USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.0819 (180deg=-1.06) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.91) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0532 (180deg=-0.823) USER MOD Single : A 11 SER OG : rot -61:sc= 1.17 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.11 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00479 USER MOD Single : A 25 HIS : no HD1:sc= -3.47 K(o=-3.5,f=-5.9!) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.175 F(o=-0.72,f=-0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 120:sc= -0.102 USER MOD Single : A 38 ASN : amide:sc= -0.428 K(o=-0.43,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.106 (180deg=-1.02) USER MOD Single : A 45 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.5!) USER MOD Single : A 46 ASN : amide:sc= -0.818 X(o=-0.82,f=-0.44) USER MOD Single : A 48 TYR OH : rot -30:sc= -2.28! USER MOD Single : A 52 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.41) USER MOD Single : A 55 THR OG1 : rot 74:sc= 0.716 USER MOD Single : A 59 SER OG : rot 180:sc= -0.222 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0594 K(o=-0.059,f=-1.8!) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.0388 (180deg=-0.749) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.604 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.258 -27.544 -30.640 1.00 0.00 N ATOM 2 CA MET A 1 -9.013 -27.532 -31.462 1.00 0.00 C ATOM 3 C MET A 1 -7.786 -27.354 -30.561 1.00 0.00 C ATOM 4 O MET A 1 -7.895 -27.323 -29.350 1.00 0.00 O ATOM 5 CB MET A 1 -9.167 -26.337 -32.413 1.00 0.00 C ATOM 6 CG MET A 1 -9.353 -25.047 -31.607 1.00 0.00 C ATOM 7 SD MET A 1 -9.366 -23.630 -32.732 1.00 0.00 S ATOM 8 CE MET A 1 -9.367 -22.339 -31.463 1.00 0.00 C ATOM 0 H1 MET A 1 -11.018 -27.056 -31.155 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.542 -28.527 -30.454 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.083 -27.058 -29.738 1.00 0.00 H new ATOM 0 HA MET A 1 -8.872 -28.465 -32.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.287 -26.253 -33.051 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.023 -26.492 -33.070 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.286 -25.088 -31.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.548 -24.940 -30.880 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.375 -21.359 -31.941 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.253 -22.445 -30.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.474 -22.435 -30.846 1.00 0.00 H new ATOM 20 N GLY A 2 -6.622 -27.236 -31.148 1.00 0.00 N ATOM 21 CA GLY A 2 -5.382 -27.061 -30.336 1.00 0.00 C ATOM 22 C GLY A 2 -5.148 -28.307 -29.483 1.00 0.00 C ATOM 23 O GLY A 2 -5.212 -29.422 -29.968 1.00 0.00 O ATOM 0 H GLY A 2 -6.478 -27.254 -32.158 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.527 -26.890 -30.991 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.474 -26.183 -29.697 1.00 0.00 H new ATOM 27 N ASN A 3 -4.878 -28.126 -28.216 1.00 0.00 N ATOM 28 CA ASN A 3 -4.636 -29.296 -27.320 1.00 0.00 C ATOM 29 C ASN A 3 -5.874 -29.567 -26.458 1.00 0.00 C ATOM 30 O ASN A 3 -6.551 -28.653 -26.024 1.00 0.00 O ATOM 31 CB ASN A 3 -3.451 -28.884 -26.446 1.00 0.00 C ATOM 32 CG ASN A 3 -2.180 -28.823 -27.298 1.00 0.00 C ATOM 33 OD1 ASN A 3 -2.110 -29.422 -28.355 1.00 0.00 O ATOM 34 ND2 ASN A 3 -1.164 -28.118 -26.882 1.00 0.00 N ATOM 0 H ASN A 3 -4.815 -27.215 -27.762 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.433 -30.210 -27.877 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.643 -27.912 -25.991 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.321 -29.597 -25.632 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.313 -28.070 -27.442 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.221 -27.615 -25.996 1.00 0.00 H new ATOM 41 N LYS A 4 -6.173 -30.818 -26.210 1.00 0.00 N ATOM 42 CA LYS A 4 -7.367 -31.158 -25.378 1.00 0.00 C ATOM 43 C LYS A 4 -6.931 -31.532 -23.958 1.00 0.00 C ATOM 44 O LYS A 4 -5.885 -32.122 -23.760 1.00 0.00 O ATOM 45 CB LYS A 4 -8.006 -32.358 -26.078 1.00 0.00 C ATOM 46 CG LYS A 4 -8.548 -31.927 -27.442 1.00 0.00 C ATOM 47 CD LYS A 4 -9.093 -33.146 -28.188 1.00 0.00 C ATOM 48 CE LYS A 4 -10.445 -33.549 -27.595 1.00 0.00 C ATOM 49 NZ LYS A 4 -10.985 -34.575 -28.530 1.00 0.00 N ATOM 0 H LYS A 4 -5.640 -31.619 -26.549 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.061 -30.322 -25.287 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.271 -33.153 -26.202 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.812 -32.762 -25.466 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.336 -31.185 -27.313 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.758 -31.455 -28.026 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.203 -32.917 -29.248 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.390 -33.975 -28.113 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.330 -33.953 -26.589 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.114 -32.692 -27.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.912 -34.901 -28.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.090 -34.160 -29.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.330 -35.382 -28.576 1.00 0.00 H new ATOM 63 N GLN A 5 -7.724 -31.190 -22.973 1.00 0.00 N ATOM 64 CA GLN A 5 -7.355 -31.521 -21.563 1.00 0.00 C ATOM 65 C GLN A 5 -8.345 -32.533 -20.979 1.00 0.00 C ATOM 66 O GLN A 5 -8.877 -32.343 -19.901 1.00 0.00 O ATOM 67 CB GLN A 5 -7.438 -30.192 -20.809 1.00 0.00 C ATOM 68 CG GLN A 5 -6.796 -30.348 -19.429 1.00 0.00 C ATOM 69 CD GLN A 5 -5.287 -30.537 -19.594 1.00 0.00 C ATOM 70 OE1 GLN A 5 -4.661 -29.852 -20.379 1.00 0.00 O ATOM 71 NE2 GLN A 5 -4.674 -31.447 -18.888 1.00 0.00 N ATOM 0 H GLN A 5 -8.610 -30.697 -23.085 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.364 -31.970 -21.491 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.929 -29.410 -21.372 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.479 -29.885 -20.705 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.000 -29.468 -18.819 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.227 -31.204 -18.909 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.200 -32.022 -18.229 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.669 -31.584 -18.995 1.00 0.00 H new ATOM 80 N ALA A 6 -8.595 -33.606 -21.685 1.00 0.00 N ATOM 81 CA ALA A 6 -9.551 -34.638 -21.177 1.00 0.00 C ATOM 82 C ALA A 6 -9.024 -35.252 -19.877 1.00 0.00 C ATOM 83 O ALA A 6 -9.788 -35.656 -19.020 1.00 0.00 O ATOM 84 CB ALA A 6 -9.629 -35.697 -22.279 1.00 0.00 C ATOM 0 H ALA A 6 -8.178 -33.813 -22.593 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.531 -34.215 -20.956 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.314 -36.488 -21.975 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.990 -35.238 -23.200 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.639 -36.120 -22.448 1.00 0.00 H new ATOM 90 N LYS A 7 -7.725 -35.327 -19.730 1.00 0.00 N ATOM 91 CA LYS A 7 -7.140 -35.920 -18.486 1.00 0.00 C ATOM 92 C LYS A 7 -7.566 -35.108 -17.260 1.00 0.00 C ATOM 93 O LYS A 7 -7.964 -35.660 -16.250 1.00 0.00 O ATOM 94 CB LYS A 7 -5.623 -35.840 -18.676 1.00 0.00 C ATOM 95 CG LYS A 7 -4.927 -36.531 -17.502 1.00 0.00 C ATOM 96 CD LYS A 7 -3.413 -36.520 -17.728 1.00 0.00 C ATOM 97 CE LYS A 7 -2.718 -37.238 -16.567 1.00 0.00 C ATOM 98 NZ LYS A 7 -2.944 -36.366 -15.379 1.00 0.00 N ATOM 0 H LYS A 7 -7.044 -35.004 -20.417 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.477 -36.944 -18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.337 -36.316 -19.614 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.308 -34.798 -18.738 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.170 -36.021 -16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.284 -37.557 -17.406 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.172 -37.012 -18.670 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.053 -35.494 -17.803 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.137 -38.232 -16.411 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.654 -37.367 -16.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.192 -36.530 -14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.931 -35.369 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.867 -36.590 -14.954 1.00 0.00 H new ATOM 112 N ALA A 8 -7.488 -33.805 -17.341 1.00 0.00 N ATOM 113 CA ALA A 8 -7.890 -32.951 -16.182 1.00 0.00 C ATOM 114 C ALA A 8 -8.535 -31.648 -16.684 1.00 0.00 C ATOM 115 O ALA A 8 -7.914 -30.602 -16.650 1.00 0.00 O ATOM 116 CB ALA A 8 -6.588 -32.660 -15.433 1.00 0.00 C ATOM 0 H ALA A 8 -7.163 -33.294 -18.161 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.624 -33.439 -15.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.799 -32.035 -14.565 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.140 -33.598 -15.105 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.896 -32.139 -16.095 1.00 0.00 H new ATOM 122 N PRO A 9 -9.765 -31.746 -17.144 1.00 0.00 N ATOM 123 CA PRO A 9 -10.472 -30.545 -17.654 1.00 0.00 C ATOM 124 C PRO A 9 -10.821 -29.587 -16.509 1.00 0.00 C ATOM 125 O PRO A 9 -11.059 -28.413 -16.726 1.00 0.00 O ATOM 126 CB PRO A 9 -11.735 -31.115 -18.297 1.00 0.00 C ATOM 127 CG PRO A 9 -11.964 -32.419 -17.606 1.00 0.00 C ATOM 128 CD PRO A 9 -10.608 -32.951 -17.224 1.00 0.00 C ATOM 0 HA PRO A 9 -9.869 -29.964 -18.352 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.583 -30.443 -18.164 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.604 -31.254 -19.370 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.590 -32.285 -16.724 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.483 -33.118 -18.261 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.640 -33.480 -16.272 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.231 -33.654 -17.967 1.00 0.00 H new ATOM 136 N GLU A 10 -10.865 -30.081 -15.294 1.00 0.00 N ATOM 137 CA GLU A 10 -11.211 -29.199 -14.135 1.00 0.00 C ATOM 138 C GLU A 10 -10.146 -28.116 -13.941 1.00 0.00 C ATOM 139 O GLU A 10 -10.459 -26.946 -13.821 1.00 0.00 O ATOM 140 CB GLU A 10 -11.248 -30.127 -12.919 1.00 0.00 C ATOM 141 CG GLU A 10 -12.431 -31.094 -13.044 1.00 0.00 C ATOM 142 CD GLU A 10 -12.441 -32.084 -11.868 1.00 0.00 C ATOM 143 OE1 GLU A 10 -11.582 -31.977 -11.004 1.00 0.00 O ATOM 144 OE2 GLU A 10 -13.314 -32.936 -11.852 1.00 0.00 O ATOM 0 H GLU A 10 -10.677 -31.055 -15.056 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.160 -28.685 -14.290 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.315 -30.686 -12.847 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.340 -29.541 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.366 -30.534 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.365 -31.639 -13.986 1.00 0.00 H new ATOM 151 N SER A 11 -8.889 -28.495 -13.909 1.00 0.00 N ATOM 152 CA SER A 11 -7.791 -27.487 -13.720 1.00 0.00 C ATOM 153 C SER A 11 -8.084 -26.587 -12.505 1.00 0.00 C ATOM 154 O SER A 11 -7.643 -25.454 -12.440 1.00 0.00 O ATOM 155 CB SER A 11 -7.767 -26.676 -15.027 1.00 0.00 C ATOM 156 OG SER A 11 -8.628 -25.545 -14.919 1.00 0.00 O ATOM 0 H SER A 11 -8.574 -29.460 -14.006 1.00 0.00 H new ATOM 0 HA SER A 11 -6.827 -27.956 -13.521 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.750 -26.349 -15.242 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.083 -27.305 -15.860 1.00 0.00 H new ATOM 0 HG SER A 11 -9.547 -25.847 -14.761 1.00 0.00 H new ATOM 162 N LYS A 12 -8.836 -27.084 -11.554 1.00 0.00 N ATOM 163 CA LYS A 12 -9.180 -26.266 -10.349 1.00 0.00 C ATOM 164 C LYS A 12 -9.142 -27.125 -9.077 1.00 0.00 C ATOM 165 O LYS A 12 -9.083 -28.337 -9.139 1.00 0.00 O ATOM 166 CB LYS A 12 -10.605 -25.764 -10.617 1.00 0.00 C ATOM 167 CG LYS A 12 -11.553 -26.958 -10.787 1.00 0.00 C ATOM 168 CD LYS A 12 -12.958 -26.455 -11.119 1.00 0.00 C ATOM 169 CE LYS A 12 -13.897 -27.650 -11.301 1.00 0.00 C ATOM 170 NZ LYS A 12 -15.222 -27.052 -11.629 1.00 0.00 N ATOM 0 H LYS A 12 -9.228 -28.026 -11.560 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.474 -25.451 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.941 -25.136 -9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.620 -25.145 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.192 -27.611 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.575 -27.551 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.323 -25.810 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.936 -25.854 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.551 -28.306 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.949 -28.253 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.920 -27.810 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.529 -26.438 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.143 -26.490 -12.500 1.00 0.00 H new ATOM 184 N ASP A 13 -9.183 -26.501 -7.918 1.00 0.00 N ATOM 185 CA ASP A 13 -9.159 -27.268 -6.627 1.00 0.00 C ATOM 186 C ASP A 13 -7.923 -28.168 -6.572 1.00 0.00 C ATOM 187 O ASP A 13 -8.001 -29.332 -6.229 1.00 0.00 O ATOM 188 CB ASP A 13 -10.446 -28.104 -6.617 1.00 0.00 C ATOM 189 CG ASP A 13 -11.076 -28.067 -5.223 1.00 0.00 C ATOM 190 OD1 ASP A 13 -10.330 -28.058 -4.257 1.00 0.00 O ATOM 191 OD2 ASP A 13 -12.293 -28.051 -5.145 1.00 0.00 O ATOM 0 H ASP A 13 -9.232 -25.488 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.109 -26.608 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.149 -27.716 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.224 -29.133 -6.899 1.00 0.00 H new ATOM 196 N SER A 14 -6.778 -27.630 -6.915 1.00 0.00 N ATOM 197 CA SER A 14 -5.511 -28.431 -6.898 1.00 0.00 C ATOM 198 C SER A 14 -4.328 -27.548 -7.340 1.00 0.00 C ATOM 199 O SER A 14 -3.383 -27.379 -6.593 1.00 0.00 O ATOM 200 CB SER A 14 -5.739 -29.600 -7.882 1.00 0.00 C ATOM 201 OG SER A 14 -4.538 -29.894 -8.593 1.00 0.00 O ATOM 0 H SER A 14 -6.665 -26.660 -7.209 1.00 0.00 H new ATOM 0 HA SER A 14 -5.271 -28.804 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.071 -30.483 -7.336 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.531 -29.343 -8.585 1.00 0.00 H new ATOM 0 HG SER A 14 -4.697 -30.638 -9.211 1.00 0.00 H new ATOM 207 N PRO A 15 -4.401 -27.014 -8.543 1.00 0.00 N ATOM 208 CA PRO A 15 -3.298 -26.157 -9.049 1.00 0.00 C ATOM 209 C PRO A 15 -3.230 -24.831 -8.283 1.00 0.00 C ATOM 210 O PRO A 15 -2.201 -24.181 -8.251 1.00 0.00 O ATOM 211 CB PRO A 15 -3.656 -25.927 -10.516 1.00 0.00 C ATOM 212 CG PRO A 15 -5.134 -26.120 -10.585 1.00 0.00 C ATOM 213 CD PRO A 15 -5.487 -27.138 -9.535 1.00 0.00 C ATOM 0 HA PRO A 15 -2.318 -26.618 -8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.373 -24.925 -10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.135 -26.631 -11.165 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.656 -25.180 -10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.433 -26.465 -11.575 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.460 -26.932 -9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.534 -28.144 -9.953 1.00 0.00 H new ATOM 221 N ARG A 16 -4.314 -24.425 -7.673 1.00 0.00 N ATOM 222 CA ARG A 16 -4.313 -23.142 -6.913 1.00 0.00 C ATOM 223 C ARG A 16 -4.144 -23.394 -5.413 1.00 0.00 C ATOM 224 O ARG A 16 -4.166 -22.468 -4.626 1.00 0.00 O ATOM 225 CB ARG A 16 -5.681 -22.521 -7.193 1.00 0.00 C ATOM 226 CG ARG A 16 -5.791 -22.190 -8.682 1.00 0.00 C ATOM 227 CD ARG A 16 -7.198 -21.668 -8.988 1.00 0.00 C ATOM 228 NE ARG A 16 -7.315 -20.387 -8.232 1.00 0.00 N ATOM 229 CZ ARG A 16 -8.464 -19.775 -8.168 1.00 0.00 C ATOM 230 NH1 ARG A 16 -9.551 -20.455 -7.928 1.00 0.00 N ATOM 231 NH2 ARG A 16 -8.526 -18.484 -8.344 1.00 0.00 N ATOM 0 H ARG A 16 -5.201 -24.929 -7.669 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.490 -22.494 -7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.473 -23.212 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.812 -21.618 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.047 -21.442 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.584 -23.078 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.334 -21.508 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.959 -22.382 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.498 -19.991 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.501 -21.464 -7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.451 -19.977 -7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.675 -17.953 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.425 -18.005 -8.294 1.00 0.00 H new ATOM 245 N ALA A 17 -3.990 -24.636 -5.001 1.00 0.00 N ATOM 246 CA ALA A 17 -3.841 -24.937 -3.540 1.00 0.00 C ATOM 247 C ALA A 17 -5.002 -24.316 -2.754 1.00 0.00 C ATOM 248 O ALA A 17 -5.884 -23.695 -3.319 1.00 0.00 O ATOM 249 CB ALA A 17 -2.506 -24.308 -3.117 1.00 0.00 C ATOM 0 H ALA A 17 -3.961 -25.450 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.855 -26.009 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.337 -24.493 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.696 -24.751 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.537 -23.234 -3.298 1.00 0.00 H new ATOM 255 N SER A 18 -5.009 -24.478 -1.461 1.00 0.00 N ATOM 256 CA SER A 18 -6.112 -23.902 -0.631 1.00 0.00 C ATOM 257 C SER A 18 -5.537 -23.140 0.555 1.00 0.00 C ATOM 258 O SER A 18 -6.099 -23.157 1.633 1.00 0.00 O ATOM 259 CB SER A 18 -6.909 -25.109 -0.130 1.00 0.00 C ATOM 260 OG SER A 18 -7.208 -25.968 -1.221 1.00 0.00 O ATOM 0 H SER A 18 -4.296 -24.986 -0.938 1.00 0.00 H new ATOM 0 HA SER A 18 -6.727 -23.206 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.336 -25.648 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.831 -24.776 0.347 1.00 0.00 H new ATOM 0 HG SER A 18 -7.717 -26.741 -0.899 1.00 0.00 H new ATOM 266 N LEU A 19 -4.413 -22.497 0.391 1.00 0.00 N ATOM 267 CA LEU A 19 -3.812 -21.767 1.546 1.00 0.00 C ATOM 268 C LEU A 19 -4.110 -20.270 1.499 1.00 0.00 C ATOM 269 O LEU A 19 -4.115 -19.604 2.523 1.00 0.00 O ATOM 270 CB LEU A 19 -2.307 -22.054 1.458 1.00 0.00 C ATOM 271 CG LEU A 19 -1.899 -23.044 2.572 1.00 0.00 C ATOM 272 CD1 LEU A 19 -2.185 -22.414 3.944 1.00 0.00 C ATOM 273 CD2 LEU A 19 -2.722 -24.332 2.437 1.00 0.00 C ATOM 0 H LEU A 19 -3.889 -22.445 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.233 -22.102 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.063 -22.471 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.744 -21.126 1.559 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.837 -23.272 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.898 -23.111 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.612 -21.493 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.249 -22.191 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.435 -25.031 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.782 -24.098 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.534 -24.783 1.463 1.00 0.00 H new ATOM 285 N ILE A 20 -4.381 -19.743 0.338 1.00 0.00 N ATOM 286 CA ILE A 20 -4.715 -18.297 0.241 1.00 0.00 C ATOM 287 C ILE A 20 -5.855 -18.132 -0.775 1.00 0.00 C ATOM 288 O ILE A 20 -5.695 -17.496 -1.798 1.00 0.00 O ATOM 289 CB ILE A 20 -3.425 -17.588 -0.183 1.00 0.00 C ATOM 290 CG1 ILE A 20 -3.662 -16.078 -0.154 1.00 0.00 C ATOM 291 CG2 ILE A 20 -2.993 -18.020 -1.585 1.00 0.00 C ATOM 292 CD1 ILE A 20 -3.295 -15.527 1.227 1.00 0.00 C ATOM 0 H ILE A 20 -4.385 -20.251 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.064 -17.865 1.179 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.628 -17.858 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.062 -15.591 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.706 -15.859 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.075 -17.501 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.819 -19.096 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.777 -17.772 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.464 -14.450 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.914 -16.005 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.245 -15.733 1.433 1.00 0.00 H new ATOM 304 N PRO A 21 -6.982 -18.742 -0.449 1.00 0.00 N ATOM 305 CA PRO A 21 -8.164 -18.686 -1.340 1.00 0.00 C ATOM 306 C PRO A 21 -8.800 -17.303 -1.272 1.00 0.00 C ATOM 307 O PRO A 21 -8.574 -16.554 -0.340 1.00 0.00 O ATOM 308 CB PRO A 21 -9.099 -19.750 -0.771 1.00 0.00 C ATOM 309 CG PRO A 21 -8.720 -19.867 0.670 1.00 0.00 C ATOM 310 CD PRO A 21 -7.259 -19.524 0.771 1.00 0.00 C ATOM 0 HA PRO A 21 -7.925 -18.864 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.143 -19.458 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.977 -20.701 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.318 -19.191 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.905 -20.877 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.048 -18.946 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.642 -20.421 0.817 1.00 0.00 H new ATOM 318 N ASP A 22 -9.592 -16.957 -2.256 1.00 0.00 N ATOM 319 CA ASP A 22 -10.258 -15.615 -2.268 1.00 0.00 C ATOM 320 C ASP A 22 -9.215 -14.500 -2.123 1.00 0.00 C ATOM 321 O ASP A 22 -9.465 -13.481 -1.506 1.00 0.00 O ATOM 322 CB ASP A 22 -11.218 -15.623 -1.070 1.00 0.00 C ATOM 323 CG ASP A 22 -12.513 -16.364 -1.433 1.00 0.00 C ATOM 324 OD1 ASP A 22 -12.514 -17.087 -2.418 1.00 0.00 O ATOM 325 OD2 ASP A 22 -13.485 -16.192 -0.717 1.00 0.00 O ATOM 0 H ASP A 22 -9.808 -17.550 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.787 -15.431 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.742 -16.105 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.447 -14.600 -0.772 1.00 0.00 H new ATOM 330 N ALA A 23 -8.047 -14.693 -2.684 1.00 0.00 N ATOM 331 CA ALA A 23 -6.981 -13.652 -2.582 1.00 0.00 C ATOM 332 C ALA A 23 -6.260 -13.494 -3.922 1.00 0.00 C ATOM 333 O ALA A 23 -5.046 -13.430 -3.979 1.00 0.00 O ATOM 334 CB ALA A 23 -6.020 -14.176 -1.517 1.00 0.00 C ATOM 0 H ALA A 23 -7.787 -15.528 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.385 -12.673 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.204 -13.466 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.554 -14.300 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.615 -15.137 -1.834 1.00 0.00 H new ATOM 340 N THR A 24 -7.001 -13.434 -4.999 1.00 0.00 N ATOM 341 CA THR A 24 -6.366 -13.281 -6.345 1.00 0.00 C ATOM 342 C THR A 24 -5.642 -11.936 -6.437 1.00 0.00 C ATOM 343 O THR A 24 -4.552 -11.842 -6.968 1.00 0.00 O ATOM 344 CB THR A 24 -7.527 -13.335 -7.341 1.00 0.00 C ATOM 345 OG1 THR A 24 -8.519 -12.393 -6.958 1.00 0.00 O ATOM 346 CG2 THR A 24 -8.132 -14.740 -7.346 1.00 0.00 C ATOM 0 H THR A 24 -8.020 -13.484 -5.005 1.00 0.00 H new ATOM 0 HA THR A 24 -5.625 -14.055 -6.542 1.00 0.00 H new ATOM 0 HB THR A 24 -7.162 -13.095 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.263 -12.424 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.959 -14.778 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.370 -15.463 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.499 -14.982 -6.348 1.00 0.00 H new ATOM 354 N HIS A 25 -6.245 -10.898 -5.920 1.00 0.00 N ATOM 355 CA HIS A 25 -5.602 -9.549 -5.968 1.00 0.00 C ATOM 356 C HIS A 25 -4.326 -9.543 -5.117 1.00 0.00 C ATOM 357 O HIS A 25 -3.316 -8.982 -5.502 1.00 0.00 O ATOM 358 CB HIS A 25 -6.655 -8.574 -5.406 1.00 0.00 C ATOM 359 CG HIS A 25 -6.927 -8.869 -3.950 1.00 0.00 C ATOM 360 ND1 HIS A 25 -7.707 -9.943 -3.543 1.00 0.00 N ATOM 361 CD2 HIS A 25 -6.510 -8.252 -2.796 1.00 0.00 C ATOM 362 CE1 HIS A 25 -7.733 -9.941 -2.197 1.00 0.00 C ATOM 363 NE2 HIS A 25 -7.020 -8.932 -1.697 1.00 0.00 N ATOM 0 H HIS A 25 -7.158 -10.925 -5.465 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.303 -9.267 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.304 -7.548 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.579 -8.658 -5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.883 -7.374 -2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.265 -10.666 -1.598 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.878 -8.706 -0.712 1.00 0.00 H new ATOM 372 N LEU A 26 -4.369 -10.169 -3.970 1.00 0.00 N ATOM 373 CA LEU A 26 -3.166 -10.213 -3.094 1.00 0.00 C ATOM 374 C LEU A 26 -2.654 -11.650 -2.969 1.00 0.00 C ATOM 375 O LEU A 26 -3.217 -12.458 -2.255 1.00 0.00 O ATOM 376 CB LEU A 26 -3.645 -9.699 -1.737 1.00 0.00 C ATOM 377 CG LEU A 26 -3.484 -8.181 -1.681 1.00 0.00 C ATOM 378 CD1 LEU A 26 -4.165 -7.644 -0.421 1.00 0.00 C ATOM 379 CD2 LEU A 26 -1.990 -7.834 -1.644 1.00 0.00 C ATOM 0 H LEU A 26 -5.189 -10.652 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.345 -9.616 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.689 -9.971 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.071 -10.166 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.943 -7.729 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.051 -6.561 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.225 -7.897 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.705 -8.091 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.869 -6.752 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.534 -8.283 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.504 -8.221 -2.540 1.00 0.00 H new ATOM 391 N GLY A 27 -1.587 -11.966 -3.655 1.00 0.00 N ATOM 392 CA GLY A 27 -1.027 -13.349 -3.579 1.00 0.00 C ATOM 393 C GLY A 27 0.481 -13.278 -3.301 1.00 0.00 C ATOM 394 O GLY A 27 0.890 -13.252 -2.158 1.00 0.00 O ATOM 0 H GLY A 27 -1.078 -11.326 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.527 -13.912 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.210 -13.879 -4.514 1.00 0.00 H new ATOM 398 N PRO A 28 1.269 -13.253 -4.355 1.00 0.00 N ATOM 399 CA PRO A 28 2.741 -13.188 -4.184 1.00 0.00 C ATOM 400 C PRO A 28 3.151 -11.814 -3.663 1.00 0.00 C ATOM 401 O PRO A 28 2.573 -10.806 -4.027 1.00 0.00 O ATOM 402 CB PRO A 28 3.279 -13.424 -5.592 1.00 0.00 C ATOM 403 CG PRO A 28 2.176 -12.996 -6.502 1.00 0.00 C ATOM 404 CD PRO A 28 0.885 -13.272 -5.777 1.00 0.00 C ATOM 0 HA PRO A 28 3.124 -13.912 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.185 -12.845 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.534 -14.472 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.264 -11.937 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.216 -13.544 -7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.132 -12.515 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.463 -14.235 -6.064 1.00 0.00 H new ATOM 412 N GLN A 29 4.149 -11.766 -2.819 1.00 0.00 N ATOM 413 CA GLN A 29 4.604 -10.452 -2.280 1.00 0.00 C ATOM 414 C GLN A 29 6.108 -10.277 -2.496 1.00 0.00 C ATOM 415 O GLN A 29 6.923 -10.704 -1.701 1.00 0.00 O ATOM 416 CB GLN A 29 4.252 -10.453 -0.785 1.00 0.00 C ATOM 417 CG GLN A 29 4.792 -11.714 -0.096 1.00 0.00 C ATOM 418 CD GLN A 29 3.668 -12.742 0.043 1.00 0.00 C ATOM 419 OE1 GLN A 29 3.916 -13.997 -0.210 1.00 0.00 O flip ATOM 420 NE2 GLN A 29 2.553 -12.399 0.387 1.00 0.00 N flip ATOM 0 H GLN A 29 4.666 -12.578 -2.481 1.00 0.00 H new ATOM 0 HA GLN A 29 4.117 -9.621 -2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.670 -9.566 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.170 -10.401 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.614 -12.134 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.192 -11.462 0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.360 -11.417 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.811 -13.093 0.478 1.00 0.00 H new ATOM 429 N PHE A 30 6.469 -9.639 -3.573 1.00 0.00 N ATOM 430 CA PHE A 30 7.911 -9.391 -3.871 1.00 0.00 C ATOM 431 C PHE A 30 8.079 -7.951 -4.364 1.00 0.00 C ATOM 432 O PHE A 30 7.298 -7.478 -5.169 1.00 0.00 O ATOM 433 CB PHE A 30 8.266 -10.387 -4.975 1.00 0.00 C ATOM 434 CG PHE A 30 8.295 -11.780 -4.396 1.00 0.00 C ATOM 435 CD1 PHE A 30 7.118 -12.535 -4.329 1.00 0.00 C ATOM 436 CD2 PHE A 30 9.499 -12.316 -3.929 1.00 0.00 C ATOM 437 CE1 PHE A 30 7.146 -13.827 -3.791 1.00 0.00 C ATOM 438 CE2 PHE A 30 9.528 -13.608 -3.392 1.00 0.00 C ATOM 439 CZ PHE A 30 8.351 -14.364 -3.323 1.00 0.00 C ATOM 0 H PHE A 30 5.820 -9.273 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 30 8.554 -9.518 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.535 -10.331 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.236 -10.139 -5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.189 -12.121 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.407 -11.733 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.238 -14.409 -3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.458 -14.022 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.373 -15.361 -2.909 1.00 0.00 H new ATOM 449 N CYS A 31 9.083 -7.248 -3.895 1.00 0.00 N ATOM 450 CA CYS A 31 9.274 -5.840 -4.357 1.00 0.00 C ATOM 451 C CYS A 31 9.915 -5.842 -5.742 1.00 0.00 C ATOM 452 O CYS A 31 11.060 -6.216 -5.907 1.00 0.00 O ATOM 453 CB CYS A 31 10.205 -5.184 -3.333 1.00 0.00 C ATOM 454 SG CYS A 31 9.996 -3.383 -3.384 1.00 0.00 S ATOM 0 H CYS A 31 9.770 -7.585 -3.220 1.00 0.00 H new ATOM 0 HA CYS A 31 8.330 -5.300 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.983 -5.558 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.241 -5.446 -3.548 1.00 0.00 H new ATOM 459 N LYS A 32 9.182 -5.425 -6.735 1.00 0.00 N ATOM 460 CA LYS A 32 9.738 -5.390 -8.117 1.00 0.00 C ATOM 461 C LYS A 32 10.278 -3.989 -8.439 1.00 0.00 C ATOM 462 O LYS A 32 10.909 -3.786 -9.460 1.00 0.00 O ATOM 463 CB LYS A 32 8.552 -5.736 -9.022 1.00 0.00 C ATOM 464 CG LYS A 32 9.013 -5.828 -10.480 1.00 0.00 C ATOM 465 CD LYS A 32 9.969 -7.012 -10.640 1.00 0.00 C ATOM 466 CE LYS A 32 10.348 -7.168 -12.114 1.00 0.00 C ATOM 467 NZ LYS A 32 11.284 -8.328 -12.148 1.00 0.00 N ATOM 0 H LYS A 32 8.217 -5.105 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 32 10.569 -6.082 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.111 -6.683 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.776 -4.976 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.152 -5.951 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.510 -4.904 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.864 -6.854 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.498 -7.925 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.468 -7.352 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.823 -6.265 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.590 -8.499 -13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.115 -8.121 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.802 -9.174 -11.783 1.00 0.00 H new ATOM 481 N SER A 33 10.025 -3.014 -7.588 1.00 0.00 N ATOM 482 CA SER A 33 10.517 -1.634 -7.882 1.00 0.00 C ATOM 483 C SER A 33 12.028 -1.515 -7.646 1.00 0.00 C ATOM 484 O SER A 33 12.782 -1.292 -8.574 1.00 0.00 O ATOM 485 CB SER A 33 9.759 -0.737 -6.903 1.00 0.00 C ATOM 486 OG SER A 33 10.082 -1.124 -5.573 1.00 0.00 O ATOM 0 H SER A 33 9.506 -3.117 -6.716 1.00 0.00 H new ATOM 0 HA SER A 33 10.349 -1.361 -8.924 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.025 0.307 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.685 -0.822 -7.069 1.00 0.00 H new ATOM 0 HG SER A 33 10.491 -0.368 -5.102 1.00 0.00 H new ATOM 492 N CYS A 34 12.484 -1.663 -6.420 1.00 0.00 N ATOM 493 CA CYS A 34 13.955 -1.555 -6.158 1.00 0.00 C ATOM 494 C CYS A 34 14.693 -2.867 -6.487 1.00 0.00 C ATOM 495 O CYS A 34 15.749 -2.847 -7.083 1.00 0.00 O ATOM 496 CB CYS A 34 14.108 -1.143 -4.679 1.00 0.00 C ATOM 497 SG CYS A 34 13.572 -2.465 -3.566 1.00 0.00 S ATOM 0 H CYS A 34 11.907 -1.852 -5.600 1.00 0.00 H new ATOM 0 HA CYS A 34 14.414 -0.809 -6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 34 15.149 -0.894 -4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.522 -0.244 -4.488 1.00 0.00 H new ATOM 502 N TRP A 35 14.148 -4.005 -6.102 1.00 0.00 N ATOM 503 CA TRP A 35 14.820 -5.329 -6.380 1.00 0.00 C ATOM 504 C TRP A 35 14.081 -6.451 -5.646 1.00 0.00 C ATOM 505 O TRP A 35 13.252 -6.203 -4.791 1.00 0.00 O ATOM 506 CB TRP A 35 16.265 -5.242 -5.836 1.00 0.00 C ATOM 507 CG TRP A 35 16.276 -4.620 -4.471 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.805 -5.203 -3.343 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.764 -3.305 -4.077 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.973 -4.327 -2.287 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.561 -3.146 -2.687 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.362 -2.243 -4.785 1.00 0.00 C ATOM 513 CZ2 TRP A 35 16.932 -1.978 -2.022 1.00 0.00 C ATOM 514 CZ3 TRP A 35 17.737 -1.066 -4.118 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.522 -0.934 -2.738 1.00 0.00 C ATOM 0 H TRP A 35 13.261 -4.075 -5.604 1.00 0.00 H new ATOM 0 HA TRP A 35 14.813 -5.540 -7.449 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.704 -6.239 -5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.881 -4.653 -6.516 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.370 -6.189 -3.279 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.695 -4.530 -1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.533 -2.335 -5.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.764 -1.881 -0.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.193 -0.258 -4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 35 17.812 -0.026 -2.230 1.00 0.00 H new ATOM 526 N PHE A 36 14.387 -7.685 -5.965 1.00 0.00 N ATOM 527 CA PHE A 36 13.711 -8.833 -5.282 1.00 0.00 C ATOM 528 C PHE A 36 14.296 -9.034 -3.874 1.00 0.00 C ATOM 529 O PHE A 36 15.488 -9.210 -3.710 1.00 0.00 O ATOM 530 CB PHE A 36 13.959 -10.063 -6.185 1.00 0.00 C ATOM 531 CG PHE A 36 15.428 -10.458 -6.210 1.00 0.00 C ATOM 532 CD1 PHE A 36 16.294 -9.899 -7.160 1.00 0.00 C ATOM 533 CD2 PHE A 36 15.916 -11.397 -5.291 1.00 0.00 C ATOM 534 CE1 PHE A 36 17.642 -10.277 -7.190 1.00 0.00 C ATOM 535 CE2 PHE A 36 17.265 -11.774 -5.320 1.00 0.00 C ATOM 536 CZ PHE A 36 18.128 -11.212 -6.268 1.00 0.00 C ATOM 0 H PHE A 36 15.076 -7.947 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 36 12.643 -8.661 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.363 -10.903 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.624 -9.843 -7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 36 15.921 -9.176 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.251 -11.831 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.307 -9.847 -7.925 1.00 0.00 H new ATOM 0 HE2 PHE A 36 17.639 -12.498 -4.611 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.169 -11.500 -6.288 1.00 0.00 H new ATOM 546 N GLU A 37 13.462 -8.997 -2.859 1.00 0.00 N ATOM 547 CA GLU A 37 13.965 -9.178 -1.463 1.00 0.00 C ATOM 548 C GLU A 37 12.802 -9.406 -0.485 1.00 0.00 C ATOM 549 O GLU A 37 11.887 -8.608 -0.398 1.00 0.00 O ATOM 550 CB GLU A 37 14.691 -7.871 -1.137 1.00 0.00 C ATOM 551 CG GLU A 37 15.314 -7.965 0.260 1.00 0.00 C ATOM 552 CD GLU A 37 16.151 -6.717 0.564 1.00 0.00 C ATOM 553 OE1 GLU A 37 16.008 -5.734 -0.142 1.00 0.00 O ATOM 554 OE2 GLU A 37 16.927 -6.768 1.504 1.00 0.00 O ATOM 0 H GLU A 37 12.456 -8.849 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 37 14.616 -10.048 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.465 -7.678 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.993 -7.035 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.528 -8.073 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.941 -8.854 0.325 1.00 0.00 H new ATOM 561 N ASN A 38 12.843 -10.485 0.257 1.00 0.00 N ATOM 562 CA ASN A 38 11.757 -10.773 1.246 1.00 0.00 C ATOM 563 C ASN A 38 12.244 -10.494 2.677 1.00 0.00 C ATOM 564 O ASN A 38 11.631 -10.913 3.640 1.00 0.00 O ATOM 565 CB ASN A 38 11.446 -12.258 1.071 1.00 0.00 C ATOM 566 CG ASN A 38 10.781 -12.484 -0.287 1.00 0.00 C ATOM 567 OD1 ASN A 38 11.236 -13.291 -1.071 1.00 0.00 O ATOM 568 ND2 ASN A 38 9.715 -11.799 -0.598 1.00 0.00 N ATOM 0 H ASN A 38 13.586 -11.183 0.220 1.00 0.00 H new ATOM 0 HA ASN A 38 10.880 -10.147 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.363 -12.843 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.789 -12.599 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.263 -11.941 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.334 -11.121 0.062 1.00 0.00 H new ATOM 575 N LYS A 39 13.346 -9.800 2.820 1.00 0.00 N ATOM 576 CA LYS A 39 13.889 -9.500 4.183 1.00 0.00 C ATOM 577 C LYS A 39 12.897 -8.670 5.004 1.00 0.00 C ATOM 578 O LYS A 39 12.658 -8.950 6.164 1.00 0.00 O ATOM 579 CB LYS A 39 15.168 -8.699 3.927 1.00 0.00 C ATOM 580 CG LYS A 39 15.879 -8.421 5.252 1.00 0.00 C ATOM 581 CD LYS A 39 17.179 -7.660 4.980 1.00 0.00 C ATOM 582 CE LYS A 39 17.893 -7.370 6.303 1.00 0.00 C ATOM 583 NZ LYS A 39 18.247 -8.705 6.861 1.00 0.00 N ATOM 0 H LYS A 39 13.897 -9.426 2.047 1.00 0.00 H new ATOM 0 HA LYS A 39 14.073 -10.411 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.828 -9.253 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.926 -7.760 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.234 -7.838 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.094 -9.358 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.826 -8.247 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.963 -6.727 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.783 -6.762 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.247 -6.817 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.095 -8.618 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.456 -9.062 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.437 -9.367 6.082 1.00 0.00 H new ATOM 597 N GLY A 40 12.327 -7.649 4.418 1.00 0.00 N ATOM 598 CA GLY A 40 11.358 -6.794 5.169 1.00 0.00 C ATOM 599 C GLY A 40 10.384 -6.150 4.186 1.00 0.00 C ATOM 600 O GLY A 40 10.244 -4.943 4.135 1.00 0.00 O ATOM 0 H GLY A 40 12.491 -7.370 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.813 -7.395 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.891 -6.024 5.727 1.00 0.00 H new ATOM 604 N LEU A 41 9.719 -6.952 3.399 1.00 0.00 N ATOM 605 CA LEU A 41 8.756 -6.404 2.400 1.00 0.00 C ATOM 606 C LEU A 41 7.466 -5.931 3.079 1.00 0.00 C ATOM 607 O LEU A 41 7.017 -6.497 4.058 1.00 0.00 O ATOM 608 CB LEU A 41 8.464 -7.567 1.451 1.00 0.00 C ATOM 609 CG LEU A 41 7.481 -7.111 0.371 1.00 0.00 C ATOM 610 CD1 LEU A 41 8.169 -6.111 -0.554 1.00 0.00 C ATOM 611 CD2 LEU A 41 7.028 -8.319 -0.437 1.00 0.00 C ATOM 0 H LEU A 41 9.802 -7.969 3.405 1.00 0.00 H new ATOM 0 HA LEU A 41 9.165 -5.538 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.389 -7.916 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.047 -8.407 2.006 1.00 0.00 H new ATOM 0 HG LEU A 41 6.618 -6.638 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.469 -5.786 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.499 -5.248 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.031 -6.584 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.327 -7.999 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.893 -8.789 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.539 -9.036 0.223 1.00 0.00 H new ATOM 623 N VAL A 42 6.858 -4.912 2.534 1.00 0.00 N ATOM 624 CA VAL A 42 5.579 -4.390 3.092 1.00 0.00 C ATOM 625 C VAL A 42 4.502 -4.541 2.019 1.00 0.00 C ATOM 626 O VAL A 42 4.689 -4.132 0.887 1.00 0.00 O ATOM 627 CB VAL A 42 5.846 -2.916 3.401 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.583 -2.269 3.970 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.975 -2.806 4.431 1.00 0.00 C ATOM 0 H VAL A 42 7.200 -4.412 1.713 1.00 0.00 H new ATOM 0 HA VAL A 42 5.244 -4.916 3.986 1.00 0.00 H new ATOM 0 HB VAL A 42 6.134 -2.405 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.779 -1.219 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.776 -2.344 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.293 -2.782 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.165 -1.756 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.684 -3.322 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.880 -3.262 4.029 1.00 0.00 H new ATOM 639 N GLU A 43 3.397 -5.158 2.345 1.00 0.00 N ATOM 640 CA GLU A 43 2.335 -5.374 1.319 1.00 0.00 C ATOM 641 C GLU A 43 1.271 -4.277 1.311 1.00 0.00 C ATOM 642 O GLU A 43 0.412 -4.220 2.170 1.00 0.00 O ATOM 643 CB GLU A 43 1.692 -6.707 1.697 1.00 0.00 C ATOM 644 CG GLU A 43 2.683 -7.849 1.449 1.00 0.00 C ATOM 645 CD GLU A 43 2.099 -9.181 1.944 1.00 0.00 C ATOM 646 OE1 GLU A 43 0.977 -9.185 2.432 1.00 0.00 O ATOM 647 OE2 GLU A 43 2.787 -10.181 1.825 1.00 0.00 O ATOM 0 H GLU A 43 3.184 -5.521 3.274 1.00 0.00 H new ATOM 0 HA GLU A 43 2.771 -5.363 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.394 -6.693 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.787 -6.864 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.910 -7.917 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.622 -7.643 1.963 1.00 0.00 H new ATOM 654 N CYS A 44 1.274 -3.462 0.287 1.00 0.00 N ATOM 655 CA CYS A 44 0.205 -2.428 0.138 1.00 0.00 C ATOM 656 C CYS A 44 -1.079 -3.203 -0.172 1.00 0.00 C ATOM 657 O CYS A 44 -1.016 -4.404 -0.380 1.00 0.00 O ATOM 658 CB CYS A 44 0.626 -1.575 -1.065 1.00 0.00 C ATOM 659 SG CYS A 44 0.442 0.189 -0.713 1.00 0.00 S ATOM 0 H CYS A 44 1.974 -3.468 -0.455 1.00 0.00 H new ATOM 0 HA CYS A 44 0.056 -1.795 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.663 -1.791 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.021 -1.841 -1.932 1.00 0.00 H new ATOM 664 N ASN A 45 -2.234 -2.579 -0.207 1.00 0.00 N ATOM 665 CA ASN A 45 -3.474 -3.374 -0.507 1.00 0.00 C ATOM 666 C ASN A 45 -3.295 -4.154 -1.826 1.00 0.00 C ATOM 667 O ASN A 45 -3.138 -5.359 -1.821 1.00 0.00 O ATOM 668 CB ASN A 45 -4.593 -2.338 -0.644 1.00 0.00 C ATOM 669 CG ASN A 45 -4.945 -1.771 0.734 1.00 0.00 C ATOM 670 OD1 ASN A 45 -4.649 -2.372 1.749 1.00 0.00 O ATOM 671 ND2 ASN A 45 -5.572 -0.628 0.813 1.00 0.00 N ATOM 0 H ASN A 45 -2.373 -1.581 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.693 -4.105 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.277 -1.534 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.473 -2.797 -1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.813 -0.240 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.821 -0.123 -0.038 1.00 0.00 H new ATOM 678 N ASN A 46 -3.276 -3.473 -2.942 1.00 0.00 N ATOM 679 CA ASN A 46 -3.060 -4.164 -4.252 1.00 0.00 C ATOM 680 C ASN A 46 -1.659 -3.847 -4.805 1.00 0.00 C ATOM 681 O ASN A 46 -1.460 -3.795 -6.003 1.00 0.00 O ATOM 682 CB ASN A 46 -4.157 -3.630 -5.172 1.00 0.00 C ATOM 683 CG ASN A 46 -5.473 -4.342 -4.848 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.003 -5.066 -5.668 1.00 0.00 O ATOM 685 ND2 ASN A 46 -6.025 -4.173 -3.677 1.00 0.00 N ATOM 0 H ASN A 46 -3.401 -2.463 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.111 -5.249 -4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.269 -2.554 -5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.887 -3.796 -6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.899 -4.648 -3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.582 -3.566 -2.987 1.00 0.00 H new ATOM 692 N HIS A 47 -0.701 -3.590 -3.944 1.00 0.00 N ATOM 693 CA HIS A 47 0.674 -3.226 -4.426 1.00 0.00 C ATOM 694 C HIS A 47 1.746 -3.712 -3.415 1.00 0.00 C ATOM 695 O HIS A 47 1.478 -3.830 -2.241 1.00 0.00 O ATOM 696 CB HIS A 47 0.573 -1.684 -4.541 1.00 0.00 C ATOM 697 CG HIS A 47 1.909 -1.001 -4.427 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.080 0.182 -3.708 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.142 -1.306 -4.940 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.369 0.532 -3.804 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.056 -0.338 -4.549 1.00 0.00 N ATOM 0 H HIS A 47 -0.810 -3.616 -2.930 1.00 0.00 H new ATOM 0 HA HIS A 47 0.977 -3.686 -5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.118 -1.425 -5.497 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.089 -1.309 -3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.368 -2.166 -5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.798 1.407 -3.338 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.048 -0.299 -4.782 1.00 0.00 H new ATOM 709 N TYR A 48 2.947 -4.028 -3.869 1.00 0.00 N ATOM 710 CA TYR A 48 4.002 -4.521 -2.917 1.00 0.00 C ATOM 711 C TYR A 48 5.264 -3.636 -2.922 1.00 0.00 C ATOM 712 O TYR A 48 5.882 -3.426 -3.947 1.00 0.00 O ATOM 713 CB TYR A 48 4.398 -5.910 -3.418 1.00 0.00 C ATOM 714 CG TYR A 48 3.211 -6.837 -3.429 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.607 -7.228 -2.228 1.00 0.00 C ATOM 716 CD2 TYR A 48 2.723 -7.317 -4.648 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.511 -8.101 -2.249 1.00 0.00 C ATOM 718 CE2 TYR A 48 1.630 -8.189 -4.670 1.00 0.00 C ATOM 719 CZ TYR A 48 1.023 -8.581 -3.471 1.00 0.00 C ATOM 720 OH TYR A 48 -0.055 -9.443 -3.495 1.00 0.00 O ATOM 0 H TYR A 48 3.236 -3.966 -4.845 1.00 0.00 H new ATOM 0 HA TYR A 48 3.606 -4.514 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.814 -5.834 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.180 -6.322 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.985 -6.857 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.190 -7.014 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.043 -8.403 -1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.254 -8.560 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.062 -9.981 -2.676 1.00 0.00 H new ATOM 730 N LEU A 49 5.682 -3.187 -1.766 1.00 0.00 N ATOM 731 CA LEU A 49 6.946 -2.390 -1.653 1.00 0.00 C ATOM 732 C LEU A 49 7.645 -2.795 -0.355 1.00 0.00 C ATOM 733 O LEU A 49 6.995 -3.222 0.581 1.00 0.00 O ATOM 734 CB LEU A 49 6.544 -0.911 -1.627 1.00 0.00 C ATOM 735 CG LEU A 49 6.819 -0.283 -2.995 1.00 0.00 C ATOM 736 CD1 LEU A 49 6.222 1.128 -3.048 1.00 0.00 C ATOM 737 CD2 LEU A 49 8.325 -0.195 -3.227 1.00 0.00 C ATOM 0 H LEU A 49 5.196 -3.340 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 49 7.628 -2.567 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.488 -0.815 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.104 -0.385 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 49 6.363 -0.903 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.421 1.571 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.145 1.074 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.675 1.744 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.517 0.253 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.778 0.420 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.757 -1.195 -3.195 1.00 0.00 H new ATOM 749 N CYS A 50 8.947 -2.664 -0.272 1.00 0.00 N ATOM 750 CA CYS A 50 9.640 -3.051 0.990 1.00 0.00 C ATOM 751 C CYS A 50 9.982 -1.806 1.804 1.00 0.00 C ATOM 752 O CYS A 50 10.084 -0.715 1.281 1.00 0.00 O ATOM 753 CB CYS A 50 10.880 -3.867 0.581 1.00 0.00 C ATOM 754 SG CYS A 50 12.106 -2.833 -0.251 1.00 0.00 S ATOM 0 H CYS A 50 9.550 -2.310 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 50 9.009 -3.660 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.326 -4.322 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.580 -4.681 -0.079 1.00 0.00 H new ATOM 759 N LEU A 51 10.128 -1.971 3.087 1.00 0.00 N ATOM 760 CA LEU A 51 10.419 -0.813 3.980 1.00 0.00 C ATOM 761 C LEU A 51 11.711 -0.117 3.563 1.00 0.00 C ATOM 762 O LEU A 51 11.896 1.058 3.818 1.00 0.00 O ATOM 763 CB LEU A 51 10.562 -1.410 5.382 1.00 0.00 C ATOM 764 CG LEU A 51 10.353 -0.314 6.429 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.872 0.077 6.467 1.00 0.00 C ATOM 766 CD2 LEU A 51 10.779 -0.833 7.806 1.00 0.00 C ATOM 0 H LEU A 51 10.057 -2.870 3.563 1.00 0.00 H new ATOM 0 HA LEU A 51 9.631 -0.061 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.833 -2.208 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.550 -1.856 5.500 1.00 0.00 H new ATOM 0 HG LEU A 51 10.954 0.557 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.721 0.858 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.568 0.447 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.272 -0.795 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.630 -0.052 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.179 -1.704 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.832 -1.113 7.779 1.00 0.00 H new ATOM 778 N ASN A 52 12.613 -0.835 2.946 1.00 0.00 N ATOM 779 CA ASN A 52 13.907 -0.209 2.537 1.00 0.00 C ATOM 780 C ASN A 52 13.663 0.963 1.573 1.00 0.00 C ATOM 781 O ASN A 52 14.147 2.058 1.793 1.00 0.00 O ATOM 782 CB ASN A 52 14.691 -1.321 1.828 1.00 0.00 C ATOM 783 CG ASN A 52 14.847 -2.534 2.752 1.00 0.00 C ATOM 784 OD1 ASN A 52 15.043 -2.387 3.943 1.00 0.00 O ATOM 785 ND2 ASN A 52 14.765 -3.737 2.249 1.00 0.00 N ATOM 0 H ASN A 52 12.512 -1.822 2.708 1.00 0.00 H new ATOM 0 HA ASN A 52 14.447 0.192 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.173 -1.615 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.673 -0.951 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.865 -4.551 2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.601 -3.862 1.250 1.00 0.00 H new ATOM 792 N CYS A 53 12.902 0.754 0.522 1.00 0.00 N ATOM 793 CA CYS A 53 12.620 1.878 -0.430 1.00 0.00 C ATOM 794 C CYS A 53 11.319 2.585 -0.039 1.00 0.00 C ATOM 795 O CYS A 53 11.132 3.758 -0.305 1.00 0.00 O ATOM 796 CB CYS A 53 12.550 1.254 -1.833 1.00 0.00 C ATOM 797 SG CYS A 53 11.175 0.083 -1.954 1.00 0.00 S ATOM 0 H CYS A 53 12.468 -0.138 0.284 1.00 0.00 H new ATOM 0 HA CYS A 53 13.398 2.641 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.430 2.040 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.487 0.744 -2.055 1.00 0.00 H new ATOM 802 N LEU A 54 10.419 1.869 0.586 1.00 0.00 N ATOM 803 CA LEU A 54 9.115 2.476 0.999 1.00 0.00 C ATOM 804 C LEU A 54 9.361 3.633 1.961 1.00 0.00 C ATOM 805 O LEU A 54 8.742 4.666 1.862 1.00 0.00 O ATOM 806 CB LEU A 54 8.362 1.346 1.708 1.00 0.00 C ATOM 807 CG LEU A 54 6.978 1.820 2.144 1.00 0.00 C ATOM 808 CD1 LEU A 54 6.077 0.604 2.340 1.00 0.00 C ATOM 809 CD2 LEU A 54 7.069 2.586 3.468 1.00 0.00 C ATOM 0 H LEU A 54 10.531 0.885 0.830 1.00 0.00 H new ATOM 0 HA LEU A 54 8.555 2.874 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.266 0.489 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.929 1.012 2.577 1.00 0.00 H new ATOM 0 HG LEU A 54 6.571 2.479 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.085 0.932 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.999 0.054 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.502 -0.044 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.074 2.917 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.480 1.933 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.718 3.453 3.343 1.00 0.00 H new ATOM 821 N THR A 55 10.259 3.461 2.890 1.00 0.00 N ATOM 822 CA THR A 55 10.558 4.551 3.869 1.00 0.00 C ATOM 823 C THR A 55 11.109 5.780 3.134 1.00 0.00 C ATOM 824 O THR A 55 10.758 6.902 3.445 1.00 0.00 O ATOM 825 CB THR A 55 11.600 3.950 4.820 1.00 0.00 C ATOM 826 OG1 THR A 55 11.019 2.860 5.521 1.00 0.00 O ATOM 827 CG2 THR A 55 12.084 5.008 5.819 1.00 0.00 C ATOM 0 H THR A 55 10.804 2.608 3.017 1.00 0.00 H new ATOM 0 HA THR A 55 9.674 4.888 4.410 1.00 0.00 H new ATOM 0 HB THR A 55 12.455 3.602 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.934 2.092 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.823 4.566 6.487 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.535 5.840 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.238 5.371 6.403 1.00 0.00 H new ATOM 835 N LEU A 56 11.972 5.576 2.168 1.00 0.00 N ATOM 836 CA LEU A 56 12.549 6.739 1.418 1.00 0.00 C ATOM 837 C LEU A 56 11.423 7.544 0.751 1.00 0.00 C ATOM 838 O LEU A 56 11.407 8.759 0.802 1.00 0.00 O ATOM 839 CB LEU A 56 13.485 6.111 0.369 1.00 0.00 C ATOM 840 CG LEU A 56 14.038 7.188 -0.576 1.00 0.00 C ATOM 841 CD1 LEU A 56 14.801 8.250 0.223 1.00 0.00 C ATOM 842 CD2 LEU A 56 14.986 6.544 -1.590 1.00 0.00 C ATOM 0 H LEU A 56 12.301 4.659 1.866 1.00 0.00 H new ATOM 0 HA LEU A 56 13.085 7.433 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.308 5.600 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.944 5.359 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 56 13.205 7.660 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.189 9.008 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.128 8.717 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.630 7.781 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.377 7.310 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.812 6.066 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.445 5.797 -2.170 1.00 0.00 H new ATOM 854 N LEU A 57 10.478 6.873 0.147 1.00 0.00 N ATOM 855 CA LEU A 57 9.337 7.588 -0.504 1.00 0.00 C ATOM 856 C LEU A 57 8.100 7.566 0.399 1.00 0.00 C ATOM 857 O LEU A 57 7.022 7.931 -0.028 1.00 0.00 O ATOM 858 CB LEU A 57 9.041 6.792 -1.775 1.00 0.00 C ATOM 859 CG LEU A 57 9.975 7.229 -2.902 1.00 0.00 C ATOM 860 CD1 LEU A 57 10.323 6.018 -3.770 1.00 0.00 C ATOM 861 CD2 LEU A 57 9.269 8.280 -3.765 1.00 0.00 C ATOM 0 H LEU A 57 10.446 5.856 0.075 1.00 0.00 H new ATOM 0 HA LEU A 57 9.582 8.631 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.166 5.726 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.004 6.943 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 57 10.886 7.651 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.990 6.327 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.818 5.263 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.410 5.600 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.932 8.595 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.361 7.852 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.011 9.142 -3.150 1.00 0.00 H new ATOM 873 N LEU A 58 8.230 7.103 1.628 1.00 0.00 N ATOM 874 CA LEU A 58 7.040 7.003 2.538 1.00 0.00 C ATOM 875 C LEU A 58 6.025 6.042 1.917 1.00 0.00 C ATOM 876 O LEU A 58 6.008 5.844 0.717 1.00 0.00 O ATOM 877 CB LEU A 58 6.459 8.421 2.659 1.00 0.00 C ATOM 878 CG LEU A 58 6.569 8.923 4.107 1.00 0.00 C ATOM 879 CD1 LEU A 58 5.769 8.015 5.040 1.00 0.00 C ATOM 880 CD2 LEU A 58 8.036 8.944 4.549 1.00 0.00 C ATOM 0 H LEU A 58 9.111 6.791 2.037 1.00 0.00 H new ATOM 0 HA LEU A 58 7.303 6.622 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.992 9.098 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.415 8.421 2.346 1.00 0.00 H new ATOM 0 HG LEU A 58 6.165 9.934 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.854 8.380 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.721 8.017 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.161 6.999 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.101 9.301 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.449 7.937 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.603 9.609 3.897 1.00 0.00 H new ATOM 892 N SER A 59 5.173 5.447 2.708 1.00 0.00 N ATOM 893 CA SER A 59 4.164 4.523 2.114 1.00 0.00 C ATOM 894 C SER A 59 3.185 5.375 1.315 1.00 0.00 C ATOM 895 O SER A 59 3.048 5.235 0.115 1.00 0.00 O ATOM 896 CB SER A 59 3.476 3.839 3.294 1.00 0.00 C ATOM 897 OG SER A 59 2.824 4.815 4.093 1.00 0.00 O ATOM 0 H SER A 59 5.131 5.557 3.721 1.00 0.00 H new ATOM 0 HA SER A 59 4.592 3.772 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.753 3.107 2.933 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.209 3.296 3.891 1.00 0.00 H new ATOM 0 HG SER A 59 2.381 4.376 4.849 1.00 0.00 H new ATOM 903 N VAL A 60 2.544 6.294 1.983 1.00 0.00 N ATOM 904 CA VAL A 60 1.602 7.225 1.303 1.00 0.00 C ATOM 905 C VAL A 60 1.606 8.570 2.036 1.00 0.00 C ATOM 906 O VAL A 60 0.579 9.023 2.508 1.00 0.00 O ATOM 907 CB VAL A 60 0.220 6.572 1.378 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.213 5.272 0.569 1.00 0.00 C ATOM 909 CG2 VAL A 60 -0.142 6.271 2.837 1.00 0.00 C ATOM 0 H VAL A 60 2.635 6.441 2.988 1.00 0.00 H new ATOM 0 HA VAL A 60 1.884 7.408 0.266 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.516 7.260 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.774 4.813 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.451 5.490 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.957 4.587 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.127 5.807 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.597 5.593 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.154 7.199 3.408 1.00 0.00 H new ATOM 919 N SER A 61 2.751 9.220 2.145 1.00 0.00 N ATOM 920 CA SER A 61 2.796 10.548 2.859 1.00 0.00 C ATOM 921 C SER A 61 1.735 11.473 2.264 1.00 0.00 C ATOM 922 O SER A 61 0.989 12.127 2.968 1.00 0.00 O ATOM 923 CB SER A 61 4.191 11.112 2.598 1.00 0.00 C ATOM 924 OG SER A 61 4.484 12.108 3.570 1.00 0.00 O ATOM 0 H SER A 61 3.644 8.894 1.776 1.00 0.00 H new ATOM 0 HA SER A 61 2.600 10.451 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.933 10.314 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.242 11.539 1.596 1.00 0.00 H new ATOM 0 HG SER A 61 5.379 12.471 3.407 1.00 0.00 H new ATOM 930 N ASN A 62 1.644 11.480 0.966 1.00 0.00 N ATOM 931 CA ASN A 62 0.611 12.296 0.281 1.00 0.00 C ATOM 932 C ASN A 62 -0.200 11.372 -0.624 1.00 0.00 C ATOM 933 O ASN A 62 -1.415 11.393 -0.627 1.00 0.00 O ATOM 934 CB ASN A 62 1.378 13.333 -0.544 1.00 0.00 C ATOM 935 CG ASN A 62 0.401 14.387 -1.070 1.00 0.00 C ATOM 936 OD1 ASN A 62 -0.640 14.613 -0.485 1.00 0.00 O ATOM 937 ND2 ASN A 62 0.694 15.050 -2.156 1.00 0.00 N ATOM 0 H ASN A 62 2.251 10.947 0.343 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.075 12.788 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.145 13.806 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.889 12.847 -1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.050 15.756 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.567 14.862 -2.648 1.00 0.00 H new ATOM 944 N ARG A 63 0.480 10.553 -1.389 1.00 0.00 N ATOM 945 CA ARG A 63 -0.228 9.608 -2.301 1.00 0.00 C ATOM 946 C ARG A 63 0.669 8.416 -2.665 1.00 0.00 C ATOM 947 O ARG A 63 1.861 8.568 -2.851 1.00 0.00 O ATOM 948 CB ARG A 63 -0.531 10.436 -3.545 1.00 0.00 C ATOM 949 CG ARG A 63 -1.343 9.599 -4.533 1.00 0.00 C ATOM 950 CD ARG A 63 -1.687 10.454 -5.748 1.00 0.00 C ATOM 951 NE ARG A 63 -0.377 10.761 -6.405 1.00 0.00 N ATOM 952 CZ ARG A 63 -0.298 11.594 -7.425 1.00 0.00 C ATOM 953 NH1 ARG A 63 -1.343 12.273 -7.841 1.00 0.00 N ATOM 954 NH2 ARG A 63 0.846 11.748 -8.033 1.00 0.00 N ATOM 0 H ARG A 63 1.498 10.500 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.124 9.191 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.086 11.333 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.398 10.766 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.773 8.722 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.255 9.237 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.351 9.921 -6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.201 11.368 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 63 0.472 10.317 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.242 12.162 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.255 12.911 -8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.665 11.228 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.921 12.389 -8.823 1.00 0.00 H new ATOM 968 N CYS A 64 0.097 7.242 -2.819 1.00 0.00 N ATOM 969 CA CYS A 64 0.916 6.061 -3.232 1.00 0.00 C ATOM 970 C CYS A 64 1.019 6.099 -4.766 1.00 0.00 C ATOM 971 O CYS A 64 0.021 5.945 -5.444 1.00 0.00 O ATOM 972 CB CYS A 64 0.143 4.824 -2.765 1.00 0.00 C ATOM 973 SG CYS A 64 1.303 3.454 -2.487 1.00 0.00 S ATOM 0 H CYS A 64 -0.895 7.054 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 64 1.920 6.054 -2.808 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.400 5.047 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.598 4.541 -3.513 1.00 0.00 H new ATOM 978 N PRO A 65 2.201 6.365 -5.279 1.00 0.00 N ATOM 979 CA PRO A 65 2.360 6.488 -6.752 1.00 0.00 C ATOM 980 C PRO A 65 2.115 5.165 -7.484 1.00 0.00 C ATOM 981 O PRO A 65 1.608 5.158 -8.593 1.00 0.00 O ATOM 982 CB PRO A 65 3.811 6.941 -6.914 1.00 0.00 C ATOM 983 CG PRO A 65 4.497 6.471 -5.673 1.00 0.00 C ATOM 984 CD PRO A 65 3.478 6.557 -4.575 1.00 0.00 C ATOM 0 HA PRO A 65 1.636 7.178 -7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.264 6.507 -7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.878 8.024 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.858 5.449 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.365 7.091 -5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.638 5.790 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.516 7.520 -4.067 1.00 0.00 H new ATOM 992 N ILE A 66 2.471 4.053 -6.893 1.00 0.00 N ATOM 993 CA ILE A 66 2.254 2.744 -7.589 1.00 0.00 C ATOM 994 C ILE A 66 0.768 2.373 -7.622 1.00 0.00 C ATOM 995 O ILE A 66 0.252 1.973 -8.651 1.00 0.00 O ATOM 996 CB ILE A 66 3.072 1.714 -6.814 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.545 2.162 -6.728 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.997 0.360 -7.525 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.132 2.344 -8.137 1.00 0.00 C ATOM 0 H ILE A 66 2.898 3.992 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 66 2.571 2.791 -8.631 1.00 0.00 H new ATOM 0 HB ILE A 66 2.665 1.625 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.615 3.098 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.126 1.421 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.581 -0.375 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.958 0.033 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.398 0.456 -8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.172 2.660 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.079 1.399 -8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.561 3.102 -8.674 1.00 0.00 H new ATOM 1011 N CYS A 67 0.068 2.526 -6.521 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.394 2.205 -6.520 1.00 0.00 C ATOM 1013 C CYS A 67 -2.132 3.141 -7.488 1.00 0.00 C ATOM 1014 O CYS A 67 -3.255 2.879 -7.873 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.880 2.412 -5.081 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.241 1.091 -4.015 1.00 0.00 S ATOM 0 H CYS A 67 0.443 2.856 -5.632 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.585 1.183 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.547 3.382 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.970 2.418 -5.054 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.507 4.234 -7.884 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.155 5.197 -8.833 1.00 0.00 C ATOM 1023 C LYS A 68 -3.510 5.648 -8.298 1.00 0.00 C ATOM 1024 O LYS A 68 -4.413 5.954 -9.056 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.325 4.431 -10.150 1.00 0.00 C ATOM 1026 CG LYS A 68 -0.957 4.204 -10.793 1.00 0.00 C ATOM 1027 CD LYS A 68 -1.127 3.386 -12.075 1.00 0.00 C ATOM 1028 CE LYS A 68 0.247 3.099 -12.686 1.00 0.00 C ATOM 1029 NZ LYS A 68 0.756 4.425 -13.134 1.00 0.00 N ATOM 0 H LYS A 68 -0.568 4.498 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.553 6.096 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.814 3.475 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.968 4.992 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.486 5.161 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.299 3.681 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.642 2.450 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.746 3.931 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.917 2.646 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.170 2.403 -13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.467 4.290 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.033 4.992 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.190 4.920 -12.329 1.00 0.00 H new ATOM 1043 N MET A 69 -3.658 5.693 -7.001 1.00 0.00 N ATOM 1044 CA MET A 69 -4.963 6.127 -6.418 1.00 0.00 C ATOM 1045 C MET A 69 -4.749 7.081 -5.229 1.00 0.00 C ATOM 1046 O MET A 69 -3.828 6.900 -4.456 1.00 0.00 O ATOM 1047 CB MET A 69 -5.643 4.838 -5.972 1.00 0.00 C ATOM 1048 CG MET A 69 -6.412 4.252 -7.156 1.00 0.00 C ATOM 1049 SD MET A 69 -6.836 2.529 -6.813 1.00 0.00 S ATOM 1050 CE MET A 69 -8.598 2.795 -6.506 1.00 0.00 C ATOM 0 H MET A 69 -2.937 5.450 -6.322 1.00 0.00 H new ATOM 0 HA MET A 69 -5.568 6.678 -7.138 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.901 4.124 -5.613 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.321 5.037 -5.142 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.318 4.831 -7.336 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.808 4.315 -8.061 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.074 1.843 -6.269 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.722 3.481 -5.668 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.062 3.221 -7.396 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.601 8.083 -5.125 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.477 9.066 -4.026 1.00 0.00 C ATOM 1062 C PRO A 70 -6.074 8.517 -2.725 1.00 0.00 C ATOM 1063 O PRO A 70 -6.915 7.639 -2.736 1.00 0.00 O ATOM 1064 CB PRO A 70 -6.275 10.265 -4.529 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.275 9.707 -5.492 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.746 8.389 -5.999 1.00 0.00 C ATOM 0 HA PRO A 70 -4.441 9.312 -3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.769 10.780 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.625 10.992 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.239 9.568 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.434 10.398 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.506 7.610 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.439 8.461 -7.042 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.646 9.043 -1.608 1.00 0.00 N ATOM 1075 CA LEU A 71 -6.179 8.580 -0.289 1.00 0.00 C ATOM 1076 C LEU A 71 -6.309 9.781 0.661 1.00 0.00 C ATOM 1077 O LEU A 71 -5.705 9.799 1.717 1.00 0.00 O ATOM 1078 CB LEU A 71 -5.149 7.574 0.244 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.761 8.225 0.278 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -2.977 7.714 1.488 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.006 7.871 -1.005 1.00 0.00 C ATOM 0 H LEU A 71 -4.944 9.780 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.165 8.124 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.432 7.245 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.130 6.688 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.871 9.307 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.992 8.180 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.515 7.965 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.865 6.632 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.018 8.332 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.900 6.789 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.561 8.240 -1.867 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.092 10.761 0.258 1.00 0.00 N ATOM 1094 CA PRO A 72 -7.278 11.969 1.101 1.00 0.00 C ATOM 1095 C PRO A 72 -8.038 11.619 2.384 1.00 0.00 C ATOM 1096 O PRO A 72 -7.993 12.349 3.355 1.00 0.00 O ATOM 1097 CB PRO A 72 -8.090 12.908 0.212 1.00 0.00 C ATOM 1098 CG PRO A 72 -8.796 12.009 -0.747 1.00 0.00 C ATOM 1099 CD PRO A 72 -7.877 10.842 -0.986 1.00 0.00 C ATOM 0 HA PRO A 72 -6.338 12.414 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.797 13.495 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.445 13.615 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.750 11.676 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.014 12.530 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.434 9.923 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.238 11.006 -1.854 1.00 0.00 H new ATOM 1107 N THR A 73 -8.729 10.505 2.398 1.00 0.00 N ATOM 1108 CA THR A 73 -9.487 10.101 3.621 1.00 0.00 C ATOM 1109 C THR A 73 -8.520 9.909 4.791 1.00 0.00 C ATOM 1110 O THR A 73 -7.333 10.143 4.668 1.00 0.00 O ATOM 1111 CB THR A 73 -10.170 8.776 3.259 1.00 0.00 C ATOM 1112 OG1 THR A 73 -10.888 8.293 4.385 1.00 0.00 O ATOM 1113 CG2 THR A 73 -9.120 7.739 2.837 1.00 0.00 C ATOM 0 H THR A 73 -8.800 9.858 1.613 1.00 0.00 H new ATOM 0 HA THR A 73 -10.214 10.854 3.924 1.00 0.00 H new ATOM 0 HB THR A 73 -10.857 8.943 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.327 7.447 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.616 6.802 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.573 8.108 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.425 7.570 3.659 1.00 0.00 H new ATOM 1121 N LYS A 74 -9.018 9.484 5.929 1.00 0.00 N ATOM 1122 CA LYS A 74 -8.131 9.274 7.121 1.00 0.00 C ATOM 1123 C LYS A 74 -7.306 10.534 7.414 1.00 0.00 C ATOM 1124 O LYS A 74 -6.243 10.467 8.003 1.00 0.00 O ATOM 1125 CB LYS A 74 -7.212 8.110 6.735 1.00 0.00 C ATOM 1126 CG LYS A 74 -6.960 7.223 7.952 1.00 0.00 C ATOM 1127 CD LYS A 74 -6.183 5.980 7.517 1.00 0.00 C ATOM 1128 CE LYS A 74 -5.910 5.092 8.731 1.00 0.00 C ATOM 1129 NZ LYS A 74 -5.179 3.914 8.186 1.00 0.00 N ATOM 0 H LYS A 74 -10.004 9.273 6.085 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.706 9.062 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.667 7.525 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.267 8.493 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.397 7.772 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.907 6.933 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.752 5.426 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.243 6.272 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.314 5.616 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.838 4.791 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.955 3.256 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.774 3.432 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.297 4.231 7.735 1.00 0.00 H new ATOM 1143 N LEU A 75 -7.792 11.678 7.002 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.047 12.946 7.249 1.00 0.00 C ATOM 1145 C LEU A 75 -7.905 13.914 8.066 1.00 0.00 C ATOM 1146 O LEU A 75 -9.003 14.261 7.673 1.00 0.00 O ATOM 1147 CB LEU A 75 -6.775 13.517 5.856 1.00 0.00 C ATOM 1148 CG LEU A 75 -5.857 14.737 5.967 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -4.493 14.308 6.513 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -5.679 15.362 4.583 1.00 0.00 C ATOM 0 H LEU A 75 -8.675 11.787 6.504 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.129 12.784 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.312 12.758 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.714 13.799 5.379 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.302 15.466 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.842 15.179 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.620 13.861 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.044 13.579 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.026 16.231 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.234 14.631 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.650 15.670 4.195 1.00 0.00 H new ATOM 1162 N ARG A 76 -7.411 14.353 9.194 1.00 0.00 N ATOM 1163 CA ARG A 76 -8.196 15.304 10.038 1.00 0.00 C ATOM 1164 C ARG A 76 -7.297 15.911 11.124 1.00 0.00 C ATOM 1165 O ARG A 76 -7.282 15.435 12.243 1.00 0.00 O ATOM 1166 CB ARG A 76 -9.306 14.463 10.665 1.00 0.00 C ATOM 1167 CG ARG A 76 -10.437 15.384 11.130 1.00 0.00 C ATOM 1168 CD ARG A 76 -11.759 14.617 11.125 1.00 0.00 C ATOM 1169 NE ARG A 76 -12.534 15.169 12.279 1.00 0.00 N ATOM 1170 CZ ARG A 76 -13.586 14.537 12.753 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -14.189 13.604 12.054 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -14.043 14.847 13.935 1.00 0.00 N ATOM 0 H ARG A 76 -6.498 14.095 9.568 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.599 16.134 9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.684 13.741 9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.915 13.894 11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.226 15.758 12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.506 16.252 10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.294 14.760 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.594 13.546 11.238 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.242 16.049 12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.843 13.358 11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.003 13.125 12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.585 15.574 14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.858 14.362 14.310 1.00 0.00 H new ATOM 1186 N PRO A 77 -6.570 16.946 10.766 1.00 0.00 N ATOM 1187 CA PRO A 77 -5.669 17.602 11.742 1.00 0.00 C ATOM 1188 C PRO A 77 -6.478 18.424 12.748 1.00 0.00 C ATOM 1189 O PRO A 77 -7.540 18.930 12.435 1.00 0.00 O ATOM 1190 CB PRO A 77 -4.792 18.503 10.876 1.00 0.00 C ATOM 1191 CG PRO A 77 -5.607 18.782 9.654 1.00 0.00 C ATOM 1192 CD PRO A 77 -6.518 17.600 9.446 1.00 0.00 C ATOM 0 HA PRO A 77 -5.087 16.893 12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.537 19.425 11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.853 18.011 10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.186 19.697 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.963 18.928 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.509 17.914 9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.128 16.926 8.683 1.00 0.00 H new ATOM 1200 N SER A 78 -5.981 18.565 13.952 1.00 0.00 N ATOM 1201 CA SER A 78 -6.718 19.360 14.980 1.00 0.00 C ATOM 1202 C SER A 78 -6.614 20.854 14.660 1.00 0.00 C ATOM 1203 O SER A 78 -5.574 21.340 14.256 1.00 0.00 O ATOM 1204 CB SER A 78 -6.024 19.051 16.306 1.00 0.00 C ATOM 1205 OG SER A 78 -6.451 17.778 16.774 1.00 0.00 O ATOM 0 H SER A 78 -5.097 18.164 14.266 1.00 0.00 H new ATOM 0 HA SER A 78 -7.778 19.108 15.011 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.942 19.059 16.174 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.261 19.820 17.041 1.00 0.00 H new ATOM 0 HG SER A 78 -6.006 17.576 17.624 1.00 0.00 H new ATOM 1211 N ALA A 79 -7.685 21.581 14.844 1.00 0.00 N ATOM 1212 CA ALA A 79 -7.664 23.046 14.559 1.00 0.00 C ATOM 1213 C ALA A 79 -8.919 23.707 15.132 1.00 0.00 C ATOM 1214 O ALA A 79 -9.949 23.074 15.273 1.00 0.00 O ATOM 1215 CB ALA A 79 -7.650 23.154 13.033 1.00 0.00 C ATOM 0 H ALA A 79 -8.578 21.221 15.181 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.805 23.544 15.009 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.634 24.205 12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.763 22.656 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.543 22.679 12.626 1.00 0.00 H new ATOM 1221 N ALA A 80 -8.844 24.972 15.460 1.00 0.00 N ATOM 1222 CA ALA A 80 -10.038 25.672 16.020 1.00 0.00 C ATOM 1223 C ALA A 80 -9.880 27.198 15.878 1.00 0.00 C ATOM 1224 O ALA A 80 -8.831 27.731 16.184 1.00 0.00 O ATOM 1225 CB ALA A 80 -10.072 25.273 17.495 1.00 0.00 C ATOM 0 H ALA A 80 -8.008 25.549 15.364 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.957 25.400 15.500 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.924 25.748 17.981 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.165 24.190 17.577 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.151 25.596 17.981 1.00 0.00 H new ATOM 1231 N PRO A 81 -10.921 27.863 15.415 1.00 0.00 N ATOM 1232 CA PRO A 81 -10.852 29.335 15.247 1.00 0.00 C ATOM 1233 C PRO A 81 -10.936 30.034 16.607 1.00 0.00 C ATOM 1234 O PRO A 81 -11.531 29.523 17.538 1.00 0.00 O ATOM 1235 CB PRO A 81 -12.075 29.659 14.394 1.00 0.00 C ATOM 1236 CG PRO A 81 -13.043 28.552 14.664 1.00 0.00 C ATOM 1237 CD PRO A 81 -12.237 27.331 15.020 1.00 0.00 C ATOM 0 HA PRO A 81 -9.920 29.669 14.791 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.498 30.627 14.663 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.816 29.707 13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.716 28.820 15.479 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.663 28.361 13.788 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.700 26.772 15.833 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.152 26.650 14.173 1.00 0.00 H new ATOM 1245 N THR A 82 -10.354 31.200 16.726 1.00 0.00 N ATOM 1246 CA THR A 82 -10.408 31.940 18.023 1.00 0.00 C ATOM 1247 C THR A 82 -11.740 32.688 18.139 1.00 0.00 C ATOM 1248 O THR A 82 -12.458 32.844 17.168 1.00 0.00 O ATOM 1249 CB THR A 82 -9.236 32.921 17.974 1.00 0.00 C ATOM 1250 OG1 THR A 82 -9.244 33.604 16.728 1.00 0.00 O ATOM 1251 CG2 THR A 82 -7.921 32.155 18.132 1.00 0.00 C ATOM 0 H THR A 82 -9.843 31.672 15.980 1.00 0.00 H new ATOM 0 HA THR A 82 -10.338 31.277 18.885 1.00 0.00 H new ATOM 0 HB THR A 82 -9.332 33.644 18.784 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.494 34.234 16.696 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.086 32.855 18.097 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.917 31.633 19.089 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.822 31.431 17.323 1.00 0.00 H new ATOM 1259 N ALA A 83 -12.077 33.145 19.319 1.00 0.00 N ATOM 1260 CA ALA A 83 -13.366 33.879 19.502 1.00 0.00 C ATOM 1261 C ALA A 83 -13.223 35.339 19.041 1.00 0.00 C ATOM 1262 O ALA A 83 -12.138 35.885 19.066 1.00 0.00 O ATOM 1263 CB ALA A 83 -13.653 33.816 21.002 1.00 0.00 C ATOM 0 H ALA A 83 -11.515 33.041 20.164 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.173 33.441 18.914 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.587 34.335 21.216 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.737 32.775 21.313 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.839 34.293 21.548 1.00 0.00 H new ATOM 1269 N PRO A 84 -14.326 35.932 18.627 1.00 0.00 N ATOM 1270 CA PRO A 84 -14.293 37.340 18.160 1.00 0.00 C ATOM 1271 C PRO A 84 -14.164 38.305 19.350 1.00 0.00 C ATOM 1272 O PRO A 84 -14.489 37.948 20.465 1.00 0.00 O ATOM 1273 CB PRO A 84 -15.639 37.521 17.466 1.00 0.00 C ATOM 1274 CG PRO A 84 -16.544 36.509 18.092 1.00 0.00 C ATOM 1275 CD PRO A 84 -15.682 35.362 18.556 1.00 0.00 C ATOM 0 HA PRO A 84 -13.446 37.549 17.506 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.022 38.532 17.607 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.552 37.360 16.391 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -17.087 36.945 18.931 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.289 36.164 17.375 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.007 34.987 19.526 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.726 34.524 17.860 1.00 0.00 H new ATOM 1283 N PRO A 85 -13.696 39.506 19.080 1.00 0.00 N ATOM 1284 CA PRO A 85 -13.539 40.510 20.162 1.00 0.00 C ATOM 1285 C PRO A 85 -14.908 41.035 20.607 1.00 0.00 C ATOM 1286 O PRO A 85 -15.861 41.025 19.850 1.00 0.00 O ATOM 1287 CB PRO A 85 -12.716 41.619 19.510 1.00 0.00 C ATOM 1288 CG PRO A 85 -12.994 41.496 18.047 1.00 0.00 C ATOM 1289 CD PRO A 85 -13.277 40.042 17.773 1.00 0.00 C ATOM 0 HA PRO A 85 -13.064 40.105 21.055 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.007 42.600 19.886 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.654 41.499 19.722 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -13.845 42.115 17.763 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.141 41.840 17.462 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.059 39.922 17.024 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.393 39.528 17.396 1.00 0.00 H new ATOM 1297 N THR A 86 -15.009 41.496 21.828 1.00 0.00 N ATOM 1298 CA THR A 86 -16.314 42.030 22.328 1.00 0.00 C ATOM 1299 C THR A 86 -16.067 43.233 23.245 1.00 0.00 C ATOM 1300 O THR A 86 -15.001 43.382 23.810 1.00 0.00 O ATOM 1301 CB THR A 86 -16.957 40.874 23.108 1.00 0.00 C ATOM 1302 OG1 THR A 86 -18.188 41.311 23.667 1.00 0.00 O ATOM 1303 CG2 THR A 86 -16.024 40.415 24.234 1.00 0.00 C ATOM 0 H THR A 86 -14.244 41.526 22.502 1.00 0.00 H new ATOM 0 HA THR A 86 -16.959 42.371 21.518 1.00 0.00 H new ATOM 0 HB THR A 86 -17.134 40.040 22.428 1.00 0.00 H new ATOM 0 HG1 THR A 86 -18.601 40.574 24.164 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.490 39.595 24.781 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.079 40.077 23.809 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.839 41.246 24.915 1.00 0.00 H new ATOM 1311 N GLY A 87 -17.046 44.090 23.390 1.00 0.00 N ATOM 1312 CA GLY A 87 -16.874 45.287 24.267 1.00 0.00 C ATOM 1313 C GLY A 87 -18.247 45.814 24.686 1.00 0.00 C ATOM 1314 O GLY A 87 -18.813 45.380 25.672 1.00 0.00 O ATOM 0 H GLY A 87 -17.957 44.012 22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -16.289 45.024 25.148 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.321 46.063 23.737 1.00 0.00 H new ATOM 1318 N ALA A 88 -18.783 46.748 23.944 1.00 0.00 N ATOM 1319 CA ALA A 88 -20.122 47.312 24.292 1.00 0.00 C ATOM 1320 C ALA A 88 -21.229 46.358 23.834 1.00 0.00 C ATOM 1321 O ALA A 88 -21.824 46.541 22.788 1.00 0.00 O ATOM 1322 CB ALA A 88 -20.208 48.637 23.534 1.00 0.00 C ATOM 0 H ALA A 88 -18.350 47.146 23.110 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.244 47.452 25.366 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.167 49.112 23.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.400 49.294 23.857 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -20.118 48.450 22.464 1.00 0.00 H new ATOM 1328 N ALA A 89 -21.507 45.344 24.613 1.00 0.00 N ATOM 1329 CA ALA A 89 -22.577 44.370 24.231 1.00 0.00 C ATOM 1330 C ALA A 89 -23.937 45.070 24.185 1.00 0.00 C ATOM 1331 O ALA A 89 -24.765 44.779 23.342 1.00 0.00 O ATOM 1332 CB ALA A 89 -22.563 43.303 25.327 1.00 0.00 C ATOM 0 H ALA A 89 -21.040 45.147 25.498 1.00 0.00 H new ATOM 0 HA ALA A 89 -22.405 43.940 23.244 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -23.324 42.552 25.114 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -21.583 42.827 25.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -22.772 43.768 26.290 1.00 0.00 H new ATOM 1338 N ASP A 90 -24.169 45.992 25.085 1.00 0.00 N ATOM 1339 CA ASP A 90 -25.473 46.717 25.101 1.00 0.00 C ATOM 1340 C ASP A 90 -25.416 47.925 24.165 1.00 0.00 C ATOM 1341 O ASP A 90 -24.675 48.863 24.391 1.00 0.00 O ATOM 1342 CB ASP A 90 -25.657 47.175 26.548 1.00 0.00 C ATOM 1343 CG ASP A 90 -27.097 47.655 26.754 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -27.982 47.099 26.125 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -27.289 48.571 27.536 1.00 0.00 O ATOM 0 H ASP A 90 -23.509 46.273 25.810 1.00 0.00 H new ATOM 0 HA ASP A 90 -26.297 46.088 24.764 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -25.435 46.355 27.231 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -24.958 47.979 26.777 1.00 0.00 H new ATOM 1350 N SER A 91 -26.198 47.905 23.117 1.00 0.00 N ATOM 1351 CA SER A 91 -26.201 49.051 22.158 1.00 0.00 C ATOM 1352 C SER A 91 -26.881 50.261 22.800 1.00 0.00 C ATOM 1353 O SER A 91 -27.736 50.120 23.654 1.00 0.00 O ATOM 1354 CB SER A 91 -27.002 48.566 20.950 1.00 0.00 C ATOM 1355 OG SER A 91 -26.196 47.691 20.173 1.00 0.00 O ATOM 0 H SER A 91 -26.836 47.144 22.883 1.00 0.00 H new ATOM 0 HA SER A 91 -25.194 49.356 21.875 1.00 0.00 H new ATOM 0 HB2 SER A 91 -27.904 48.051 21.280 1.00 0.00 H new ATOM 0 HB3 SER A 91 -27.323 49.415 20.347 1.00 0.00 H new ATOM 0 HG SER A 91 -26.707 47.377 19.398 1.00 0.00 H new ATOM 1361 N ILE A 92 -26.505 51.447 22.396 1.00 0.00 N ATOM 1362 CA ILE A 92 -27.125 52.672 22.980 1.00 0.00 C ATOM 1363 C ILE A 92 -28.081 53.303 21.968 1.00 0.00 C ATOM 1364 O ILE A 92 -27.715 53.565 20.837 1.00 0.00 O ATOM 1365 CB ILE A 92 -25.954 53.618 23.274 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -24.955 52.939 24.230 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -26.480 54.909 23.909 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -25.645 52.579 25.552 1.00 0.00 C ATOM 0 H ILE A 92 -25.794 51.619 21.685 1.00 0.00 H new ATOM 0 HA ILE A 92 -27.702 52.455 23.879 1.00 0.00 H new ATOM 0 HB ILE A 92 -25.446 53.856 22.339 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -24.551 52.039 23.766 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -24.113 53.605 24.421 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -25.645 55.579 24.117 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -27.174 55.395 23.223 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -26.996 54.673 24.840 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -24.928 52.100 26.218 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -26.027 53.485 26.022 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -26.471 51.896 25.357 1.00 0.00 H new ATOM 1380 N ARG A 93 -29.301 53.547 22.368 1.00 0.00 N ATOM 1381 CA ARG A 93 -30.287 54.161 21.433 1.00 0.00 C ATOM 1382 C ARG A 93 -30.939 55.396 22.081 1.00 0.00 C ATOM 1383 O ARG A 93 -31.561 55.279 23.119 1.00 0.00 O ATOM 1384 CB ARG A 93 -31.329 53.074 21.188 1.00 0.00 C ATOM 1385 CG ARG A 93 -32.030 53.343 19.856 1.00 0.00 C ATOM 1386 CD ARG A 93 -33.449 52.772 19.896 1.00 0.00 C ATOM 1387 NE ARG A 93 -33.267 51.307 20.086 1.00 0.00 N ATOM 1388 CZ ARG A 93 -33.346 50.505 19.061 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -34.430 50.481 18.334 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -32.340 49.730 18.760 1.00 0.00 N ATOM 0 H ARG A 93 -29.657 53.347 23.303 1.00 0.00 H new ATOM 0 HA ARG A 93 -29.822 54.497 20.506 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -30.853 52.094 21.171 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -32.056 53.061 22.000 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -32.064 54.415 19.662 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -31.468 52.889 19.040 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -34.027 53.207 20.711 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -33.988 52.987 18.973 1.00 0.00 H new ATOM 0 HE ARG A 93 -33.081 50.931 21.016 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -35.215 51.089 18.568 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -34.492 49.854 17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -31.492 49.752 19.327 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -32.402 49.103 17.958 1.00 0.00 H new ATOM 1404 N PRO A 94 -30.784 56.548 21.459 1.00 0.00 N ATOM 1405 CA PRO A 94 -31.380 57.787 22.021 1.00 0.00 C ATOM 1406 C PRO A 94 -32.908 57.785 21.838 1.00 0.00 C ATOM 1407 O PRO A 94 -33.432 57.007 21.067 1.00 0.00 O ATOM 1408 CB PRO A 94 -30.742 58.902 21.199 1.00 0.00 C ATOM 1409 CG PRO A 94 -30.356 58.258 19.906 1.00 0.00 C ATOM 1410 CD PRO A 94 -30.058 56.814 20.206 1.00 0.00 C ATOM 0 HA PRO A 94 -31.201 57.895 23.091 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -31.441 59.723 21.038 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -29.873 59.319 21.707 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -31.162 58.342 19.177 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -29.484 58.750 19.475 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -30.399 56.162 19.402 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -28.988 56.644 20.322 1.00 0.00 H new ATOM 1418 N PRO A 95 -33.582 58.661 22.557 1.00 0.00 N ATOM 1419 CA PRO A 95 -35.061 58.742 22.452 1.00 0.00 C ATOM 1420 C PRO A 95 -35.480 59.403 21.128 1.00 0.00 C ATOM 1421 O PRO A 95 -34.712 60.140 20.541 1.00 0.00 O ATOM 1422 CB PRO A 95 -35.460 59.618 23.635 1.00 0.00 C ATOM 1423 CG PRO A 95 -34.251 60.445 23.934 1.00 0.00 C ATOM 1424 CD PRO A 95 -33.048 59.641 23.520 1.00 0.00 C ATOM 0 HA PRO A 95 -35.538 57.762 22.467 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -36.316 60.246 23.389 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -35.746 59.012 24.495 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -34.287 61.390 23.392 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -34.204 60.688 24.995 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -32.285 60.272 23.064 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -32.585 59.148 24.375 1.00 0.00 H new ATOM 1432 N PRO A 96 -36.694 59.124 20.694 1.00 0.00 N ATOM 1433 CA PRO A 96 -37.199 59.716 19.428 1.00 0.00 C ATOM 1434 C PRO A 96 -37.425 61.226 19.588 1.00 0.00 C ATOM 1435 O PRO A 96 -37.443 61.963 18.620 1.00 0.00 O ATOM 1436 CB PRO A 96 -38.519 58.987 19.187 1.00 0.00 C ATOM 1437 CG PRO A 96 -38.955 58.527 20.538 1.00 0.00 C ATOM 1438 CD PRO A 96 -37.702 58.256 21.327 1.00 0.00 C ATOM 0 HA PRO A 96 -36.501 59.604 18.598 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -39.259 59.648 18.737 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -38.387 58.146 18.506 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -39.564 59.287 21.028 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -39.567 57.628 20.462 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -37.833 58.498 22.382 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -37.415 57.206 21.274 1.00 0.00 H new ATOM 1446 N TYR A 97 -37.595 61.689 20.803 1.00 0.00 N ATOM 1447 CA TYR A 97 -37.820 63.148 21.032 1.00 0.00 C ATOM 1448 C TYR A 97 -36.601 63.765 21.720 1.00 0.00 C ATOM 1449 O TYR A 97 -36.032 63.186 22.626 1.00 0.00 O ATOM 1450 CB TYR A 97 -39.047 63.222 21.944 1.00 0.00 C ATOM 1451 CG TYR A 97 -40.259 62.724 21.196 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -40.886 63.547 20.253 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -40.755 61.438 21.443 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -42.009 63.086 19.557 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -41.878 60.976 20.745 1.00 0.00 C ATOM 1456 CZ TYR A 97 -42.505 61.800 19.803 1.00 0.00 C ATOM 1457 OH TYR A 97 -43.611 61.344 19.115 1.00 0.00 O ATOM 0 H TYR A 97 -37.587 61.116 21.647 1.00 0.00 H new ATOM 0 HA TYR A 97 -37.972 63.695 20.102 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -38.886 62.620 22.838 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -39.207 64.248 22.275 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -40.503 64.539 20.063 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -40.272 60.803 22.171 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -42.493 63.722 18.830 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -42.260 59.984 20.934 1.00 0.00 H new ATOM 0 HH TYR A 97 -43.823 60.432 19.404 1.00 0.00 H new ATOM 1467 N SER A 98 -36.194 64.933 21.291 1.00 0.00 N ATOM 1468 CA SER A 98 -35.006 65.591 21.913 1.00 0.00 C ATOM 1469 C SER A 98 -35.445 66.575 23.010 1.00 0.00 C ATOM 1470 O SER A 98 -36.538 67.104 22.957 1.00 0.00 O ATOM 1471 CB SER A 98 -34.323 66.336 20.767 1.00 0.00 C ATOM 1472 OG SER A 98 -33.429 67.304 21.302 1.00 0.00 O ATOM 0 H SER A 98 -36.634 65.459 20.536 1.00 0.00 H new ATOM 0 HA SER A 98 -34.341 64.870 22.388 1.00 0.00 H new ATOM 0 HB2 SER A 98 -33.780 65.634 20.134 1.00 0.00 H new ATOM 0 HB3 SER A 98 -35.069 66.822 20.138 1.00 0.00 H new ATOM 0 HG SER A 98 -32.988 67.783 20.569 1.00 0.00 H new ATOM 1478 N PRO A 99 -34.578 66.793 23.977 1.00 0.00 N ATOM 1479 CA PRO A 99 -34.905 67.725 25.084 1.00 0.00 C ATOM 1480 C PRO A 99 -34.816 69.176 24.603 1.00 0.00 C ATOM 1481 O PRO A 99 -34.796 69.381 23.401 1.00 0.00 O ATOM 1482 CB PRO A 99 -33.833 67.433 26.130 1.00 0.00 C ATOM 1483 CG PRO A 99 -32.677 66.873 25.363 1.00 0.00 C ATOM 1484 CD PRO A 99 -33.237 66.205 24.134 1.00 0.00 C ATOM 1485 OXT PRO A 99 -34.766 70.057 25.447 1.00 0.00 O ATOM 0 HA PRO A 99 -35.916 67.593 25.470 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -33.548 68.339 26.665 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -34.193 66.723 26.874 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -31.980 67.664 25.087 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -32.123 66.158 25.971 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -32.615 66.395 23.260 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -33.289 65.123 24.258 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.644 -2.128 -2.370 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.673 1.245 -2.745 1.00 0.00 ZN