 C ATOM 602 CG GLU A 40 14.333 -1.119 1.646 1.00 3.44 C ATOM 603 CD GLU A 40 15.469 -2.092 1.438 1.00 54.10 C ATOM 604 OE1 GLU A 40 15.634 -2.579 0.297 1.00 24.34 O ATOM 605 OE2 GLU A 40 16.206 -2.371 2.404 1.00 4.21 O ATOM 0 H GLU A 40 10.720 -2.632 2.252 1.00 15.34 H new ATOM 0 HA GLU A 40 11.844 -0.095 2.484 1.00 11.35 H new ATOM 0 HB2 GLU A 40 13.024 -2.215 2.936 1.00 13.42 H new ATOM 0 HB3 GLU A 40 12.911 -2.667 1.246 1.00 13.42 H new ATOM 0 HG2 GLU A 40 14.231 -0.490 0.761 1.00 3.44 H new ATOM 0 HG3 GLU A 40 14.572 -0.459 2.480 1.00 3.44 H new ATOM 612 N ALA A 41 11.179 -1.027 -0.589 1.00 22.03 N ATOM 613 CA ALA A 41 11.254 -0.667 -2.001 1.00 75.23 C ATOM 614 C ALA A 41 10.315 0.487 -2.365 1.00 20.03 C ATOM 615 O ALA A 41 10.142 0.804 -3.543 1.00 72.22 O ATOM 616 CB ALA A 41 10.951 -1.885 -2.863 1.00 2.10 C ATOM 0 H ALA A 41 10.624 -1.861 -0.397 1.00 22.03 H new ATOM 0 HA ALA A 41 12.270 -0.322 -2.194 1.00 75.23 H new ATOM 0 HB1 ALA A 41 11.009 -1.609 -3.916 1.00 2.10 H new ATOM 0 HB2 ALA A 41 11.678 -2.669 -2.653 1.00 2.10 H new ATOM 0 HB3 ALA A 41 9.949 -2.250 -2.638 1.00 2.10 H new ATOM 622 N VAL A 42 9.704 1.114 -1.366 1.00 31.33 N ATOM 623 CA VAL A 42 8.843 2.263 -1.624 1.00 24.24 C ATOM 624 C VAL A 42 9.328 3.491 -0.849 1.00 20.53 C ATOM 625 O VAL A 42 8.909 4.616 -1.123 1.00 75.34 O ATOM 626 CB VAL A 42 7.365 1.955 -1.274 1.00 54.33 C ATOM 627 CG1 VAL A 42 7.148 1.926 0.228 1.00 15.44 C ATOM 628 CG2 VAL A 42 6.425 2.949 -1.941 1.00 73.32 C ATOM 0 H VAL A 42 9.786 0.852 -0.384 1.00 31.33 H new ATOM 0 HA VAL A 42 8.898 2.479 -2.691 1.00 24.24 H new ATOM 0 HB VAL A 42 7.135 0.963 -1.662 1.00 54.33 H new ATOM 0 HG11 VAL A 42 6.101 1.708 0.440 1.00 15.44 H new ATOM 0 HG12 VAL A 42 7.777 1.154 0.672 1.00 15.44 H new ATOM 0 HG13 VAL A 42 7.410 2.895 0.652 1.00 15.44 H new ATOM 0 HG21 VAL A 42 5.395 2.709 -1.678 1.00 73.32 H new ATOM 0 HG22 VAL A 42 6.661 3.957 -1.601 1.00 73.32 H new ATOM 0 HG23 VAL A 42 6.545 2.894 -3.023 1.00 73.32 H new ATOM 638 N LYS A 43 10.246 3.271 0.086 1.00 34.20 N ATOM 639 CA LYS A 43 10.731 4.338 0.960 1.00 21.22 C ATOM 640 C LYS A 43 11.428 5.437 0.160 1.00 65.44 C ATOM 641 O LYS A 43 11.025 6.602 0.188 1.00 41.11 O ATOM 642 CB LYS A 43 11.706 3.769 1.993 1.00 24.42 C ATOM 643 CG LYS A 43 11.113 2.687 2.882 1.00 23.33 C ATOM 644 CD LYS A 43 9.993 3.226 3.756 1.00 65.55 C ATOM 645 CE LYS A 43 9.521 2.188 4.758 1.00 13.33 C ATOM 646 NZ LYS A 43 10.615 1.758 5.668 1.00 52.05 N ATOM 0 H LYS A 43 10.672 2.361 0.260 1.00 34.20 H new ATOM 0 HA LYS A 43 9.868 4.771 1.466 1.00 21.22 H new ATOM 0 HB2 LYS A 43 12.572 3.361 1.472 1.00 24.42 H new ATOM 0 HB3 LYS A 43 12.067 4.583 2.622 1.00 24.42 H new ATOM 0 HG2 LYS A 43 10.732 1.876 2.262 1.00 23.33 H new ATOM 0 HG3 LYS A 43 11.896 2.265 3.513 1.00 23.33 H new ATOM 0 HD2 LYS A 43 10.338 4.114 4.286 1.00 65.55 H new ATOM 0 HD3 LYS A 43 9.157 3.534 3.129 1.00 65.55 H new ATOM 0 HE2 LYS A 43 8.700 2.598 5.346 1.00 13.33 H new ATOM 0 HE3 LYS A 43 9.130 1.321 4.226 1.00 13.33 H new ATOM 0 HZ1 LYS A 43 10.263 1.732 6.646 1.00 52.05 H new ATOM 0 HZ2 LYS A 43 10.943 0.810 5.393 1.00 52.05 H new ATOM 0 HZ3 LYS A 43 11.406 2.430 5.602 1.00 52.05 H new ATOM 660 N GLU A 44 12.470 5.047 -0.559 1.00 54.02 N ATOM 661 CA GLU A 44 13.276 5.982 -1.328 1.00 70.32 C ATOM 662 C GLU A 44 12.514 6.449 -2.564 1.00 34.23 C ATOM 663 O GLU A 44 12.723 7.554 -3.065 1.00 23.00 O ATOM 664 CB GLU A 44 14.584 5.298 -1.726 1.00 61.13 C ATOM 665 CG GLU A 44 15.577 6.182 -2.455 1.00 53.21 C ATOM 666 CD GLU A 44 16.848 5.433 -2.782 1.00 21.24 C ATOM 667 OE1 GLU A 44 17.753 5.387 -1.921 1.00 21.15 O ATOM 668 OE2 GLU A 44 16.938 4.863 -3.889 1.00 70.34 O ATOM 0 H GLU A 44 12.779 4.077 -0.626 1.00 54.02 H new ATOM 0 HA GLU A 44 13.498 6.860 -0.721 1.00 70.32 H new ATOM 0 HB2 GLU A 44 15.060 4.908 -0.826 1.00 61.13 H new ATOM 0 HB3 GLU A 44 14.350 4.442 -2.359 1.00 61.13 H new ATOM 0 HG2 GLU A 44 15.127 6.556 -3.375 1.00 53.21 H new ATOM 0 HG3 GLU A 44 15.813 7.050 -1.840 1.00 53.21 H new ATOM 675 N LYS A 45 11.607 5.601 -3.023 1.00 1.22 N ATOM 676 CA LYS A 45 10.827 5.865 -4.221 1.00 74.11 C ATOM 677 C LYS A 45 9.896 7.056 -4.007 1.00 15.45 C ATOM 678 O LYS A 45 9.782 7.928 -4.868 1.00 21.10 O ATOM 679 CB LYS A 45 10.039 4.607 -4.594 1.00 3.33 C ATOM 680 CG LYS A 45 9.433 4.633 -5.989 1.00 11.33 C ATOM 681 CD LYS A 45 9.005 3.237 -6.416 1.00 4.45 C ATOM 682 CE LYS A 45 10.194 2.287 -6.433 1.00 72.42 C ATOM 683 NZ LYS A 45 9.796 0.875 -6.665 1.00 24.41 N ATOM 0 H LYS A 45 11.391 4.710 -2.575 1.00 1.22 H new ATOM 0 HA LYS A 45 11.497 6.120 -5.042 1.00 74.11 H new ATOM 0 HB2 LYS A 45 10.699 3.743 -4.514 1.00 3.33 H new ATOM 0 HB3 LYS A 45 9.239 4.465 -3.867 1.00 3.33 H new ATOM 0 HG2 LYS A 45 8.573 5.303 -6.005 1.00 11.33 H new ATOM 0 HG3 LYS A 45 10.159 5.029 -6.699 1.00 11.33 H new ATOM 0 HD2 LYS A 45 8.243 2.861 -5.733 1.00 4.45 H new ATOM 0 HD3 LYS A 45 8.553 3.278 -7.407 1.00 4.45 H new ATOM 0 HE2 LYS A 45 10.890 2.597 -7.212 1.00 72.42 H new ATOM 0 HE3 LYS A 45 10.725 2.359 -5.484 1.00 72.42 H new ATOM 0 HZ1 LYS A 45 10.482 0.421 -7.301 1.00 24.41 H new ATOM 0 HZ2 LYS A 45 9.775 0.367 -5.758 1.00 24.41 H new ATOM 0 HZ3 LYS A 45 8.851 0.847 -7.099 1.00 24.41 H new ATOM 697 N LEU A 46 9.244 7.100 -2.851 1.00 32.51 N ATOM 698 CA LEU A 46 8.373 8.222 -2.515 1.00 53.40 C ATOM 699 C LEU A 46 9.199 9.446 -2.143 1.00 44.31 C ATOM 700 O LEU A 46 8.808 10.585 -2.420 1.00 20.40 O ATOM 701 CB LEU A 46 7.440 7.855 -1.358 1.00 64.23 C ATOM 702 CG LEU A 46 6.432 6.746 -1.659 1.00 12.10 C ATOM 703 CD1 LEU A 46 5.586 6.447 -0.432 1.00 64.42 C ATOM 704 CD2 LEU A 46 5.550 7.131 -2.837 1.00 32.34 C ATOM 0 H LEU A 46 9.301 6.377 -2.134 1.00 32.51 H new ATOM 0 HA LEU A 46 7.769 8.455 -3.392 1.00 53.40 H new ATOM 0 HB2 LEU A 46 8.047 7.550 -0.506 1.00 64.23 H new ATOM 0 HB3 LEU A 46 6.893 8.748 -1.056 1.00 64.23 H new ATOM 0 HG LEU A 46 6.983 5.843 -1.924 1.00 12.10 H new ATOM 0 HD11 LEU A 46 4.874 5.655 -0.665 1.00 64.42 H new ATOM 0 HD12 LEU A 46 6.231 6.126 0.385 1.00 64.42 H new ATOM 0 HD13 LEU A 46 5.045 7.346 -0.135 1.00 64.42 H new ATOM 0 HD21 LEU A 46 4.839 6.329 -3.036 1.00 32.34 H new ATOM 0 HD22 LEU A 46 5.008 8.047 -2.602 1.00 32.34 H new ATOM 0 HD23 LEU A 46 6.170 7.293 -3.718 1.00 32.34 H new ATOM 716 N TRP A 47 10.349 9.199 -1.523 1.00 52.15 N ATOM 717 CA TRP A 47 11.250 10.266 -1.108 1.00 22.51 C ATOM 718 C TRP A 47 11.685 11.116 -2.299 1.00 34.22 C ATOM 719 O TRP A 47 11.646 12.344 -2.240 1.00 34.40 O ATOM 720 CB TRP A 47 12.475 9.669 -0.405 1.00 54.41 C ATOM 721 CG TRP A 47 13.542 10.674 -0.093 1.00 40.31 C ATOM 722 CD1 TRP A 47 13.565 11.551 0.953 1.00 61.33 C ATOM 723 CD2 TRP A 47 14.747 10.901 -0.834 1.00 51.14 C ATOM 724 NE1 TRP A 47 14.704 12.315 0.903 1.00 35.21 N ATOM 725 CE2 TRP A 47 15.447 11.934 -0.185 1.00 34.30 C ATOM 726 CE3 TRP A 47 15.299 10.331 -1.984 1.00 62.35 C ATOM 727 CZ2 TRP A 47 16.670 12.410 -0.648 1.00 5.51 C ATOM 728 CZ3 TRP A 47 16.514 10.806 -2.444 1.00 51.34 C ATOM 729 CH2 TRP A 47 17.188 11.834 -1.777 1.00 11.32 C ATOM 0 H TRP A 47 10.680 8.261 -1.296 1.00 52.15 H new ATOM 0 HA TRP A 47 10.716 10.914 -0.412 1.00 22.51 H new ATOM 0 HB2 TRP A 47 12.155 9.193 0.522 1.00 54.41 H new ATOM 0 HB3 TRP A 47 12.899 8.887 -1.035 1.00 54.41 H new ATOM 0 HD1 TRP A 47 12.799 11.632 1.710 1.00 61.33 H new ATOM 0 HE1 TRP A 47 14.957 13.047 1.567 1.00 35.21 H new ATOM 0 HE3 TRP A 47 14.787 9.535 -2.504 1.00 62.35 H new ATOM 0 HZ2 TRP A 47 17.192 13.205 -0.135 1.00 5.51 H new ATOM 0 HZ3 TRP A 47 16.950 10.376 -3.334 1.00 51.34 H new ATOM 0 HH2 TRP A 47 18.136 12.181 -2.160 1.00 11.32 H new ATOM 740 N LYS A 48 12.078 10.461 -3.383 1.00 10.02 N ATOM 741 CA LYS A 48 12.579 11.164 -4.559 1.00 24.54 C ATOM 742 C LYS A 48 11.435 11.663 -5.435 1.00 62.11 C ATOM 743 O LYS A 48 11.661 12.281 -6.479 1.00 31.25 O ATOM 744 CB LYS A 48 13.516 10.256 -5.360 1.00 71.41 C ATOM 745 CG LYS A 48 12.856 8.998 -5.905 1.00 75.33 C ATOM 746 CD LYS A 48 13.893 8.026 -6.444 1.00 41.15 C ATOM 747 CE LYS A 48 14.721 8.650 -7.558 1.00 45.11 C ATOM 748 NZ LYS A 48 15.881 7.800 -7.928 1.00 54.24 N ATOM 0 H LYS A 48 12.060 9.445 -3.474 1.00 10.02 H new ATOM 0 HA LYS A 48 13.140 12.035 -4.219 1.00 24.54 H new ATOM 0 HB2 LYS A 48 13.930 10.825 -6.193 1.00 71.41 H new ATOM 0 HB3 LYS A 48 14.353 9.967 -4.725 1.00 71.41 H new ATOM 0 HG2 LYS A 48 12.277 8.517 -5.117 1.00 75.33 H new ATOM 0 HG3 LYS A 48 12.156 9.265 -6.697 1.00 75.33 H new ATOM 0 HD2 LYS A 48 14.551 7.709 -5.635 1.00 41.15 H new ATOM 0 HD3 LYS A 48 13.394 7.132 -6.818 1.00 41.15 H new ATOM 0 HE2 LYS A 48 14.092 8.807 -8.434 1.00 45.11 H new ATOM 0 HE3 LYS A 48 15.076 9.631 -7.241 1.00 45.11 H new ATOM 0 HZ1 LYS A 48 16.419 8.260 -8.690 1.00 54.24 H new ATOM 0 HZ2 LYS A 48 16.495 7.671 -7.099 1.00 54.24 H new ATOM 0 HZ3 LYS A 48 15.542 6.873 -8.255 1.00 54.24 H new ATOM 762 N LYS A 49 10.211 11.401 -5.008 1.00 32.15 N ATOM 763 CA LYS A 49 9.035 11.852 -5.734 1.00 34.50 C ATOM 764 C LYS A 49 8.623 13.256 -5.290 1.00 42.32 C ATOM 765 O LYS A 49 8.625 14.194 -6.089 1.00 64.24 O ATOM 766 CB LYS A 49 7.878 10.866 -5.533 1.00 50.13 C ATOM 767 CG LYS A 49 6.540 11.368 -6.059 1.00 75.55 C ATOM 768 CD LYS A 49 5.429 10.357 -5.824 1.00 42.03 C ATOM 769 CE LYS A 49 4.052 10.978 -6.015 1.00 24.42 C ATOM 770 NZ LYS A 49 3.865 11.529 -7.383 1.00 10.35 N ATOM 0 H LYS A 49 10.005 10.876 -4.158 1.00 32.15 H new ATOM 0 HA LYS A 49 9.283 11.892 -6.795 1.00 34.50 H new ATOM 0 HB2 LYS A 49 8.123 9.927 -6.030 1.00 50.13 H new ATOM 0 HB3 LYS A 49 7.780 10.648 -4.470 1.00 50.13 H new ATOM 0 HG2 LYS A 49 6.286 12.308 -5.570 1.00 75.55 H new ATOM 0 HG3 LYS A 49 6.623 11.576 -7.126 1.00 75.55 H new ATOM 0 HD2 LYS A 49 5.549 9.519 -6.511 1.00 42.03 H new ATOM 0 HD3 LYS A 49 5.510 9.956 -4.814 1.00 42.03 H new ATOM 0 HE2 LYS A 49 3.287 10.226 -5.821 1.00 24.42 H new ATOM 0 HE3 LYS A 49 3.910 11.773 -5.283 1.00 24.42 H new ATOM 0 HZ1 LYS A 49 2.878 11.833 -7.503 1.00 10.35 H new ATOM 0 HZ2 LYS A 49 4.497 12.344 -7.518 1.00 10.35 H new ATOM 0 HZ3 LYS A 49 4.089 10.796 -8.086 1.00 10.35 H new ATOM 784 N CYS A 50 8.291 13.403 -4.014 1.00 0.53 N ATOM 785 CA CYS A 50 7.773 14.669 -3.509 1.00 73.23 C ATOM 786 C CYS A 50 8.751 15.335 -2.543 1.00 42.00 C ATOM 787 O CYS A 50 8.431 16.358 -1.936 1.00 32.54 O ATOM 788 CB CYS A 50 6.427 14.444 -2.817 1.00 41.42 C ATOM 789 SG CYS A 50 5.185 13.670 -3.876 1.00 42.33 S ATOM 0 H CYS A 50 8.370 12.666 -3.313 1.00 0.53 H new ATOM 0 HA CYS A 50 7.639 15.337 -4.360 1.00 73.23 H new ATOM 0 HB2 CYS A 50 6.581 13.820 -1.937 1.00 41.42 H new ATOM 0 HB3 CYS A 50 6.045 15.402 -2.465 1.00 41.42 H new ATOM 0 HG CYS A 50 4.080 13.516 -3.208 1.00 42.33 H new ATOM 795 N GLY A 51 9.945 14.761 -2.413 1.00 40.43 N ATOM 796 CA GLY A 51 10.939 15.312 -1.509 1.00 3.22 C ATOM 797 C GLY A 51 10.454 15.342 -0.074 1.00 10.42 C ATOM 798 O GLY A 51 10.563 16.362 0.607 1.00 33.21 O ATOM 0 H GLY A 51 10.241 13.925 -2.917 1.00 40.43 H new ATOM 0 HA2 GLY A 51 11.851 14.719 -1.570 1.00 3.22 H new ATOM 0 HA3 GLY A 51 11.195 16.323 -1.826 1.00 3.22 H new ATOM 802 N THR A 52 9.918 14.223 0.383 1.00 54.12 N ATOM 803 CA THR A 52 9.333 14.146 1.708 1.00 13.55 C ATOM 804 C THR A 52 9.818 12.894 2.432 1.00 14.02 C ATOM 805 O THR A 52 10.282 11.940 1.800 1.00 12.33 O ATOM 806 CB THR A 52 7.788 14.152 1.630 1.00 65.02 C ATOM 807 OG1 THR A 52 7.218 14.210 2.943 1.00 22.35 O ATOM 808 CG2 THR A 52 7.269 12.916 0.904 1.00 5.44 C ATOM 0 H THR A 52 9.877 13.353 -0.148 1.00 54.12 H new ATOM 0 HA THR A 52 9.652 15.024 2.270 1.00 13.55 H new ATOM 0 HB THR A 52 7.490 15.038 1.069 1.00 65.02 H new ATOM 0 HG1 THR A 52 6.240 14.215 2.875 1.00 22.35 H new ATOM 0 HG21 THR A 52 6.180 12.948 0.865 1.00 5.44 H new ATOM 0 HG22 THR A 52 7.668 12.895 -0.110 1.00 5.44 H new ATOM 0 HG23 THR A 52 7.587 12.020 1.438 1.00 5.44 H new ATOM 816 N SER A 53 9.724 12.911 3.750 1.00 32.04 N ATOM 817 CA SER A 53 10.133 11.780 4.559 1.00 1.24 C ATOM 818 C SER A 53 8.923 10.911 4.891 1.00 4.44 C ATOM 819 O SER A 53 7.807 11.416 5.010 1.00 74.24 O ATOM 820 CB SER A 53 10.804 12.279 5.837 1.00 42.43 C ATOM 821 OG SER A 53 11.844 13.192 5.531 1.00 23.24 O ATOM 0 H SER A 53 9.365 13.702 4.284 1.00 32.04 H new ATOM 0 HA SER A 53 10.848 11.175 4.001 1.00 1.24 H new ATOM 0 HB2 SER A 53 10.066 12.762 6.477 1.00 42.43 H new ATOM 0 HB3 SER A 53 11.207 11.435 6.396 1.00 42.43 H new ATOM 0 HG SER A 53 12.261 13.503 6.361 1.00 23.24 H new ATOM 827 N VAL A 54 9.143 9.610 5.042 1.00 73.03 N ATOM 828 CA VAL A 54 8.052 8.673 5.317 1.00 54.11 C ATOM 829 C VAL A 54 7.417 8.936 6.683 1.00 61.55 C ATOM 830 O VAL A 54 6.319 8.465 6.969 1.00 11.30 O ATOM 831 CB VAL A 54 8.522 7.203 5.245 1.00 61.51 C ATOM 832 CG1 VAL A 54 9.029 6.874 3.851 1.00 22.02 C ATOM 833 CG2 VAL A 54 9.593 6.917 6.289 1.00 44.43 C ATOM 0 H VAL A 54 10.064 9.177 4.979 1.00 73.03 H new ATOM 0 HA VAL A 54 7.305 8.837 4.541 1.00 54.11 H new ATOM 0 HB VAL A 54 7.666 6.564 5.461 1.00 61.51 H new ATOM 0 HG11 VAL A 54 9.356 5.835 3.819 1.00 22.02 H new ATOM 0 HG12 VAL A 54 8.228 7.025 3.127 1.00 22.02 H new ATOM 0 HG13 VAL A 54 9.867 7.526 3.606 1.00 22.02 H new ATOM 0 HG21 VAL A 54 9.905 5.875 6.215 1.00 44.43 H new ATOM 0 HG22 VAL A 54 10.452 7.566 6.116 1.00 44.43 H new ATOM 0 HG23 VAL A 54 9.190 7.105 7.284 1.00 44.43 H new ATOM 843 N ASN A 55 8.114 9.690 7.522 1.00 22.44 N ATOM 844 CA ASN A 55 7.595 10.053 8.837 1.00 42.25 C ATOM 845 C ASN A 55 6.636 11.240 8.712 1.00 62.41 C ATOM 846 O ASN A 55 5.808 11.490 9.587 1.00 1.24 O ATOM 847 CB ASN A 55 8.749 10.398 9.785 1.00 10.12 C ATOM 848 CG ASN A 55 8.298 10.601 11.220 1.00 61.34 C ATOM 849 OD1 ASN A 55 7.338 9.983 11.682 1.00 33.21 O ATOM 850 ND2 ASN A 55 9.001 11.464 11.939 1.00 63.42 N ATOM 0 H ASN A 55 9.041 10.063 7.317 1.00 22.44 H new ATOM 0 HA ASN A 55 7.050 9.203 9.249 1.00 42.25 H new ATOM 0 HB2 ASN A 55 9.490 9.599 9.752 1.00 10.12 H new ATOM 0 HB3 ASN A 55 9.242 11.304 9.433 1.00 10.12 H new ATOM 0 HD21 ASN A 55 8.754 11.637 12.913 1.00 63.42 H new ATOM 0 HD22 ASN A 55 9.789 11.955 11.518 1.00 63.42 H new ATOM 857 N SER A 56 6.742 11.956 7.600 1.00 13.34 N ATOM 858 CA SER A 56 5.900 13.116 7.343 1.00 34.45 C ATOM 859 C SER A 56 4.639 12.698 6.588 1.00 52.42 C ATOM 860 O SER A 56 3.803 13.529 6.229 1.00 24.43 O ATOM 861 CB SER A 56 6.683 14.152 6.531 1.00 34.21 C ATOM 862 OG SER A 56 7.931 14.443 7.147 1.00 3.44 O ATOM 0 H SER A 56 7.409 11.751 6.856 1.00 13.34 H new ATOM 0 HA SER A 56 5.604 13.558 8.294 1.00 34.45 H new ATOM 0 HB2 SER A 56 6.850 13.777 5.521 1.00 34.21 H new ATOM 0 HB3 SER A 56 6.097 15.066 6.439 1.00 34.21 H new ATOM 0 HG SER A 56 8.414 15.105 6.610 1.00 3.44 H new ATOM 868 N MET A 57 4.516 11.401 6.356 1.00 11.04 N ATOM 869 CA MET A 57 3.366 10.844 5.662 1.00 31.14 C ATOM 870 C MET A 57 2.684 9.804 6.546 1.00 50.34 C ATOM 871 O MET A 57 3.121 8.657 6.621 1.00 51.24 O ATOM 872 CB MET A 57 3.802 10.220 4.332 1.00 0.13 C ATOM 873 CG MET A 57 2.653 9.682 3.493 1.00 71.12 C ATOM 874 SD MET A 57 3.208 9.032 1.902 1.00 41.43 S ATOM 875 CE MET A 57 1.661 8.451 1.214 1.00 21.14 C ATOM 0 H MET A 57 5.207 10.707 6.642 1.00 11.04 H new ATOM 0 HA MET A 57 2.655 11.642 5.449 1.00 31.14 H new ATOM 0 HB2 MET A 57 4.342 10.968 3.752 1.00 0.13 H new ATOM 0 HB3 MET A 57 4.501 9.408 4.535 1.00 0.13 H new ATOM 0 HG2 MET A 57 2.141 8.894 4.046 1.00 71.12 H new ATOM 0 HG3 MET A 57 1.927 10.477 3.324 1.00 71.12 H new ATOM 0 HE1 MET A 57 1.708 7.371 1.073 1.00 21.14 H new ATOM 0 HE2 MET A 57 0.846 8.693 1.896 1.00 21.14 H new ATOM 0 HE3 MET A 57 1.486 8.935 0.253 1.00 21.14 H new ATOM 885 N ALA A 58 1.625 10.220 7.231 1.00 42.34 N ATOM 886 CA ALA A 58 0.933 9.345 8.171 1.00 52.22 C ATOM 887 C ALA A 58 0.125 8.278 7.439 1.00 42.03 C ATOM 888 O ALA A 58 -0.866 8.577 6.767 1.00 74.25 O ATOM 889 CB ALA A 58 0.036 10.164 9.089 1.00 34.32 C ATOM 0 H ALA A 58 1.227 11.156 7.154 1.00 42.34 H new ATOM 0 HA ALA A 58 1.682 8.835 8.777 1.00 52.22 H new ATOM 0 HB1 ALA A 58 -0.475 9.500 9.786 1.00 34.32 H new ATOM 0 HB2 ALA A 58 0.641 10.879 9.647 1.00 34.32 H new ATOM 0 HB3 ALA A 58 -0.702 10.701 8.493 1.00 34.32 H new ATOM 895 N LEU A 59 0.569 7.034 7.563 1.00 34.35 N ATOM 896 CA LEU A 59 -0.092 5.913 6.915 1.00 15.21 C ATOM 897 C LEU A 59 -0.705 4.976 7.947 1.00 41.45 C ATOM 898 O LEU A 59 0.008 4.256 8.649 1.00 65.22 O ATOM 899 CB LEU A 59 0.902 5.141 6.044 1.00 42.50 C ATOM 900 CG LEU A 59 1.530 5.942 4.901 1.00 64.34 C ATOM 901 CD1 LEU A 59 2.554 5.100 4.156 1.00 11.12 C ATOM 902 CD2 LEU A 59 0.452 6.434 3.949 1.00 4.30 C ATOM 0 H LEU A 59 1.390 6.777 8.111 1.00 34.35 H new ATOM 0 HA LEU A 59 -0.889 6.309 6.285 1.00 15.21 H new ATOM 0 HB2 LEU A 59 1.701 4.762 6.682 1.00 42.50 H new ATOM 0 HB3 LEU A 59 0.393 4.275 5.622 1.00 42.50 H new ATOM 0 HG LEU A 59 2.042 6.806 5.325 1.00 64.34 H new ATOM 0 HD11 LEU A 59 2.989 5.687 3.347 1.00 11.12 H new ATOM 0 HD12 LEU A 59 3.341 4.791 4.844 1.00 11.12 H new ATOM 0 HD13 LEU A 59 2.067 4.217 3.742 1.00 11.12 H new ATOM 0 HD21 LEU A 59 0.912 7.002 3.141 1.00 4.30 H new ATOM 0 HD22 LEU A 59 -0.084 5.580 3.533 1.00 4.30 H new ATOM 0 HD23 LEU A 59 -0.247 7.073 4.489 1.00 4.30 H new ATOM 914 N GLU A 60 -2.023 4.995 8.044 1.00 2.14 N ATOM 915 CA GLU A 60 -2.723 4.117 8.967 1.00 21.14 C ATOM 916 C GLU A 60 -3.103 2.817 8.269 1.00 34.10 C ATOM 917 O GLU A 60 -4.124 2.740 7.579 1.00 44.53 O ATOM 918 CB GLU A 60 -3.970 4.798 9.530 1.00 32.31 C ATOM 919 CG GLU A 60 -3.683 6.103 10.253 1.00 25.15 C ATOM 920 CD GLU A 60 -4.939 6.726 10.817 1.00 73.01 C ATOM 921 OE1 GLU A 60 -5.850 7.046 10.027 1.00 74.23 O ATOM 922 OE2 GLU A 60 -5.029 6.891 12.050 1.00 53.30 O ATOM 0 H GLU A 60 -2.629 5.607 7.497 1.00 2.14 H new ATOM 0 HA GLU A 60 -2.054 3.892 9.798 1.00 21.14 H new ATOM 0 HB2 GLU A 60 -4.667 4.991 8.714 1.00 32.31 H new ATOM 0 HB3 GLU A 60 -4.467 4.114 10.218 1.00 32.31 H new ATOM 0 HG2 GLU A 60 -2.974 5.922 11.061 1.00 25.15 H new ATOM 0 HG3 GLU A 60 -3.209 6.802 9.564 1.00 25.15 H new ATOM 929 N LEU A 61 -2.259 1.809 8.430 1.00 71.32 N ATOM 930 CA LEU A 61 -2.487 0.505 7.827 1.00 72.24 C ATOM 931 C LEU A 61 -3.493 -0.299 8.640 1.00 51.34 C ATOM 932 O LEU A 61 -3.153 -0.871 9.679 1.00 0.54 O ATOM 933 CB LEU A 61 -1.167 -0.270 7.707 1.00 51.53 C ATOM 934 CG LEU A 61 -1.291 -1.702 7.173 1.00 44.33 C ATOM 935 CD1 LEU A 61 -1.853 -1.705 5.758 1.00 40.02 C ATOM 936 CD2 LEU A 61 0.061 -2.403 7.216 1.00 74.41 C ATOM 0 H LEU A 61 -1.402 1.871 8.979 1.00 71.32 H new ATOM 0 HA LEU A 61 -2.895 0.661 6.829 1.00 72.24 H new ATOM 0 HB2 LEU A 61 -0.497 0.287 7.052 1.00 51.53 H new ATOM 0 HB3 LEU A 61 -0.696 -0.306 8.689 1.00 51.53 H new ATOM 0 HG LEU A 61 -1.984 -2.248 7.813 1.00 44.33 H new ATOM 0 HD11 LEU A 61 -1.932 -2.732 5.400 1.00 40.02 H new ATOM 0 HD12 LEU A 61 -2.841 -1.244 5.758 1.00 40.02 H new ATOM 0 HD13 LEU A 61 -1.189 -1.142 5.102 1.00 40.02 H new ATOM 0 HD21 LEU A 61 -0.043 -3.418 6.834 1.00 74.41 H new ATOM 0 HD22 LEU A 61 0.775 -1.855 6.601 1.00 74.41 H new ATOM 0 HD23 LEU A 61 0.420 -2.438 8.244 1.00 74.41 H new ATOM 948 N TYR A 62 -4.733 -0.324 8.176 1.00 23.12 N ATOM 949 CA TYR A 62 -5.762 -1.123 8.820 1.00 30.24 C ATOM 950 C TYR A 62 -5.800 -2.507 8.195 1.00 4.45 C ATOM 951 O TYR A 62 -5.316 -2.703 7.077 1.00 1.45 O ATOM 952 CB TYR A 62 -7.156 -0.499 8.676 1.00 64.25 C ATOM 953 CG TYR A 62 -7.264 0.961 9.051 1.00 34.11 C ATOM 954 CD1 TYR A 62 -6.888 1.421 10.307 1.00 31.13 C ATOM 955 CD2 TYR A 62 -7.774 1.879 8.143 1.00 60.44 C ATOM 956 CE1 TYR A 62 -7.010 2.756 10.643 1.00 60.32 C ATOM 957 CE2 TYR A 62 -7.902 3.213 8.473 1.00 61.33 C ATOM 958 CZ TYR A 62 -7.521 3.647 9.723 1.00 51.43 C ATOM 959 OH TYR A 62 -7.659 4.976 10.052 1.00 32.43 O ATOM 0 H TYR A 62 -5.050 0.198 7.359 1.00 23.12 H new ATOM 0 HA TYR A 62 -5.510 -1.174 9.879 1.00 30.24 H new ATOM 0 HB2 TYR A 62 -7.480 -0.614 7.642 1.00 64.25 H new ATOM 0 HB3 TYR A 62 -7.853 -1.066 9.293 1.00 64.25 H new ATOM 0 HD1 TYR A 62 -6.494 0.724 11.032 1.00 31.13 H new ATOM 0 HD2 TYR A 62 -8.076 1.544 7.162 1.00 60.44 H new ATOM 0 HE1 TYR A 62 -6.707 3.100 11.621 1.00 60.32 H new ATOM 0 HE2 TYR A 62 -8.299 3.914 7.754 1.00 61.33 H new ATOM 0 HH TYR A 62 -6.849 5.463 9.792 1.00 32.43 H new ATOM 969 N ASP A 63 -6.379 -3.454 8.918 1.00 42.24 N ATOM 970 CA ASP A 63 -6.646 -4.782 8.383 1.00 3.22 C ATOM 971 C ASP A 63 -7.598 -4.669 7.198 1.00 64.31 C ATOM 972 O ASP A 63 -7.364 -5.249 6.141 1.00 41.51 O ATOM 973 CB ASP A 63 -7.256 -5.686 9.473 1.00 53.50 C ATOM 974 CG ASP A 63 -8.648 -5.248 9.910 1.00 32.43 C ATOM 975 OD1 ASP A 63 -8.822 -4.066 10.293 1.00 1.02 O ATOM 976 OD2 ASP A 63 -9.587 -6.070 9.834 1.00 0.21 O ATOM 0 H ASP A 63 -6.675 -3.326 9.886 1.00 42.24 H new ATOM 0 HA ASP A 63 -5.709 -5.229 8.051 1.00 3.22 H new ATOM 0 HB2 ASP A 63 -7.305 -6.709 9.101 1.00 53.50 H new ATOM 0 HB3 ASP A 63 -6.596 -5.693 10.340 1.00 53.50 H new ATOM 981 N ASP A 64 -8.660 -3.895 7.418 1.00 22.25 N ATOM 982 CA ASP A 64 -9.701 -3.597 6.433 1.00 13.52 C ATOM 983 C ASP A 64 -10.918 -3.100 7.184 1.00 1.51 C ATOM 984 O ASP A 64 -11.642 -2.217 6.729 1.00 4.53 O ATOM 985 CB ASP A 64 -10.094 -4.813 5.590 1.00 71.03 C ATOM 986 CG ASP A 64 -11.221 -4.505 4.624 1.00 24.15 C ATOM 987 OD1 ASP A 64 -10.995 -3.757 3.649 1.00 31.01 O ATOM 988 OD2 ASP A 64 -12.345 -5.003 4.841 1.00 60.30 O ATOM 0 H ASP A 64 -8.826 -3.442 8.317 1.00 22.25 H new ATOM 0 HA ASP A 64 -9.311 -2.849 5.743 1.00 13.52 H new ATOM 0 HB2 ASP A 64 -9.225 -5.161 5.032 1.00 71.03 H new ATOM 0 HB3 ASP A 64 -10.396 -5.627 6.249 1.00 71.03 H new ATOM 993 N SER A 65 -11.110 -3.673 8.364 1.00 3.52 N ATOM 994 CA SER A 65 -12.207 -3.301 9.236 1.00 62.34 C ATOM 995 C SER A 65 -11.914 -1.971 9.920 1.00 41.32 C ATOM 996 O SER A 65 -12.786 -1.109 10.032 1.00 61.24 O ATOM 997 CB SER A 65 -12.415 -4.391 10.284 1.00 0.24 C ATOM 998 OG SER A 65 -12.256 -5.680 9.708 1.00 60.13 O ATOM 0 H SER A 65 -10.509 -4.407 8.740 1.00 3.52 H new ATOM 0 HA SER A 65 -13.113 -3.192 8.640 1.00 62.34 H new ATOM 0 HB2 SER A 65 -11.702 -4.261 11.098 1.00 0.24 H new ATOM 0 HB3 SER A 65 -13.412 -4.301 10.716 1.00 0.24 H new ATOM 0 HG SER A 65 -11.321 -5.962 9.790 1.00 60.13 H new ATOM 1004 N GLY A 66 -10.674 -1.805 10.370 1.00 71.03 N ATOM 1005 CA GLY A 66 -10.295 -0.569 11.020 1.00 44.53 C ATOM 1006 C GLY A 66 -9.232 -0.757 12.082 1.00 72.41 C ATOM 1007 O GLY A 66 -8.792 0.214 12.699 1.00 75.11 O ATOM 0 H GLY A 66 -9.931 -2.500 10.296 1.00 71.03 H new ATOM 0 HA2 GLY A 66 -9.930 0.132 10.269 1.00 44.53 H new ATOM 0 HA3 GLY A 66 -11.178 -0.119 11.474 1.00 44.53 H new ATOM 1011 N SER A 67 -8.816 -1.996 12.307 1.00 55.14 N ATOM 1012 CA SER A 67 -7.765 -2.278 13.272 1.00 20.10 C ATOM 1013 C SER A 67 -6.408 -2.198 12.586 1.00 3.12 C ATOM 1014 O SER A 67 -6.190 -2.857 11.572 1.00 40.13 O ATOM 1015 CB SER A 67 -7.964 -3.671 13.865 1.00 34.24 C ATOM 1016 OG SER A 67 -9.310 -3.863 14.272 1.00 20.13 O ATOM 0 H SER A 67 -9.190 -2.819 11.835 1.00 55.14 H new ATOM 0 HA SER A 67 -7.807 -1.542 14.075 1.00 20.10 H new ATOM 0 HB2 SER A 67 -7.692 -4.426 13.128 1.00 34.24 H new ATOM 0 HB3 SER A 67 -7.300 -3.805 14.719 1.00 34.24 H new ATOM 0 HG SER A 67 -9.413 -4.763 14.647 1.00 20.13 H new ATOM 1022 N LYS A 68 -5.507 -1.381 13.112 1.00 51.31 N ATOM 1023 CA LYS A 68 -4.187 -1.267 12.517 1.00 64.44 C ATOM 1024 C LYS A 68 -3.397 -2.555 12.735 1.00 1.34 C ATOM 1025 O LYS A 68 -3.224 -3.017 13.862 1.00 74.32 O ATOM 1026 CB LYS A 68 -3.415 -0.053 13.059 1.00 33.15 C ATOM 1027 CG LYS A 68 -3.071 -0.129 14.538 1.00 53.24 C ATOM 1028 CD LYS A 68 -2.094 0.965 14.933 1.00 74.50 C ATOM 1029 CE LYS A 68 -1.594 0.784 16.359 1.00 54.04 C ATOM 1030 NZ LYS A 68 -2.691 0.897 17.352 1.00 13.55 N ATOM 0 H LYS A 68 -5.662 -0.798 13.934 1.00 51.31 H new ATOM 0 HA LYS A 68 -4.318 -1.110 11.446 1.00 64.44 H new ATOM 0 HB2 LYS A 68 -2.492 0.057 12.490 1.00 33.15 H new ATOM 0 HB3 LYS A 68 -4.007 0.845 12.883 1.00 33.15 H new ATOM 0 HG2 LYS A 68 -3.981 -0.038 15.131 1.00 53.24 H new ATOM 0 HG3 LYS A 68 -2.639 -1.104 14.764 1.00 53.24 H new ATOM 0 HD2 LYS A 68 -1.247 0.962 14.247 1.00 74.50 H new ATOM 0 HD3 LYS A 68 -2.578 1.937 14.837 1.00 74.50 H new ATOM 0 HE2 LYS A 68 -1.117 -0.192 16.455 1.00 54.04 H new ATOM 0 HE3 LYS A 68 -0.832 1.533 16.574 1.00 54.04 H new ATOM 0 HZ1 LYS A 68 -2.297 0.835 18.313 1.00 13.55 H new ATOM 0 HZ2 LYS A 68 -3.174 1.811 17.234 1.00 13.55 H new ATOM 0 HZ3 LYS A 68 -3.372 0.124 17.207 1.00 13.55 H new ATOM 1044 N VAL A 69 -2.937 -3.141 11.641 1.00 3.22 N ATOM 1045 CA VAL A 69 -2.212 -4.402 11.692 1.00 24.10 C ATOM 1046 C VAL A 69 -0.737 -4.186 11.371 1.00 52.20 C ATOM 1047 O VAL A 69 0.002 -5.131 11.092 1.00 42.12 O ATOM 1048 CB VAL A 69 -2.812 -5.432 10.714 1.00 71.05 C ATOM 1049 CG1 VAL A 69 -4.211 -5.824 11.157 1.00 13.53 C ATOM 1050 CG2 VAL A 69 -2.835 -4.882 9.293 1.00 31.01 C ATOM 0 H VAL A 69 -3.054 -2.761 10.701 1.00 3.22 H new ATOM 0 HA VAL A 69 -2.304 -4.794 12.705 1.00 24.10 H new ATOM 0 HB VAL A 69 -2.181 -6.321 10.722 1.00 71.05 H new ATOM 0 HG11 VAL A 69 -4.623 -6.552 10.458 1.00 13.53 H new ATOM 0 HG12 VAL A 69 -4.167 -6.263 12.154 1.00 13.53 H new ATOM 0 HG13 VAL A 69 -4.847 -4.939 11.177 1.00 13.53 H new ATOM 0 HG21 VAL A 69 -3.262 -5.627 8.622 1.00 31.01 H new ATOM 0 HG22 VAL A 69 -3.441 -3.976 9.263 1.00 31.01 H new ATOM 0 HG23 VAL A 69 -1.818 -4.649 8.976 1.00 31.01 H new ATOM 1060 N ALA A 70 -0.316 -2.933 11.432 1.00 62.23 N ATOM 1061 CA ALA A 70 1.061 -2.581 11.140 1.00 54.13 C ATOM 1062 C ALA A 70 1.963 -2.856 12.335 1.00 75.22 C ATOM 1063 O ALA A 70 2.315 -1.948 13.087 1.00 53.13 O ATOM 1064 CB ALA A 70 1.156 -1.124 10.714 1.00 23.23 C ATOM 0 H ALA A 70 -0.910 -2.143 11.682 1.00 62.23 H new ATOM 0 HA ALA A 70 1.404 -3.205 10.315 1.00 54.13 H new ATOM 0 HB1 ALA A 70 2.195 -0.875 10.498 1.00 23.23 H new ATOM 0 HB2 ALA A 70 0.552 -0.966 9.820 1.00 23.23 H new ATOM 0 HB3 ALA A 70 0.789 -0.485 11.517 1.00 23.23 H new ATOM 1070 N VAL A 71 2.300 -4.127 12.527 1.00 60.32 N ATOM 1071 CA VAL A 71 3.254 -4.516 13.556 1.00 31.21 C ATOM 1072 C VAL A 71 4.655 -4.036 13.163 1.00 74.41 C ATOM 1073 O VAL A 71 5.480 -3.711 14.018 1.00 42.11 O ATOM 1074 CB VAL A 71 3.244 -6.051 13.784 1.00 62.50 C ATOM 1075 CG1 VAL A 71 3.614 -6.802 12.514 1.00 21.23 C ATOM 1076 CG2 VAL A 71 4.172 -6.438 14.926 1.00 33.43 C ATOM 0 H VAL A 71 1.926 -4.904 11.983 1.00 60.32 H new ATOM 0 HA VAL A 71 2.963 -4.046 14.495 1.00 31.21 H new ATOM 0 HB VAL A 71 2.228 -6.336 14.057 1.00 62.50 H new ATOM 0 HG11 VAL A 71 3.598 -7.875 12.708 1.00 21.23 H new ATOM 0 HG12 VAL A 71 2.897 -6.564 11.729 1.00 21.23 H new ATOM 0 HG13 VAL A 71 4.613 -6.506 12.194 1.00 21.23 H new ATOM 0 HG21 VAL A 71 4.147 -7.519 15.065 1.00 33.43 H new ATOM 0 HG22 VAL A 71 5.189 -6.126 14.690 1.00 33.43 H new ATOM 0 HG23 VAL A 71 3.846 -5.946 15.843 1.00 33.43 H new ATOM 1086 N LEU A 72 4.883 -3.977 11.848 1.00 54.21 N ATOM 1087 CA LEU A 72 6.124 -3.471 11.269 1.00 42.03 C ATOM 1088 C LEU A 72 7.344 -4.191 11.844 1.00 43.34 C ATOM 1089 O LEU A 72 8.076 -3.647 12.671 1.00 55.30 O ATOM 1090 CB LEU A 72 6.234 -1.950 11.473 1.00 5.04 C ATOM 1091 CG LEU A 72 6.994 -1.177 10.383 1.00 1.12 C ATOM 1092 CD1 LEU A 72 8.474 -1.537 10.373 1.00 21.45 C ATOM 1093 CD2 LEU A 72 6.372 -1.438 9.018 1.00 31.55 C ATOM 0 H LEU A 72 4.203 -4.283 11.152 1.00 54.21 H new ATOM 0 HA LEU A 72 6.101 -3.673 10.198 1.00 42.03 H new ATOM 0 HB2 LEU A 72 5.227 -1.540 11.546 1.00 5.04 H new ATOM 0 HB3 LEU A 72 6.724 -1.766 12.429 1.00 5.04 H new ATOM 0 HG LEU A 72 6.914 -0.114 10.610 1.00 1.12 H new ATOM 0 HD11 LEU A 72 8.981 -0.972 9.590 1.00 21.45 H new ATOM 0 HD12 LEU A 72 8.914 -1.293 11.340 1.00 21.45 H new ATOM 0 HD13 LEU A 72 8.588 -2.604 10.182 1.00 21.45 H new ATOM 0 HD21 LEU A 72 6.921 -0.884 8.256 1.00 31.55 H new ATOM 0 HD22 LEU A 72 6.418 -2.504 8.795 1.00 31.55 H new ATOM 0 HD23 LEU A 72 5.332 -1.113 9.024 1.00 31.55 H new ATOM 1105 N SER A 73 7.521 -5.434 11.436 1.00 20.40 N ATOM 1106 CA SER A 73 8.731 -6.178 11.752 1.00 4.11 C ATOM 1107 C SER A 73 9.229 -6.866 10.486 1.00 21.14 C ATOM 1108 O SER A 73 10.244 -7.563 10.481 1.00 52.41 O ATOM 1109 CB SER A 73 8.447 -7.209 12.852 1.00 40.21 C ATOM 1110 OG SER A 73 9.631 -7.875 13.262 1.00 23.25 O ATOM 0 H SER A 73 6.840 -5.954 10.882 1.00 20.40 H new ATOM 0 HA SER A 73 9.499 -5.497 12.120 1.00 4.11 H new ATOM 0 HB2 SER A 73 7.993 -6.712 13.709 1.00 40.21 H new ATOM 0 HB3 SER A 73 7.725 -7.940 12.489 1.00 40.21 H new ATOM 0 HG SER A 73 10.236 -7.967 12.497 1.00 23.25 H new ATOM 1116 N ASP A 74 8.505 -6.624 9.401 1.00 35.14 N ATOM 1117 CA ASP A 74 8.743 -7.302 8.135 1.00 21.22 C ATOM 1118 C ASP A 74 9.160 -6.291 7.079 1.00 13.51 C ATOM 1119 O ASP A 74 9.019 -6.529 5.881 1.00 61.35 O ATOM 1120 CB ASP A 74 7.469 -8.024 7.683 1.00 55.11 C ATOM 1121 CG ASP A 74 6.835 -8.836 8.797 1.00 52.03 C ATOM 1122 OD1 ASP A 74 6.138 -8.235 9.647 1.00 31.11 O ATOM 1123 OD2 ASP A 74 7.039 -10.069 8.834 1.00 20.42 O ATOM 0 H ASP A 74 7.737 -5.953 9.374 1.00 35.14 H new ATOM 0 HA ASP A 74 9.541 -8.033 8.268 1.00 21.22 H new ATOM 0 HB2 ASP A 74 6.750 -7.291 7.318 1.00 55.11 H new ATOM 0 HB3 ASP A 74 7.705 -8.682 6.847 1.00 55.11 H new ATOM 1128 N ASP A 75 9.693 -5.168 7.543 1.00 1.20 N ATOM 1129 CA ASP A 75 10.063 -4.048 6.675 1.00 20.54 C ATOM 1130 C ASP A 75 10.998 -4.482 5.549 1.00 52.40 C ATOM 1131 O ASP A 75 10.821 -4.090 4.397 1.00 54.22 O ATOM 1132 CB ASP A 75 10.726 -2.941 7.501 1.00 21.44 C ATOM 1133 CG ASP A 75 11.949 -3.430 8.253 1.00 31.11 C ATOM 1134 OD1 ASP A 75 11.778 -4.074 9.309 1.00 14.23 O ATOM 1135 OD2 ASP A 75 13.082 -3.186 7.789 1.00 71.44 O ATOM 0 H ASP A 75 9.883 -5.004 8.532 1.00 1.20 H new ATOM 0 HA ASP A 75 9.147 -3.671 6.220 1.00 20.54 H new ATOM 0 HB2 ASP A 75 11.013 -2.122 6.841 1.00 21.44 H new ATOM 0 HB3 ASP A 75 10.003 -2.540 8.211 1.00 21.44 H new ATOM 1140 N SER A 76 11.977 -5.299 5.890 1.00 14.42 N ATOM 1141 CA SER A 76 12.975 -5.743 4.939 1.00 40.12 C ATOM 1142 C SER A 76 12.739 -7.200 4.544 1.00 1.42 C ATOM 1143 O SER A 76 13.667 -7.911 4.152 1.00 13.20 O ATOM 1144 CB SER A 76 14.356 -5.557 5.563 1.00 4.51 C ATOM 1145 OG SER A 76 14.269 -5.571 6.983 1.00 54.35 O ATOM 0 H SER A 76 12.101 -5.672 6.831 1.00 14.42 H new ATOM 0 HA SER A 76 12.906 -5.150 4.027 1.00 40.12 H new ATOM 0 HB2 SER A 76 15.023 -6.350 5.226 1.00 4.51 H new ATOM 0 HB3 SER A 76 14.788 -4.614 5.229 1.00 4.51 H new ATOM 0 HG SER A 76 13.914 -4.714 7.297 1.00 54.35 H new ATOM 1151 N ARG A 77 11.485 -7.635 4.630 1.00 33.45 N ATOM 1152 CA ARG A 77 11.129 -9.007 4.296 1.00 1.35 C ATOM 1153 C ARG A 77 9.939 -9.033 3.340 1.00 60.32 C ATOM 1154 O ARG A 77 9.147 -8.092 3.300 1.00 13.22 O ATOM 1155 CB ARG A 77 10.796 -9.807 5.562 1.00 3.11 C ATOM 1156 CG ARG A 77 11.863 -9.723 6.638 1.00 52.42 C ATOM 1157 CD ARG A 77 12.076 -11.062 7.324 1.00 62.41 C ATOM 1158 NE ARG A 77 10.832 -11.635 7.842 1.00 42.43 N ATOM 1159 CZ ARG A 77 10.782 -12.579 8.777 1.00 44.34 C ATOM 1160 NH1 ARG A 77 11.903 -13.054 9.305 1.00 35.30 N ATOM 1161 NH2 ARG A 77 9.611 -13.058 9.170 1.00 14.45 N ATOM 0 H ARG A 77 10.700 -7.056 4.928 1.00 33.45 H new ATOM 0 HA ARG A 77 11.987 -9.468 3.807 1.00 1.35 H new ATOM 0 HB2 ARG A 77 9.852 -9.446 5.971 1.00 3.11 H new ATOM 0 HB3 ARG A 77 10.648 -10.852 5.291 1.00 3.11 H new ATOM 0 HG2 ARG A 77 12.801 -9.388 6.195 1.00 52.42 H new ATOM 0 HG3 ARG A 77 11.575 -8.976 7.378 1.00 52.42 H new ATOM 0 HD2 ARG A 77 12.526 -11.760 6.618 1.00 62.41 H new ATOM 0 HD3 ARG A 77 12.783 -10.937 8.144 1.00 62.41 H new ATOM 0 HE ARG A 77 9.951 -11.289 7.463 1.00 42.43 H new ATOM 0 HH11 ARG A 77 12.806 -12.695 8.994 1.00 35.30 H new ATOM 0 HH12 ARG A 77 11.862 -13.778 10.022 1.00 35.30 H new ATOM 0 HH21 ARG A 77 8.749 -12.703 8.755 1.00 14.45 H new ATOM 0 HH22 ARG A 77 9.571 -13.782 9.887 1.00 14.45 H new ATOM 1175 N PRO A 78 9.811 -10.108 2.544 1.00 23.15 N ATOM 1176 CA PRO A 78 8.680 -10.280 1.630 1.00 0.11 C ATOM 1177 C PRO A 78 7.365 -10.493 2.377 1.00 52.10 C ATOM 1178 O PRO A 78 7.268 -11.349 3.260 1.00 24.44 O ATOM 1179 CB PRO A 78 9.049 -11.534 0.831 1.00 4.32 C ATOM 1180 CG PRO A 78 10.010 -12.272 1.697 1.00 54.22 C ATOM 1181 CD PRO A 78 10.765 -11.227 2.462 1.00 70.12 C ATOM 0 HA PRO A 78 8.520 -9.398 1.009 1.00 0.11 H new ATOM 0 HB2 PRO A 78 8.168 -12.138 0.615 1.00 4.32 H new ATOM 0 HB3 PRO A 78 9.500 -11.274 -0.127 1.00 4.32 H new ATOM 0 HG2 PRO A 78 9.486 -12.948 2.373 1.00 54.22 H new ATOM 0 HG3 PRO A 78 10.686 -12.881 1.098 1.00 54.22 H new ATOM 0 HD2 PRO A 78 11.053 -11.583 3.451 1.00 70.12 H new ATOM 0 HD3 PRO A 78 11.682 -10.937 1.948 1.00 70.12 H new ATOM 1189 N LEU A 79 6.351 -9.720 2.008 1.00 1.20 N ATOM 1190 CA LEU A 79 5.047 -9.791 2.661 1.00 24.51 C ATOM 1191 C LEU A 79 4.396 -11.160 2.448 1.00 21.34 C ATOM 1192 O LEU A 79 3.678 -11.660 3.316 1.00 62.43 O ATOM 1193 CB LEU A 79 4.129 -8.689 2.125 1.00 23.44 C ATOM 1194 CG LEU A 79 2.748 -8.607 2.782 1.00 51.02 C ATOM 1195 CD1 LEU A 79 2.873 -8.276 4.259 1.00 64.15 C ATOM 1196 CD2 LEU A 79 1.881 -7.577 2.075 1.00 24.11 C ATOM 0 H LEU A 79 6.406 -9.033 1.256 1.00 1.20 H new ATOM 0 HA LEU A 79 5.197 -9.647 3.731 1.00 24.51 H new ATOM 0 HB2 LEU A 79 4.630 -7.729 2.251 1.00 23.44 H new ATOM 0 HB3 LEU A 79 3.995 -8.841 1.054 1.00 23.44 H new ATOM 0 HG LEU A 79 2.269 -9.582 2.691 1.00 51.02 H new ATOM 0 HD11 LEU A 79 1.880 -8.223 4.705 1.00 64.15 H new ATOM 0 HD12 LEU A 79 3.454 -9.052 4.758 1.00 64.15 H new ATOM 0 HD13 LEU A 79 3.375 -7.316 4.375 1.00 64.15 H new ATOM 0 HD21 LEU A 79 0.904 -7.533 2.556 1.00 24.11 H new ATOM 0 HD22 LEU A 79 2.358 -6.599 2.132 1.00 24.11 H new ATOM 0 HD23 LEU A 79 1.759 -7.860 1.030 1.00 24.11 H new ATOM 1208 N GLY A 80 4.670 -11.767 1.300 1.00 64.40 N ATOM 1209 CA GLY A 80 4.078 -13.049 0.962 1.00 34.52 C ATOM 1210 C GLY A 80 4.565 -14.174 1.854 1.00 1.40 C ATOM 1211 O GLY A 80 3.932 -15.225 1.940 1.00 32.41 O ATOM 0 H GLY A 80 5.298 -11.390 0.590 1.00 64.40 H new ATOM 0 HA2 GLY A 80 2.993 -12.975 1.038 1.00 34.52 H new ATOM 0 HA3 GLY A 80 4.309 -13.288 -0.076 1.00 34.52 H new ATOM 1215 N PHE A 81 5.690 -13.954 2.523 1.00 14.45 N ATOM 1216 CA PHE A 81 6.249 -14.958 3.418 1.00 10.10 C ATOM 1217 C PHE A 81 5.467 -14.992 4.730 1.00 32.23 C ATOM 1218 O PHE A 81 5.398 -16.021 5.403 1.00 5.42 O ATOM 1219 CB PHE A 81 7.732 -14.670 3.683 1.00 3.51 C ATOM 1220 CG PHE A 81 8.413 -15.713 4.524 1.00 11.21 C ATOM 1221 CD1 PHE A 81 8.758 -16.941 3.982 1.00 24.03 C ATOM 1222 CD2 PHE A 81 8.707 -15.465 5.855 1.00 33.15 C ATOM 1223 CE1 PHE A 81 9.384 -17.902 4.752 1.00 51.45 C ATOM 1224 CE2 PHE A 81 9.332 -16.423 6.631 1.00 30.51 C ATOM 1225 CZ PHE A 81 9.671 -17.643 6.077 1.00 74.22 C ATOM 0 H PHE A 81 6.232 -13.092 2.463 1.00 14.45 H new ATOM 0 HA PHE A 81 6.168 -15.935 2.941 1.00 10.10 H new ATOM 0 HB2 PHE A 81 8.253 -14.590 2.729 1.00 3.51 H new ATOM 0 HB3 PHE A 81 7.822 -13.703 4.178 1.00 3.51 H new ATOM 0 HD1 PHE A 81 8.535 -17.149 2.946 1.00 24.03 H new ATOM 0 HD2 PHE A 81 8.445 -14.512 6.291 1.00 33.15 H new ATOM 0 HE1 PHE A 81 9.649 -18.855 4.318 1.00 51.45 H new ATOM 0 HE2 PHE A 81 9.555 -16.219 7.668 1.00 30.51 H new ATOM 0 HZ PHE A 81 10.160 -18.393 6.681 1.00 74.22 H new ATOM 1235 N PHE A 82 4.855 -13.867 5.070 1.00 15.44 N ATOM 1236 CA PHE A 82 4.108 -13.747 6.313 1.00 35.34 C ATOM 1237 C PHE A 82 2.770 -14.474 6.212 1.00 42.13 C ATOM 1238 O PHE A 82 2.244 -14.954 7.216 1.00 54.14 O ATOM 1239 CB PHE A 82 3.884 -12.267 6.653 1.00 0.24 C ATOM 1240 CG PHE A 82 3.221 -12.046 7.987 1.00 24.33 C ATOM 1241 CD1 PHE A 82 3.945 -12.159 9.162 1.00 64.34 C ATOM 1242 CD2 PHE A 82 1.873 -11.725 8.060 1.00 64.11 C ATOM 1243 CE1 PHE A 82 3.340 -11.957 10.386 1.00 11.10 C ATOM 1244 CE2 PHE A 82 1.263 -11.523 9.284 1.00 64.03 C ATOM 1245 CZ PHE A 82 1.997 -11.639 10.449 1.00 2.34 C ATOM 0 H PHE A 82 4.861 -13.021 4.500 1.00 15.44 H new ATOM 0 HA PHE A 82 4.689 -14.210 7.111 1.00 35.34 H new ATOM 0 HB2 PHE A 82 4.845 -11.752 6.645 1.00 0.24 H new ATOM 0 HB3 PHE A 82 3.272 -11.813 5.873 1.00 0.24 H new ATOM 0 HD1 PHE A 82 4.995 -12.408 9.120 1.00 64.34 H new ATOM 0 HD2 PHE A 82 1.295 -11.632 7.152 1.00 64.11 H new ATOM 0 HE1 PHE A 82 3.917 -12.048 11.295 1.00 11.10 H new ATOM 0 HE2 PHE A 82 0.213 -11.275 9.330 1.00 64.03 H new ATOM 0 HZ PHE A 82 1.522 -11.482 11.406 1.00 2.34 H new ATOM 1255 N SER A 83 2.260 -14.588 4.985 1.00 41.14 N ATOM 1256 CA SER A 83 0.931 -15.144 4.731 1.00 34.04 C ATOM 1257 C SER A 83 -0.138 -14.245 5.361 1.00 12.21 C ATOM 1258 O SER A 83 -0.744 -14.586 6.379 1.00 1.24 O ATOM 1259 CB SER A 83 0.824 -16.583 5.263 1.00 64.31 C ATOM 1260 OG SER A 83 -0.339 -17.230 4.773 1.00 13.43 O ATOM 0 H SER A 83 2.755 -14.298 4.142 1.00 41.14 H new ATOM 0 HA SER A 83 0.768 -15.180 3.654 1.00 34.04 H new ATOM 0 HB2 SER A 83 1.708 -17.148 4.968 1.00 64.31 H new ATOM 0 HB3 SER A 83 0.803 -16.569 6.353 1.00 64.31 H new ATOM 0 HG SER A 83 -0.379 -18.143 5.127 1.00 13.43 H new ATOM 1266 N PRO A 84 -0.345 -13.054 4.776 1.00 52.32 N ATOM 1267 CA PRO A 84 -1.261 -12.054 5.298 1.00 63.21 C ATOM 1268 C PRO A 84 -2.628 -12.065 4.609 1.00 50.11 C ATOM 1269 O PRO A 84 -2.929 -12.946 3.803 1.00 11.43 O ATOM 1270 CB PRO A 84 -0.514 -10.767 4.963 1.00 74.45 C ATOM 1271 CG PRO A 84 0.188 -11.059 3.670 1.00 32.32 C ATOM 1272 CD PRO A 84 0.315 -12.565 3.558 1.00 50.31 C ATOM 0 HA PRO A 84 -1.494 -12.206 6.352 1.00 63.21 H new ATOM 0 HB2 PRO A 84 -1.200 -9.926 4.860 1.00 74.45 H new ATOM 0 HB3 PRO A 84 0.195 -10.505 5.748 1.00 74.45 H new ATOM 0 HG2 PRO A 84 -0.375 -10.657 2.828 1.00 32.32 H new ATOM 0 HG3 PRO A 84 1.171 -10.588 3.651 1.00 32.32 H new ATOM 0 HD2 PRO A 84 -0.170 -12.943 2.658 1.00 50.31 H new ATOM 0 HD3 PRO A 84 1.358 -12.878 3.513 1.00 50.31 H new ATOM 1280 N PHE A 85 -3.440 -11.069 4.935 1.00 61.10 N ATOM 1281 CA PHE A 85 -4.750 -10.903 4.323 1.00 61.44 C ATOM 1282 C PHE A 85 -4.629 -10.048 3.065 1.00 52.44 C ATOM 1283 O PHE A 85 -4.021 -8.976 3.090 1.00 12.32 O ATOM 1284 CB PHE A 85 -5.716 -10.253 5.322 1.00 3.24 C ATOM 1285 CG PHE A 85 -7.049 -9.887 4.738 1.00 74.31 C ATOM 1286 CD1 PHE A 85 -7.950 -10.867 4.364 1.00 72.42 C ATOM 1287 CD2 PHE A 85 -7.400 -8.559 4.565 1.00 23.41 C ATOM 1288 CE1 PHE A 85 -9.175 -10.531 3.824 1.00 64.24 C ATOM 1289 CE2 PHE A 85 -8.623 -8.215 4.028 1.00 20.25 C ATOM 1290 CZ PHE A 85 -9.514 -9.204 3.657 1.00 40.43 C ATOM 0 H PHE A 85 -3.210 -10.357 5.628 1.00 61.10 H new ATOM 0 HA PHE A 85 -5.143 -11.881 4.045 1.00 61.44 H new ATOM 0 HB2 PHE A 85 -5.873 -10.937 6.156 1.00 3.24 H new ATOM 0 HB3 PHE A 85 -5.251 -9.355 5.729 1.00 3.24 H new ATOM 0 HD1 PHE A 85 -7.692 -11.907 4.496 1.00 72.42 H new ATOM 0 HD2 PHE A 85 -6.707 -7.782 4.854 1.00 23.41 H new ATOM 0 HE1 PHE A 85 -9.868 -11.306 3.532 1.00 64.24 H new ATOM 0 HE2 PHE A 85 -8.884 -7.175 3.898 1.00 20.25 H new ATOM 0 HZ PHE A 85 -10.473 -8.939 3.237 1.00 40.43 H new ATOM 1300 N ASP A 86 -5.206 -10.521 1.970 1.00 64.34 N ATOM 1301 CA ASP A 86 -5.141 -9.801 0.706 1.00 1.35 C ATOM 1302 C ASP A 86 -6.228 -8.736 0.634 1.00 33.33 C ATOM 1303 O ASP A 86 -7.362 -9.006 0.233 1.00 12.32 O ATOM 1304 CB ASP A 86 -5.266 -10.764 -0.480 1.00 32.02 C ATOM 1305 CG ASP A 86 -5.164 -10.055 -1.817 1.00 61.03 C ATOM 1306 OD1 ASP A 86 -4.049 -9.627 -2.188 1.00 33.44 O ATOM 1307 OD2 ASP A 86 -6.192 -9.937 -2.518 1.00 72.54 O ATOM 0 H ASP A 86 -5.724 -11.399 1.931 1.00 64.34 H new ATOM 0 HA ASP A 86 -4.169 -9.311 0.652 1.00 1.35 H new ATOM 0 HB2 ASP A 86 -4.485 -11.521 -0.413 1.00 32.02 H new ATOM 0 HB3 ASP A 86 -6.221 -11.286 -0.421 1.00 32.02 H new ATOM 1312 N GLY A 87 -5.884 -7.533 1.065 1.00 0.44 N ATOM 1313 CA GLY A 87 -6.813 -6.428 0.986 1.00 43.25 C ATOM 1314 C GLY A 87 -6.736 -5.511 2.188 1.00 73.23 C ATOM 1315 O GLY A 87 -7.761 -5.191 2.793 1.00 50.43 O ATOM 0 H GLY A 87 -4.976 -7.302 1.469 1.00 0.44 H new ATOM 0 HA2 GLY A 87 -6.611 -5.853 0.082 1.00 43.25 H new ATOM 0 HA3 GLY A 87 -7.827 -6.817 0.896 1.00 43.25 H new ATOM 1319 N PHE A 88 -5.525 -5.084 2.529 1.00 55.33 N ATOM 1320 CA PHE A 88 -5.325 -4.176 3.652 1.00 14.54 C ATOM 1321 C PHE A 88 -5.709 -2.750 3.269 1.00 73.41 C ATOM 1322 O PHE A 88 -5.889 -2.440 2.086 1.00 50.44 O ATOM 1323 CB PHE A 88 -3.870 -4.203 4.128 1.00 35.01 C ATOM 1324 CG PHE A 88 -3.454 -5.494 4.771 1.00 31.53 C ATOM 1325 CD1 PHE A 88 -4.115 -5.969 5.890 1.00 31.20 C ATOM 1326 CD2 PHE A 88 -2.389 -6.221 4.267 1.00 2.35 C ATOM 1327 CE1 PHE A 88 -3.725 -7.148 6.495 1.00 51.15 C ATOM 1328 CE2 PHE A 88 -1.993 -7.402 4.865 1.00 43.11 C ATOM 1329 CZ PHE A 88 -2.662 -7.866 5.982 1.00 62.00 C ATOM 0 H PHE A 88 -4.668 -5.352 2.044 1.00 55.33 H new ATOM 0 HA PHE A 88 -5.968 -4.513 4.465 1.00 14.54 H new ATOM 0 HB2 PHE A 88 -3.218 -4.008 3.277 1.00 35.01 H new ATOM 0 HB3 PHE A 88 -3.717 -3.391 4.839 1.00 35.01 H new ATOM 0 HD1 PHE A 88 -4.946 -5.411 6.295 1.00 31.20 H new ATOM 0 HD2 PHE A 88 -1.862 -5.861 3.396 1.00 2.35 H new ATOM 0 HE1 PHE A 88 -4.250 -7.508 7.367 1.00 51.15 H new ATOM 0 HE2 PHE A 88 -1.162 -7.961 4.460 1.00 43.11 H new ATOM 0 HZ PHE A 88 -2.354 -8.788 6.453 1.00 62.00 H new ATOM 1339 N ARG A 89 -5.817 -1.884 4.268 1.00 32.53 N ATOM 1340 CA ARG A 89 -6.209 -0.499 4.048 1.00 63.04 C ATOM 1341 C ARG A 89 -5.051 0.448 4.326 1.00 1.35 C ATOM 1342 O ARG A 89 -4.637 0.612 5.472 1.00 33.43 O ATOM 1343 CB ARG A 89 -7.378 -0.122 4.958 1.00 34.54 C ATOM 1344 CG ARG A 89 -8.648 -0.914 4.706 1.00 21.54 C ATOM 1345 CD ARG A 89 -9.252 -0.596 3.351 1.00 1.44 C ATOM 1346 NE ARG A 89 -10.599 -1.140 3.222 1.00 20.44 N ATOM 1347 CZ ARG A 89 -11.658 -0.414 2.876 1.00 52.30 C ATOM 1348 NH1 ARG A 89 -11.522 0.890 2.648 1.00 33.14 N ATOM 1349 NH2 ARG A 89 -12.847 -0.990 2.771 1.00 12.45 N ATOM 0 H ARG A 89 -5.637 -2.119 5.244 1.00 32.53 H new ATOM 0 HA ARG A 89 -6.507 -0.407 3.004 1.00 63.04 H new ATOM 0 HB2 ARG A 89 -7.076 -0.264 5.996 1.00 34.54 H new ATOM 0 HB3 ARG A 89 -7.594 0.939 4.831 1.00 34.54 H new ATOM 0 HG2 ARG A 89 -8.429 -1.980 4.765 1.00 21.54 H new ATOM 0 HG3 ARG A 89 -9.375 -0.694 5.488 1.00 21.54 H new ATOM 0 HD2 ARG A 89 -9.280 0.484 3.209 1.00 1.44 H new ATOM 0 HD3 ARG A 89 -8.617 -1.004 2.564 1.00 1.44 H new ATOM 0 HE ARG A 89 -10.737 -2.133 3.408 1.00 20.44 H new ATOM 0 HH11 ARG A 89 -10.607 1.331 2.739 1.00 33.14 H new ATOM 0 HH12 ARG A 89 -12.333 1.449 2.382 1.00 33.14 H new ATOM 0 HH21 ARG A 89 -12.948 -1.988 2.955 1.00 12.45 H new ATOM 0 HH22 ARG A 89 -13.661 -0.435 2.506 1.00 12.45 H new ATOM 1363 N LEU A 90 -4.529 1.064 3.281 1.00 34.54 N ATOM 1364 CA LEU A 90 -3.499 2.079 3.436 1.00 3.02 C ATOM 1365 C LEU A 90 -4.141 3.452 3.577 1.00 34.43 C ATOM 1366 O LEU A 90 -4.351 4.149 2.585 1.00 22.34 O ATOM 1367 CB LEU A 90 -2.546 2.067 2.235 1.00 21.14 C ATOM 1368 CG LEU A 90 -1.755 0.772 2.040 1.00 72.32 C ATOM 1369 CD1 LEU A 90 -0.979 0.809 0.733 1.00 62.32 C ATOM 1370 CD2 LEU A 90 -0.804 0.550 3.206 1.00 44.33 C ATOM 0 H LEU A 90 -4.800 0.880 2.315 1.00 34.54 H new ATOM 0 HA LEU A 90 -2.925 1.858 4.336 1.00 3.02 H new ATOM 0 HB2 LEU A 90 -3.124 2.259 1.331 1.00 21.14 H new ATOM 0 HB3 LEU A 90 -1.841 2.891 2.344 1.00 21.14 H new ATOM 0 HG LEU A 90 -2.462 -0.057 2.001 1.00 72.32 H new ATOM 0 HD11 LEU A 90 -0.423 -0.121 0.613 1.00 62.32 H new ATOM 0 HD12 LEU A 90 -1.673 0.927 -0.099 1.00 62.32 H new ATOM 0 HD13 LEU A 90 -0.283 1.648 0.746 1.00 62.32 H new ATOM 0 HD21 LEU A 90 -0.249 -0.375 3.052 1.00 44.33 H new ATOM 0 HD22 LEU A 90 -0.106 1.385 3.271 1.00 44.33 H new ATOM 0 HD23 LEU A 90 -1.374 0.481 4.132 1.00 44.33 H new ATOM 1382 N HIS A 91 -4.494 3.831 4.802 1.00 43.45 N ATOM 1383 CA HIS A 91 -5.157 5.107 5.028 1.00 12.43 C ATOM 1384 C HIS A 91 -4.139 6.235 5.065 1.00 12.24 C ATOM 1385 O HIS A 91 -3.409 6.399 6.044 1.00 55.51 O ATOM 1386 CB HIS A 91 -5.983 5.089 6.320 1.00 1.44 C ATOM 1387 CG HIS A 91 -6.872 6.290 6.482 1.00 11.12 C ATOM 1388 ND1 HIS A 91 -6.913 7.062 7.627 1.00 53.24 N ATOM 1389 CD2 HIS A 91 -7.779 6.837 5.636 1.00 22.33 C ATOM 1390 CE1 HIS A 91 -7.804 8.026 7.473 1.00 22.25 C ATOM 1391 NE2 HIS A 91 -8.342 7.911 6.275 1.00 42.25 N ATOM 0 H HIS A 91 -4.333 3.278 5.644 1.00 43.45 H new ATOM 0 HA HIS A 91 -5.842 5.278 4.197 1.00 12.43 H new ATOM 0 HB2 HIS A 91 -6.597 4.188 6.337 1.00 1.44 H new ATOM 0 HB3 HIS A 91 -5.307 5.030 7.173 1.00 1.44 H new ATOM 0 HD1 HIS A 91 -6.345 6.912 8.461 1.00 53.24 H new ATOM 0 HD2 HIS A 91 -8.015 6.490 4.641 1.00 22.33 H new ATOM 0 HE1 HIS A 91 -8.050 8.781 8.205 1.00 22.25 H new ATOM 1400 N ILE A 92 -4.098 7.002 3.991 1.00 35.20 N ATOM 1401 CA ILE A 92 -3.182 8.122 3.883 1.00 23.42 C ATOM 1402 C ILE A 92 -3.817 9.376 4.464 1.00 2.34 C ATOM 1403 O ILE A 92 -4.801 9.886 3.922 1.00 23.42 O ATOM 1404 CB ILE A 92 -2.792 8.394 2.415 1.00 33.01 C ATOM 1405 CG1 ILE A 92 -2.218 7.127 1.768 1.00 42.31 C ATOM 1406 CG2 ILE A 92 -1.793 9.544 2.333 1.00 14.11 C ATOM 1407 CD1 ILE A 92 -1.874 7.296 0.304 1.00 11.21 C ATOM 0 H ILE A 92 -4.694 6.868 3.174 1.00 35.20 H new ATOM 0 HA ILE A 92 -2.283 7.864 4.442 1.00 23.42 H new ATOM 0 HB ILE A 92 -3.689 8.681 1.865 1.00 33.01 H new ATOM 0 HG12 ILE A 92 -1.322 6.826 2.311 1.00 42.31 H new ATOM 0 HG13 ILE A 92 -2.940 6.317 1.872 1.00 42.31 H new ATOM 0 HG21 ILE A 92 -1.529 9.723 1.291 1.00 14.11 H new ATOM 0 HG22 ILE A 92 -2.240 10.445 2.754 1.00 14.11 H new ATOM 0 HG23 ILE A 92 -0.896 9.287 2.896 1.00 14.11 H new ATOM 0 HD11 ILE A 92 -1.474 6.360 -0.086 1.00 11.21 H new ATOM 0 HD12 ILE A 92 -2.772 7.566 -0.252 1.00 11.21 H new ATOM 0 HD13 ILE A 92 -1.128 8.083 0.194 1.00 11.21 H new ATOM 1419 N ILE A 93 -3.272 9.852 5.573 1.00 51.44 N ATOM 1420 CA ILE A 93 -3.735 11.092 6.177 1.00 41.43 C ATOM 1421 C ILE A 93 -3.309 12.271 5.311 1.00 13.55 C ATOM 1422 O ILE A 93 -2.136 12.407 4.972 1.00 42.14 O ATOM 1423 CB ILE A 93 -3.173 11.278 7.609 1.00 53.11 C ATOM 1424 CG1 ILE A 93 -3.602 10.117 8.513 1.00 64.54 C ATOM 1425 CG2 ILE A 93 -3.627 12.608 8.198 1.00 0.54 C ATOM 1426 CD1 ILE A 93 -5.100 9.996 8.680 1.00 23.32 C ATOM 0 H ILE A 93 -2.508 9.398 6.073 1.00 51.44 H new ATOM 0 HA ILE A 93 -4.822 11.045 6.244 1.00 41.43 H new ATOM 0 HB ILE A 93 -2.085 11.283 7.549 1.00 53.11 H new ATOM 0 HG12 ILE A 93 -3.215 9.185 8.100 1.00 64.54 H new ATOM 0 HG13 ILE A 93 -3.145 10.245 9.494 1.00 64.54 H new ATOM 0 HG21 ILE A 93 -3.221 12.718 9.204 1.00 0.54 H new ATOM 0 HG22 ILE A 93 -3.269 13.425 7.571 1.00 0.54 H new ATOM 0 HG23 ILE A 93 -4.716 12.634 8.241 1.00 0.54 H new ATOM 0 HD11 ILE A 93 -5.326 9.153 9.332 1.00 23.32 H new ATOM 0 HD12 ILE A 93 -5.492 10.912 9.122 1.00 23.32 H new ATOM 0 HD13 ILE A 93 -5.563 9.836 7.706 1.00 23.32 H new ATOM 1438 N ASP A 94 -4.262 13.107 4.935 1.00 3.21 N ATOM 1439 CA ASP A 94 -3.958 14.268 4.115 1.00 52.14 C ATOM 1440 C ASP A 94 -3.444 15.416 4.963 1.00 24.15 C ATOM 1441 O ASP A 94 -4.221 16.194 5.518 1.00 24.11 O ATOM 1442 CB ASP A 94 -5.181 14.712 3.307 1.00 41.23 C ATOM 1443 CG ASP A 94 -5.347 13.912 2.034 1.00 41.50 C ATOM 1444 OD1 ASP A 94 -4.474 14.020 1.144 1.00 53.32 O ATOM 1445 OD2 ASP A 94 -6.343 13.162 1.915 1.00 4.11 O ATOM 0 H ASP A 94 -5.246 13.005 5.182 1.00 3.21 H new ATOM 0 HA ASP A 94 -3.173 13.977 3.416 1.00 52.14 H new ATOM 0 HB2 ASP A 94 -6.077 14.607 3.919 1.00 41.23 H new ATOM 0 HB3 ASP A 94 -5.086 15.769 3.060 1.00 41.23 H new ATOM 1450 N LEU A 95 -2.129 15.492 5.088 1.00 11.04 N ATOM 1451 CA LEU A 95 -1.489 16.578 5.812 1.00 54.55 C ATOM 1452 C LEU A 95 -0.300 17.107 5.018 1.00 32.13 C ATOM 1453 O LEU A 95 0.516 17.873 5.532 1.00 34.50 O ATOM 1454 CB LEU A 95 -1.040 16.126 7.214 1.00 44.34 C ATOM 1455 CG LEU A 95 0.236 15.266 7.286 1.00 15.31 C ATOM 1456 CD1 LEU A 95 0.685 15.113 8.732 1.00 64.03 C ATOM 1457 CD2 LEU A 95 0.021 13.892 6.672 1.00 54.23 C ATOM 0 H LEU A 95 -1.481 14.810 4.695 1.00 11.04 H new ATOM 0 HA LEU A 95 -2.218 17.379 5.937 1.00 54.55 H new ATOM 0 HB2 LEU A 95 -0.886 17.015 7.826 1.00 44.34 H new ATOM 0 HB3 LEU A 95 -1.856 15.564 7.668 1.00 44.34 H new ATOM 0 HG LEU A 95 1.010 15.777 6.713 1.00 15.31 H new ATOM 0 HD11 LEU A 95 1.588 14.503 8.770 1.00 64.03 H new ATOM 0 HD12 LEU A 95 0.893 16.096 9.154 1.00 64.03 H new ATOM 0 HD13 LEU A 95 -0.104 14.630 9.309 1.00 64.03 H new ATOM 0 HD21 LEU A 95 0.943 13.314 6.741 1.00 54.23 H new ATOM 0 HD22 LEU A 95 -0.773 13.374 7.209 1.00 54.23 H new ATOM 0 HD23 LEU A 95 -0.261 14.002 5.625 1.00 54.23 H new ATOM 1469 N ASP A 96 -0.224 16.711 3.753 1.00 31.24 N ATOM 1470 CA ASP A 96 0.880 17.108 2.885 1.00 13.54 C ATOM 1471 C ASP A 96 0.626 18.487 2.287 1.00 53.41 C ATOM 1472 O ASP A 96 -0.335 18.682 1.540 1.00 23.15 O ATOM 1473 CB ASP A 96 1.080 16.077 1.772 1.00 5.23 C ATOM 1474 CG ASP A 96 2.169 16.472 0.795 1.00 25.44 C ATOM 1475 OD1 ASP A 96 3.352 16.516 1.201 1.00 10.05 O ATOM 1476 OD2 ASP A 96 1.854 16.733 -0.386 1.00 72.50 O ATOM 0 H ASP A 96 -0.917 16.113 3.303 1.00 31.24 H new ATOM 0 HA ASP A 96 1.788 17.155 3.486 1.00 13.54 H new ATOM 0 HB2 ASP A 96 1.329 15.113 2.216 1.00 5.23 H new ATOM 0 HB3 ASP A 96 0.143 15.946 1.231 1.00 5.23 H new ATOM 1481 N PRO A 97 1.472 19.466 2.636 1.00 1.33 N ATOM 1482 CA PRO A 97 1.341 20.848 2.172 1.00 72.55 C ATOM 1483 C PRO A 97 1.733 21.009 0.707 1.00 2.53 C ATOM 1484 O PRO A 97 2.947 21.047 0.407 1.00 36.04 O ATOM 1485 CB PRO A 97 2.309 21.634 3.073 1.00 64.55 C ATOM 1486 CG PRO A 97 2.746 20.676 4.130 1.00 71.04 C ATOM 1487 CD PRO A 97 2.627 19.311 3.525 1.00 72.30 C ATOM 1488 OXT PRO A 97 0.824 21.113 -0.142 1.00 36.04 O ATOM 0 HA PRO A 97 0.309 21.194 2.233 1.00 72.55 H new ATOM 0 HB2 PRO A 97 3.161 22.003 2.503 1.00 64.55 H new ATOM 0 HB3 PRO A 97 1.818 22.503 3.511 1.00 64.55 H new ATOM 0 HG2 PRO A 97 3.772 20.878 4.439 1.00 71.04 H new ATOM 0 HG3 PRO A 97 2.122 20.764 5.019 1.00 71.04 H new ATOM 0 HD2 PRO A 97 3.527 19.028 2.978 1.00 72.30 H new ATOM 0 HD3 PRO A 97 2.459 18.544 4.281 1.00 72.30 H new TER 1496 PRO A 97