USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 635 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 14 LYS NZ :NH3+ 161:sc= -0.0523 (180deg=0) USER MOD Set 1.2: A 63 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0021 USER MOD Single : A 19 SER OG : rot -100:sc= -1.28 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00803 X(o=-0.008,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.0092) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 41 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.791 K(o=-0.79,f=-3.5!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.138 USER MOD Single : A 49 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.85) USER MOD Single : A 50 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.3!) USER MOD Single : A 51 HIS : no HD1:sc= -5.03! C(o=-5!,f=-3.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.99 K(o=-3,f=-3.9!) USER MOD Single : A 59 SER OG : rot -28:sc= 0.561 USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= -2.35! (180deg=-5.63!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.012) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 14:sc= 0.318 USER MOD Single : A 75 SER OG : rot 180:sc= -0.574 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 2.565 -1.409 -1.589 1.00 0.00 C ATOM 4 O MET A 1 3.329 -2.019 -0.842 1.00 0.00 O ATOM 5 CB MET A 1 3.294 0.939 -1.128 1.00 0.00 C ATOM 6 CG MET A 1 4.152 0.985 -2.382 1.00 0.00 C ATOM 7 SD MET A 1 3.285 1.704 -3.790 1.00 0.00 S ATOM 8 CE MET A 1 4.225 3.209 -4.033 1.00 0.00 C ATOM 0 H1 MET A 1 1.018 0.969 0.216 1.00 0.00 H new ATOM 0 H2 MET A 1 0.497 -0.615 -0.104 1.00 0.00 H new ATOM 0 H3 MET A 1 1.926 -0.353 0.775 1.00 0.00 H new ATOM 0 HA MET A 1 1.440 0.351 -2.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.938 1.945 -0.905 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.912 0.625 -0.287 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.053 1.565 -2.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.473 -0.025 -2.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.809 3.766 -4.873 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.174 3.820 -3.131 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.265 2.959 -4.243 1.00 0.00 H new ATOM 18 N ALA A 2 2.105 -1.919 -2.727 1.00 0.00 N ATOM 19 CA ALA A 2 2.482 -3.255 -3.173 1.00 0.00 C ATOM 20 C ALA A 2 2.123 -4.305 -2.127 1.00 0.00 C ATOM 21 O ALA A 2 2.751 -5.361 -2.053 1.00 0.00 O ATOM 22 CB ALA A 2 3.971 -3.306 -3.485 1.00 0.00 C ATOM 0 H ALA A 2 1.471 -1.427 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 2 1.923 -3.479 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.239 -4.309 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.202 -2.589 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.539 -3.056 -2.589 1.00 0.00 H new ATOM 28 N ILE A 3 1.109 -4.007 -1.321 1.00 0.00 N ATOM 29 CA ILE A 3 0.667 -4.926 -0.280 1.00 0.00 C ATOM 30 C ILE A 3 0.235 -6.263 -0.874 1.00 0.00 C ATOM 31 O ILE A 3 -0.209 -6.330 -2.020 1.00 0.00 O ATOM 32 CB ILE A 3 -0.502 -4.337 0.532 1.00 0.00 C ATOM 33 CG1 ILE A 3 -0.778 -5.196 1.767 1.00 0.00 C ATOM 34 CG2 ILE A 3 -1.748 -4.230 -0.334 1.00 0.00 C ATOM 35 CD1 ILE A 3 -1.230 -4.398 2.970 1.00 0.00 C ATOM 0 H ILE A 3 0.579 -3.137 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 3 1.517 -5.083 0.384 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.226 -3.336 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.542 -5.934 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.126 -5.747 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.565 -3.812 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.545 -3.581 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.028 -5.221 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.407 -5.072 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.457 -3.678 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.152 -3.868 2.730 1.00 0.00 H new ATOM 47 N SER A 4 0.367 -7.325 -0.085 1.00 0.00 N ATOM 48 CA SER A 4 -0.008 -8.661 -0.534 1.00 0.00 C ATOM 49 C SER A 4 -1.453 -8.685 -1.023 1.00 0.00 C ATOM 50 O SER A 4 -2.287 -7.904 -0.566 1.00 0.00 O ATOM 51 CB SER A 4 0.175 -9.672 0.600 1.00 0.00 C ATOM 52 OG SER A 4 1.543 -9.813 0.942 1.00 0.00 O ATOM 0 H SER A 4 0.730 -7.286 0.867 1.00 0.00 H new ATOM 0 HA SER A 4 0.643 -8.934 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.390 -9.349 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.229 -10.638 0.299 1.00 0.00 H new ATOM 0 HG SER A 4 1.633 -10.463 1.670 1.00 0.00 H new ATOM 58 N ALA A 5 -1.740 -9.586 -1.956 1.00 0.00 N ATOM 59 CA ALA A 5 -3.084 -9.714 -2.507 1.00 0.00 C ATOM 60 C ALA A 5 -4.054 -10.259 -1.466 1.00 0.00 C ATOM 61 O ALA A 5 -5.262 -10.043 -1.557 1.00 0.00 O ATOM 62 CB ALA A 5 -3.067 -10.610 -3.737 1.00 0.00 C ATOM 0 H ALA A 5 -1.060 -10.238 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.426 -8.721 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.077 -10.697 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.412 -10.177 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.700 -11.599 -3.462 1.00 0.00 H new ATOM 68 N GLU A 6 -3.518 -10.967 -0.477 1.00 0.00 N ATOM 69 CA GLU A 6 -4.339 -11.545 0.581 1.00 0.00 C ATOM 70 C GLU A 6 -4.900 -10.456 1.490 1.00 0.00 C ATOM 71 O GLU A 6 -5.881 -10.671 2.201 1.00 0.00 O ATOM 72 CB GLU A 6 -3.521 -12.541 1.405 1.00 0.00 C ATOM 73 CG GLU A 6 -2.327 -11.916 2.107 1.00 0.00 C ATOM 74 CD GLU A 6 -1.880 -12.711 3.318 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.613 -13.921 3.169 1.00 0.00 O ATOM 76 OE2 GLU A 6 -1.797 -12.121 4.416 1.00 0.00 O ATOM 0 H GLU A 6 -2.519 -11.154 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.173 -12.069 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.169 -13.002 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.170 -13.339 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.498 -11.836 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.582 -10.902 2.416 1.00 0.00 H new ATOM 83 N GLU A 7 -4.269 -9.286 1.462 1.00 0.00 N ATOM 84 CA GLU A 7 -4.704 -8.163 2.285 1.00 0.00 C ATOM 85 C GLU A 7 -5.757 -7.332 1.557 1.00 0.00 C ATOM 86 O GLU A 7 -6.548 -6.625 2.183 1.00 0.00 O ATOM 87 CB GLU A 7 -3.510 -7.282 2.658 1.00 0.00 C ATOM 88 CG GLU A 7 -3.623 -6.658 4.038 1.00 0.00 C ATOM 89 CD GLU A 7 -3.828 -7.689 5.130 1.00 0.00 C ATOM 90 OE1 GLU A 7 -2.846 -8.365 5.501 1.00 0.00 O ATOM 91 OE2 GLU A 7 -4.972 -7.820 5.615 1.00 0.00 O ATOM 0 H GLU A 7 -3.455 -9.091 0.879 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.148 -8.563 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.600 -7.880 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.409 -6.489 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.719 -6.086 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.455 -5.954 4.047 1.00 0.00 H new ATOM 98 N LEU A 8 -5.759 -7.420 0.232 1.00 0.00 N ATOM 99 CA LEU A 8 -6.713 -6.675 -0.583 1.00 0.00 C ATOM 100 C LEU A 8 -8.140 -6.896 -0.090 1.00 0.00 C ATOM 101 O LEU A 8 -8.978 -5.998 -0.163 1.00 0.00 O ATOM 102 CB LEU A 8 -6.598 -7.095 -2.050 1.00 0.00 C ATOM 103 CG LEU A 8 -7.777 -6.721 -2.949 1.00 0.00 C ATOM 104 CD1 LEU A 8 -7.935 -5.211 -3.022 1.00 0.00 C ATOM 105 CD2 LEU A 8 -7.593 -7.308 -4.341 1.00 0.00 C ATOM 0 H LEU A 8 -5.111 -8.000 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.478 -5.614 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.694 -6.649 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.466 -8.176 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.686 -7.140 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.779 -4.964 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.114 -4.815 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.026 -4.769 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.441 -7.032 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.675 -6.919 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.531 -8.394 -4.273 1.00 0.00 H new ATOM 117 N GLU A 9 -8.406 -8.097 0.415 1.00 0.00 N ATOM 118 CA GLU A 9 -9.731 -8.435 0.922 1.00 0.00 C ATOM 119 C GLU A 9 -10.017 -7.702 2.229 1.00 0.00 C ATOM 120 O GLU A 9 -11.132 -7.236 2.463 1.00 0.00 O ATOM 121 CB GLU A 9 -9.851 -9.945 1.134 1.00 0.00 C ATOM 122 CG GLU A 9 -8.869 -10.496 2.155 1.00 0.00 C ATOM 123 CD GLU A 9 -8.379 -11.887 1.802 1.00 0.00 C ATOM 124 OE1 GLU A 9 -8.003 -12.104 0.632 1.00 0.00 O ATOM 125 OE2 GLU A 9 -8.371 -12.757 2.698 1.00 0.00 O ATOM 0 H GLU A 9 -7.722 -8.851 0.484 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.466 -8.120 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.866 -10.179 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.694 -10.451 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.015 -9.823 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.345 -10.521 3.135 1.00 0.00 H new ATOM 132 N LYS A 10 -9.000 -7.604 3.080 1.00 0.00 N ATOM 133 CA LYS A 10 -9.139 -6.928 4.364 1.00 0.00 C ATOM 134 C LYS A 10 -9.745 -5.539 4.185 1.00 0.00 C ATOM 135 O LYS A 10 -10.431 -5.033 5.073 1.00 0.00 O ATOM 136 CB LYS A 10 -7.778 -6.817 5.055 1.00 0.00 C ATOM 137 CG LYS A 10 -7.870 -6.445 6.525 1.00 0.00 C ATOM 138 CD LYS A 10 -8.036 -7.675 7.401 1.00 0.00 C ATOM 139 CE LYS A 10 -8.758 -7.342 8.698 1.00 0.00 C ATOM 140 NZ LYS A 10 -9.121 -8.569 9.461 1.00 0.00 N ATOM 0 H LYS A 10 -8.070 -7.985 2.903 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.809 -7.520 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.254 -7.768 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.177 -6.070 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.971 -5.904 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.713 -5.771 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.595 -8.437 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.057 -8.097 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.123 -6.706 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.660 -6.772 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.611 -8.300 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.748 -9.165 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.258 -9.100 9.696 1.00 0.00 H new ATOM 154 N ILE A 11 -9.487 -4.930 3.033 1.00 0.00 N ATOM 155 CA ILE A 11 -10.010 -3.602 2.738 1.00 0.00 C ATOM 156 C ILE A 11 -11.472 -3.669 2.311 1.00 0.00 C ATOM 157 O ILE A 11 -12.300 -2.879 2.766 1.00 0.00 O ATOM 158 CB ILE A 11 -9.194 -2.909 1.630 1.00 0.00 C ATOM 159 CG1 ILE A 11 -7.729 -2.778 2.051 1.00 0.00 C ATOM 160 CG2 ILE A 11 -9.784 -1.543 1.313 1.00 0.00 C ATOM 161 CD1 ILE A 11 -6.832 -3.840 1.455 1.00 0.00 C ATOM 0 H ILE A 11 -8.919 -5.335 2.289 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.929 -3.020 3.656 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.240 -3.521 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.361 -1.795 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.666 -2.829 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.196 -1.066 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.813 -1.661 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.765 -0.922 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.808 -3.685 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.175 -4.825 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.865 -3.776 0.367 1.00 0.00 H new ATOM 173 N LEU A 12 -11.784 -4.618 1.435 1.00 0.00 N ATOM 174 CA LEU A 12 -13.148 -4.790 0.947 1.00 0.00 C ATOM 175 C LEU A 12 -14.090 -5.168 2.086 1.00 0.00 C ATOM 176 O LEU A 12 -15.310 -5.070 1.955 1.00 0.00 O ATOM 177 CB LEU A 12 -13.189 -5.864 -0.142 1.00 0.00 C ATOM 178 CG LEU A 12 -12.969 -5.375 -1.574 1.00 0.00 C ATOM 179 CD1 LEU A 12 -12.907 -6.552 -2.536 1.00 0.00 C ATOM 180 CD2 LEU A 12 -14.070 -4.408 -1.983 1.00 0.00 C ATOM 0 H LEU A 12 -11.111 -5.280 1.048 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.480 -3.841 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.431 -6.613 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.156 -6.365 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.016 -4.847 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.750 -6.185 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.083 -7.208 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.844 -7.108 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.897 -4.071 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.036 -4.911 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.068 -3.549 -1.312 1.00 0.00 H new ATOM 192 N LYS A 13 -13.515 -5.599 3.203 1.00 0.00 N ATOM 193 CA LYS A 13 -14.302 -5.989 4.368 1.00 0.00 C ATOM 194 C LYS A 13 -14.897 -4.765 5.056 1.00 0.00 C ATOM 195 O LYS A 13 -15.920 -4.858 5.735 1.00 0.00 O ATOM 196 CB LYS A 13 -13.435 -6.772 5.356 1.00 0.00 C ATOM 197 CG LYS A 13 -12.757 -7.985 4.742 1.00 0.00 C ATOM 198 CD LYS A 13 -13.315 -9.281 5.307 1.00 0.00 C ATOM 199 CE LYS A 13 -13.123 -9.360 6.814 1.00 0.00 C ATOM 200 NZ LYS A 13 -12.400 -10.598 7.217 1.00 0.00 N ATOM 0 H LYS A 13 -12.506 -5.687 3.327 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.119 -6.626 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.673 -6.108 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.055 -7.097 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.893 -7.970 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.684 -7.937 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.376 -9.355 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.822 -10.129 4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.567 -8.487 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.095 -9.331 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.289 -10.614 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.943 -11.431 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.462 -10.614 6.768 1.00 0.00 H new ATOM 214 N LYS A 14 -14.251 -3.618 4.877 1.00 0.00 N ATOM 215 CA LYS A 14 -14.718 -2.374 5.478 1.00 0.00 C ATOM 216 C LYS A 14 -16.209 -2.174 5.227 1.00 0.00 C ATOM 217 O LYS A 14 -16.962 -1.837 6.141 1.00 0.00 O ATOM 218 CB LYS A 14 -13.932 -1.187 4.918 1.00 0.00 C ATOM 219 CG LYS A 14 -12.549 -1.030 5.528 1.00 0.00 C ATOM 220 CD LYS A 14 -12.625 -0.776 7.024 1.00 0.00 C ATOM 221 CE LYS A 14 -11.612 0.269 7.464 1.00 0.00 C ATOM 222 NZ LYS A 14 -10.481 -0.339 8.220 1.00 0.00 N ATOM 0 H LYS A 14 -13.402 -3.524 4.320 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.554 -2.436 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.833 -1.305 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.501 -0.273 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.963 -1.930 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.028 -0.204 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.629 -0.444 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.446 -1.707 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.225 0.791 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.106 1.014 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.674 0.317 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.779 -0.527 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.200 -1.232 7.766 1.00 0.00 H new ATOM 236 N SER A 15 -16.629 -2.385 3.984 1.00 0.00 N ATOM 237 CA SER A 15 -18.030 -2.226 3.613 1.00 0.00 C ATOM 238 C SER A 15 -18.664 -3.576 3.292 1.00 0.00 C ATOM 239 O SER A 15 -19.880 -3.742 3.387 1.00 0.00 O ATOM 240 CB SER A 15 -18.157 -1.291 2.409 1.00 0.00 C ATOM 241 OG SER A 15 -18.782 -0.072 2.773 1.00 0.00 O ATOM 0 H SER A 15 -16.019 -2.667 3.217 1.00 0.00 H new ATOM 0 HA SER A 15 -18.558 -1.789 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.169 -1.088 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.735 -1.780 1.625 1.00 0.00 H new ATOM 0 HG SER A 15 -18.850 0.509 1.986 1.00 0.00 H new ATOM 247 N PHE A 16 -17.831 -4.538 2.911 1.00 0.00 N ATOM 248 CA PHE A 16 -18.308 -5.874 2.575 1.00 0.00 C ATOM 249 C PHE A 16 -17.462 -6.943 3.260 1.00 0.00 C ATOM 250 O PHE A 16 -16.636 -7.611 2.638 1.00 0.00 O ATOM 251 CB PHE A 16 -18.282 -6.082 1.059 1.00 0.00 C ATOM 252 CG PHE A 16 -18.736 -4.879 0.281 1.00 0.00 C ATOM 253 CD1 PHE A 16 -20.008 -4.360 0.462 1.00 0.00 C ATOM 254 CD2 PHE A 16 -17.890 -4.268 -0.630 1.00 0.00 C ATOM 255 CE1 PHE A 16 -20.428 -3.254 -0.252 1.00 0.00 C ATOM 256 CE2 PHE A 16 -18.305 -3.161 -1.347 1.00 0.00 C ATOM 257 CZ PHE A 16 -19.575 -2.654 -1.158 1.00 0.00 C ATOM 0 H PHE A 16 -16.822 -4.417 2.827 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.334 -5.965 2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -17.268 -6.341 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -18.918 -6.930 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.679 -4.825 1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.895 -4.661 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.422 -2.859 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.636 -2.693 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 16 -19.901 -1.790 -1.717 1.00 0.00 H new ATOM 267 N PRO A 17 -17.672 -7.110 4.575 1.00 0.00 N ATOM 268 CA PRO A 17 -16.938 -8.096 5.374 1.00 0.00 C ATOM 269 C PRO A 17 -17.331 -9.528 5.031 1.00 0.00 C ATOM 270 O PRO A 17 -16.472 -10.374 4.780 1.00 0.00 O ATOM 271 CB PRO A 17 -17.345 -7.760 6.811 1.00 0.00 C ATOM 272 CG PRO A 17 -18.674 -7.099 6.684 1.00 0.00 C ATOM 273 CD PRO A 17 -18.641 -6.349 5.381 1.00 0.00 C ATOM 0 HA PRO A 17 -15.864 -8.046 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -17.407 -8.658 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -16.618 -7.100 7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.478 -7.835 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -18.855 -6.422 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.623 -6.321 4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -18.324 -5.315 5.520 1.00 0.00 H new ATOM 281 N SER A 18 -18.633 -9.794 5.021 1.00 0.00 N ATOM 282 CA SER A 18 -19.139 -11.126 4.711 1.00 0.00 C ATOM 283 C SER A 18 -18.861 -11.488 3.255 1.00 0.00 C ATOM 284 O SER A 18 -18.760 -12.663 2.904 1.00 0.00 O ATOM 285 CB SER A 18 -20.642 -11.201 4.989 1.00 0.00 C ATOM 286 OG SER A 18 -20.970 -10.541 6.199 1.00 0.00 O ATOM 0 H SER A 18 -19.357 -9.105 5.224 1.00 0.00 H new ATOM 0 HA SER A 18 -18.622 -11.842 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 18 -21.191 -10.748 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 18 -20.953 -12.244 5.044 1.00 0.00 H new ATOM 0 HG SER A 18 -21.936 -10.602 6.353 1.00 0.00 H new ATOM 292 N SER A 19 -18.739 -10.468 2.411 1.00 0.00 N ATOM 293 CA SER A 19 -18.477 -10.677 0.992 1.00 0.00 C ATOM 294 C SER A 19 -17.290 -11.614 0.792 1.00 0.00 C ATOM 295 O SER A 19 -16.394 -11.689 1.632 1.00 0.00 O ATOM 296 CB SER A 19 -18.208 -9.340 0.299 1.00 0.00 C ATOM 297 OG SER A 19 -19.380 -8.844 -0.325 1.00 0.00 O ATOM 0 H SER A 19 -18.817 -9.489 2.686 1.00 0.00 H new ATOM 0 HA SER A 19 -19.360 -11.137 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.846 -8.615 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.421 -9.464 -0.445 1.00 0.00 H new ATOM 0 HG SER A 19 -19.345 -9.034 -1.286 1.00 0.00 H new ATOM 303 N VAL A 20 -17.291 -12.328 -0.330 1.00 0.00 N ATOM 304 CA VAL A 20 -16.214 -13.261 -0.643 1.00 0.00 C ATOM 305 C VAL A 20 -15.209 -12.637 -1.605 1.00 0.00 C ATOM 306 O VAL A 20 -15.475 -12.511 -2.800 1.00 0.00 O ATOM 307 CB VAL A 20 -16.760 -14.561 -1.261 1.00 0.00 C ATOM 308 CG1 VAL A 20 -15.626 -15.530 -1.556 1.00 0.00 C ATOM 309 CG2 VAL A 20 -17.790 -15.197 -0.340 1.00 0.00 C ATOM 0 H VAL A 20 -18.025 -12.278 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.715 -13.496 0.297 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.251 -14.316 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -16.032 -16.443 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.929 -15.071 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.104 -15.771 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -18.165 -16.115 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -17.327 -15.428 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -18.617 -14.504 -0.186 1.00 0.00 H new ATOM 319 N ILE A 21 -14.054 -12.248 -1.075 1.00 0.00 N ATOM 320 CA ILE A 21 -13.009 -11.638 -1.887 1.00 0.00 C ATOM 321 C ILE A 21 -11.981 -12.675 -2.329 1.00 0.00 C ATOM 322 O ILE A 21 -11.500 -13.471 -1.522 1.00 0.00 O ATOM 323 CB ILE A 21 -12.289 -10.511 -1.124 1.00 0.00 C ATOM 324 CG1 ILE A 21 -13.306 -9.518 -0.558 1.00 0.00 C ATOM 325 CG2 ILE A 21 -11.299 -9.802 -2.036 1.00 0.00 C ATOM 326 CD1 ILE A 21 -13.708 -9.812 0.870 1.00 0.00 C ATOM 0 H ILE A 21 -13.819 -12.345 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.497 -11.216 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.737 -10.950 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.887 -8.513 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.197 -9.525 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.798 -9.008 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.559 -10.517 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.830 -9.372 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.431 -9.068 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -14.156 -10.804 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.827 -9.776 1.511 1.00 0.00 H new ATOM 338 N LYS A 22 -11.647 -12.658 -3.615 1.00 0.00 N ATOM 339 CA LYS A 22 -10.674 -13.594 -4.165 1.00 0.00 C ATOM 340 C LYS A 22 -9.906 -12.962 -5.321 1.00 0.00 C ATOM 341 O LYS A 22 -10.491 -12.304 -6.181 1.00 0.00 O ATOM 342 CB LYS A 22 -11.374 -14.869 -4.640 1.00 0.00 C ATOM 343 CG LYS A 22 -10.415 -15.969 -5.061 1.00 0.00 C ATOM 344 CD LYS A 22 -10.038 -16.859 -3.889 1.00 0.00 C ATOM 345 CE LYS A 22 -11.104 -17.911 -3.622 1.00 0.00 C ATOM 346 NZ LYS A 22 -10.701 -18.845 -2.535 1.00 0.00 N ATOM 0 H LYS A 22 -12.036 -12.006 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.965 -13.849 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.013 -15.242 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.025 -14.625 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.873 -16.572 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.515 -15.525 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.086 -17.348 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.897 -16.248 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.039 -17.420 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.293 -18.476 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.454 -19.547 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.823 -19.332 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.545 -18.309 -1.657 1.00 0.00 H new ATOM 360 N ILE A 23 -8.593 -13.169 -5.337 1.00 0.00 N ATOM 361 CA ILE A 23 -7.746 -12.622 -6.389 1.00 0.00 C ATOM 362 C ILE A 23 -7.271 -13.717 -7.337 1.00 0.00 C ATOM 363 O ILE A 23 -6.987 -14.839 -6.916 1.00 0.00 O ATOM 364 CB ILE A 23 -6.520 -11.896 -5.805 1.00 0.00 C ATOM 365 CG1 ILE A 23 -6.965 -10.762 -4.879 1.00 0.00 C ATOM 366 CG2 ILE A 23 -5.640 -11.359 -6.923 1.00 0.00 C ATOM 367 CD1 ILE A 23 -7.147 -11.193 -3.440 1.00 0.00 C ATOM 0 H ILE A 23 -8.093 -13.712 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.353 -11.905 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.938 -12.609 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.228 -9.960 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.904 -10.350 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.778 -10.849 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.299 -12.185 -7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.211 -10.658 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.463 -10.339 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.906 -11.973 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.203 -11.578 -3.053 1.00 0.00 H new ATOM 379 N THR A 24 -7.183 -13.384 -8.621 1.00 0.00 N ATOM 380 CA THR A 24 -6.741 -14.339 -9.630 1.00 0.00 C ATOM 381 C THR A 24 -5.816 -13.677 -10.645 1.00 0.00 C ATOM 382 O THR A 24 -6.040 -12.537 -11.052 1.00 0.00 O ATOM 383 CB THR A 24 -7.936 -14.965 -10.373 1.00 0.00 C ATOM 384 OG1 THR A 24 -8.797 -15.631 -9.442 1.00 0.00 O ATOM 385 CG2 THR A 24 -7.460 -15.954 -11.427 1.00 0.00 C ATOM 0 H THR A 24 -7.412 -12.460 -8.987 1.00 0.00 H new ATOM 0 HA THR A 24 -6.198 -15.125 -9.105 1.00 0.00 H new ATOM 0 HB THR A 24 -8.486 -14.166 -10.869 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.555 -16.025 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.321 -16.383 -11.939 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.828 -15.439 -12.150 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.889 -16.749 -10.948 1.00 0.00 H new ATOM 393 N ASP A 25 -4.778 -14.399 -11.051 1.00 0.00 N ATOM 394 CA ASP A 25 -3.820 -13.882 -12.022 1.00 0.00 C ATOM 395 C ASP A 25 -4.287 -14.158 -13.447 1.00 0.00 C ATOM 396 O ASP A 25 -4.634 -15.289 -13.790 1.00 0.00 O ATOM 397 CB ASP A 25 -2.442 -14.507 -11.793 1.00 0.00 C ATOM 398 CG ASP A 25 -2.470 -16.020 -11.894 1.00 0.00 C ATOM 399 OD1 ASP A 25 -2.916 -16.671 -10.926 1.00 0.00 O ATOM 400 OD2 ASP A 25 -2.045 -16.552 -12.940 1.00 0.00 O ATOM 0 H ASP A 25 -4.578 -15.344 -10.723 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.748 -12.803 -11.886 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.739 -14.110 -12.525 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.074 -14.218 -10.809 1.00 0.00 H new ATOM 405 N LEU A 26 -4.296 -13.117 -14.273 1.00 0.00 N ATOM 406 CA LEU A 26 -4.722 -13.246 -15.662 1.00 0.00 C ATOM 407 C LEU A 26 -3.518 -13.331 -16.596 1.00 0.00 C ATOM 408 O LEU A 26 -3.519 -14.099 -17.558 1.00 0.00 O ATOM 409 CB LEU A 26 -5.606 -12.062 -16.057 1.00 0.00 C ATOM 410 CG LEU A 26 -7.100 -12.216 -15.774 1.00 0.00 C ATOM 411 CD1 LEU A 26 -7.812 -10.880 -15.919 1.00 0.00 C ATOM 412 CD2 LEU A 26 -7.715 -13.253 -16.702 1.00 0.00 C ATOM 0 H LEU A 26 -4.013 -12.174 -14.005 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.296 -14.168 -15.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.247 -11.176 -15.534 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.476 -11.877 -17.123 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.221 -12.559 -14.747 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.875 -11.010 -15.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.391 -10.165 -15.213 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.682 -10.507 -16.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.779 -13.349 -16.486 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.582 -12.939 -17.737 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.225 -14.215 -16.549 1.00 0.00 H new ATOM 424 N VAL A 27 -2.492 -12.538 -16.303 1.00 0.00 N ATOM 425 CA VAL A 27 -1.281 -12.526 -17.114 1.00 0.00 C ATOM 426 C VAL A 27 -0.074 -12.992 -16.307 1.00 0.00 C ATOM 427 O VAL A 27 0.892 -13.516 -16.860 1.00 0.00 O ATOM 428 CB VAL A 27 -0.996 -11.121 -17.677 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.965 -10.790 -18.802 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.074 -10.079 -16.571 1.00 0.00 C ATOM 0 H VAL A 27 -2.476 -11.896 -15.510 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.449 -13.214 -17.942 1.00 0.00 H new ATOM 0 HB VAL A 27 0.015 -11.110 -18.085 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.748 -9.794 -19.187 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.855 -11.521 -19.603 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.986 -10.818 -18.422 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.870 -9.092 -16.986 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.071 -10.089 -16.132 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.336 -10.309 -15.802 1.00 0.00 H new ATOM 440 N GLY A 28 -0.138 -12.798 -14.993 1.00 0.00 N ATOM 441 CA GLY A 28 0.956 -13.204 -14.129 1.00 0.00 C ATOM 442 C GLY A 28 2.274 -12.569 -14.525 1.00 0.00 C ATOM 443 O GLY A 28 3.332 -13.186 -14.397 1.00 0.00 O ATOM 0 H GLY A 28 -0.927 -12.367 -14.511 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.721 -12.934 -13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.055 -14.289 -14.159 1.00 0.00 H new ATOM 447 N ASP A 29 2.212 -11.333 -15.009 1.00 0.00 N ATOM 448 CA ASP A 29 3.410 -10.614 -15.426 1.00 0.00 C ATOM 449 C ASP A 29 3.424 -9.202 -14.848 1.00 0.00 C ATOM 450 O ASP A 29 4.352 -8.823 -14.134 1.00 0.00 O ATOM 451 CB ASP A 29 3.490 -10.555 -16.952 1.00 0.00 C ATOM 452 CG ASP A 29 3.919 -11.876 -17.560 1.00 0.00 C ATOM 453 OD1 ASP A 29 4.596 -12.659 -16.862 1.00 0.00 O ATOM 454 OD2 ASP A 29 3.576 -12.126 -18.735 1.00 0.00 O ATOM 0 H ASP A 29 1.345 -10.808 -15.122 1.00 0.00 H new ATOM 0 HA ASP A 29 4.278 -11.152 -15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.517 -10.272 -17.353 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.194 -9.777 -17.246 1.00 0.00 H new ATOM 459 N GLN A 30 2.391 -8.428 -15.164 1.00 0.00 N ATOM 460 CA GLN A 30 2.287 -7.057 -14.678 1.00 0.00 C ATOM 461 C GLN A 30 1.385 -6.982 -13.450 1.00 0.00 C ATOM 462 O GLN A 30 0.917 -8.005 -12.948 1.00 0.00 O ATOM 463 CB GLN A 30 1.746 -6.143 -15.779 1.00 0.00 C ATOM 464 CG GLN A 30 0.398 -6.582 -16.327 1.00 0.00 C ATOM 465 CD GLN A 30 -0.399 -5.431 -16.909 1.00 0.00 C ATOM 466 OE1 GLN A 30 -0.245 -5.084 -18.080 1.00 0.00 O ATOM 467 NE2 GLN A 30 -1.256 -4.831 -16.091 1.00 0.00 N ATOM 0 H GLN A 30 1.614 -8.727 -15.754 1.00 0.00 H new ATOM 0 HA GLN A 30 3.285 -6.722 -14.395 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.657 -5.130 -15.387 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.467 -6.107 -16.596 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.552 -7.338 -17.097 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.178 -7.052 -15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.351 -5.152 -15.127 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.819 -4.049 -16.426 1.00 0.00 H new ATOM 476 N ASP A 31 1.146 -5.767 -12.972 1.00 0.00 N ATOM 477 CA ASP A 31 0.299 -5.558 -11.803 1.00 0.00 C ATOM 478 C ASP A 31 -1.176 -5.676 -12.172 1.00 0.00 C ATOM 479 O ASP A 31 -1.929 -4.705 -12.082 1.00 0.00 O ATOM 480 CB ASP A 31 0.575 -4.186 -11.185 1.00 0.00 C ATOM 481 CG ASP A 31 2.058 -3.892 -11.068 1.00 0.00 C ATOM 482 OD1 ASP A 31 2.780 -4.714 -10.466 1.00 0.00 O ATOM 483 OD2 ASP A 31 2.496 -2.839 -11.577 1.00 0.00 O ATOM 0 H ASP A 31 1.527 -4.911 -13.375 1.00 0.00 H new ATOM 0 HA ASP A 31 0.535 -6.331 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.101 -3.415 -11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.119 -4.138 -10.196 1.00 0.00 H new ATOM 488 N HIS A 32 -1.583 -6.871 -12.588 1.00 0.00 N ATOM 489 CA HIS A 32 -2.969 -7.115 -12.972 1.00 0.00 C ATOM 490 C HIS A 32 -3.616 -8.140 -12.045 1.00 0.00 C ATOM 491 O HIS A 32 -3.398 -9.343 -12.184 1.00 0.00 O ATOM 492 CB HIS A 32 -3.041 -7.603 -14.419 1.00 0.00 C ATOM 493 CG HIS A 32 -4.381 -7.395 -15.055 1.00 0.00 C ATOM 494 ND1 HIS A 32 -4.719 -7.915 -16.287 1.00 0.00 N ATOM 495 CD2 HIS A 32 -5.472 -6.720 -14.621 1.00 0.00 C ATOM 496 CE1 HIS A 32 -5.958 -7.567 -16.584 1.00 0.00 C ATOM 497 NE2 HIS A 32 -6.438 -6.842 -15.590 1.00 0.00 N ATOM 0 H HIS A 32 -0.973 -7.685 -12.668 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.515 -6.176 -12.886 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.284 -7.084 -15.007 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.795 -8.664 -14.449 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.565 -6.185 -13.687 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.489 -7.831 -17.487 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.374 -6.438 -15.549 1.00 0.00 H new ATOM 505 N TYR A 33 -4.412 -7.654 -11.098 1.00 0.00 N ATOM 506 CA TYR A 33 -5.089 -8.527 -10.146 1.00 0.00 C ATOM 507 C TYR A 33 -6.584 -8.599 -10.441 1.00 0.00 C ATOM 508 O TYR A 33 -7.255 -7.574 -10.557 1.00 0.00 O ATOM 509 CB TYR A 33 -4.862 -8.031 -8.717 1.00 0.00 C ATOM 510 CG TYR A 33 -3.453 -8.253 -8.215 1.00 0.00 C ATOM 511 CD1 TYR A 33 -2.910 -9.531 -8.154 1.00 0.00 C ATOM 512 CD2 TYR A 33 -2.666 -7.186 -7.802 1.00 0.00 C ATOM 513 CE1 TYR A 33 -1.624 -9.739 -7.695 1.00 0.00 C ATOM 514 CE2 TYR A 33 -1.378 -7.385 -7.343 1.00 0.00 C ATOM 515 CZ TYR A 33 -0.862 -8.663 -7.292 1.00 0.00 C ATOM 516 OH TYR A 33 0.420 -8.865 -6.834 1.00 0.00 O ATOM 0 H TYR A 33 -4.604 -6.661 -10.969 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.669 -9.528 -10.247 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.092 -6.967 -8.670 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.560 -8.537 -8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.504 -10.376 -8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.067 -6.184 -7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.218 -10.739 -7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.779 -6.544 -7.026 1.00 0.00 H new ATOM 0 HH TYR A 33 0.820 -8.004 -6.591 1.00 0.00 H new ATOM 526 N ALA A 34 -7.099 -9.819 -10.560 1.00 0.00 N ATOM 527 CA ALA A 34 -8.515 -10.027 -10.838 1.00 0.00 C ATOM 528 C ALA A 34 -9.313 -10.167 -9.546 1.00 0.00 C ATOM 529 O ALA A 34 -9.308 -11.224 -8.913 1.00 0.00 O ATOM 530 CB ALA A 34 -8.705 -11.255 -11.715 1.00 0.00 C ATOM 0 H ALA A 34 -6.557 -10.678 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.888 -9.153 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.767 -11.399 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.174 -11.115 -12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.310 -12.132 -11.203 1.00 0.00 H new ATOM 536 N LEU A 35 -9.996 -9.096 -9.159 1.00 0.00 N ATOM 537 CA LEU A 35 -10.799 -9.100 -7.941 1.00 0.00 C ATOM 538 C LEU A 35 -12.143 -9.782 -8.177 1.00 0.00 C ATOM 539 O LEU A 35 -12.774 -9.587 -9.215 1.00 0.00 O ATOM 540 CB LEU A 35 -11.020 -7.669 -7.448 1.00 0.00 C ATOM 541 CG LEU A 35 -10.866 -7.446 -5.943 1.00 0.00 C ATOM 542 CD1 LEU A 35 -11.348 -6.056 -5.557 1.00 0.00 C ATOM 543 CD2 LEU A 35 -11.626 -8.511 -5.166 1.00 0.00 C ATOM 0 H LEU A 35 -10.010 -8.214 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.257 -9.661 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.318 -7.015 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.022 -7.356 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.809 -7.525 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.231 -5.916 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.760 -5.307 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.399 -5.948 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.505 -8.337 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.684 -8.464 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.234 -9.496 -5.420 1.00 0.00 H new ATOM 555 N GLU A 36 -12.575 -10.580 -7.205 1.00 0.00 N ATOM 556 CA GLU A 36 -13.845 -11.289 -7.308 1.00 0.00 C ATOM 557 C GLU A 36 -14.652 -11.147 -6.020 1.00 0.00 C ATOM 558 O GLU A 36 -14.310 -11.734 -4.993 1.00 0.00 O ATOM 559 CB GLU A 36 -13.605 -12.769 -7.612 1.00 0.00 C ATOM 560 CG GLU A 36 -12.581 -13.006 -8.709 1.00 0.00 C ATOM 561 CD GLU A 36 -12.269 -14.477 -8.908 1.00 0.00 C ATOM 562 OE1 GLU A 36 -11.842 -15.130 -7.933 1.00 0.00 O ATOM 563 OE2 GLU A 36 -12.452 -14.975 -10.038 1.00 0.00 O ATOM 0 H GLU A 36 -12.065 -10.751 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.415 -10.846 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.273 -13.269 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.549 -13.230 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.953 -12.587 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.662 -12.473 -8.464 1.00 0.00 H new ATOM 570 N ILE A 37 -15.724 -10.365 -6.085 1.00 0.00 N ATOM 571 CA ILE A 37 -16.581 -10.147 -4.925 1.00 0.00 C ATOM 572 C ILE A 37 -17.899 -10.900 -5.066 1.00 0.00 C ATOM 573 O ILE A 37 -18.528 -10.879 -6.124 1.00 0.00 O ATOM 574 CB ILE A 37 -16.877 -8.650 -4.718 1.00 0.00 C ATOM 575 CG1 ILE A 37 -17.565 -8.426 -3.370 1.00 0.00 C ATOM 576 CG2 ILE A 37 -17.740 -8.119 -5.854 1.00 0.00 C ATOM 577 CD1 ILE A 37 -16.655 -7.827 -2.320 1.00 0.00 C ATOM 0 H ILE A 37 -16.020 -9.872 -6.927 1.00 0.00 H new ATOM 0 HA ILE A 37 -16.041 -10.526 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.933 -8.104 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -18.423 -7.769 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -17.950 -9.378 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.941 -7.060 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.216 -8.250 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -18.682 -8.667 -5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -17.209 -7.696 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -15.810 -8.494 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.290 -6.859 -2.664 1.00 0.00 H new ATOM 589 N SER A 38 -18.313 -11.564 -3.991 1.00 0.00 N ATOM 590 CA SER A 38 -19.556 -12.326 -3.995 1.00 0.00 C ATOM 591 C SER A 38 -20.363 -12.056 -2.729 1.00 0.00 C ATOM 592 O SER A 38 -19.866 -12.228 -1.615 1.00 0.00 O ATOM 593 CB SER A 38 -19.262 -13.822 -4.117 1.00 0.00 C ATOM 594 OG SER A 38 -20.265 -14.480 -4.871 1.00 0.00 O ATOM 0 H SER A 38 -17.806 -11.589 -3.107 1.00 0.00 H new ATOM 0 HA SER A 38 -20.145 -12.008 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 38 -18.292 -13.967 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.200 -14.266 -3.123 1.00 0.00 H new ATOM 0 HG SER A 38 -20.052 -15.434 -4.935 1.00 0.00 H new ATOM 600 N ASP A 39 -21.609 -11.633 -2.908 1.00 0.00 N ATOM 601 CA ASP A 39 -22.486 -11.340 -1.780 1.00 0.00 C ATOM 602 C ASP A 39 -23.912 -11.078 -2.255 1.00 0.00 C ATOM 603 O ASP A 39 -24.216 -11.210 -3.440 1.00 0.00 O ATOM 604 CB ASP A 39 -21.965 -10.131 -1.001 1.00 0.00 C ATOM 605 CG ASP A 39 -21.681 -8.942 -1.899 1.00 0.00 C ATOM 606 OD1 ASP A 39 -20.643 -8.957 -2.593 1.00 0.00 O ATOM 607 OD2 ASP A 39 -22.498 -7.998 -1.907 1.00 0.00 O ATOM 0 H ASP A 39 -22.035 -11.485 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.494 -12.209 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -22.698 -9.846 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -21.054 -10.409 -0.472 1.00 0.00 H new ATOM 612 N ALA A 40 -24.782 -10.706 -1.321 1.00 0.00 N ATOM 613 CA ALA A 40 -26.175 -10.425 -1.644 1.00 0.00 C ATOM 614 C ALA A 40 -26.480 -8.937 -1.512 1.00 0.00 C ATOM 615 O ALA A 40 -27.626 -8.546 -1.288 1.00 0.00 O ATOM 616 CB ALA A 40 -27.099 -11.237 -0.749 1.00 0.00 C ATOM 0 H ALA A 40 -24.546 -10.592 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 40 -26.347 -10.713 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -28.136 -11.017 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -26.907 -12.300 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -26.917 -10.977 0.294 1.00 0.00 H new ATOM 622 N GLN A 41 -25.447 -8.111 -1.650 1.00 0.00 N ATOM 623 CA GLN A 41 -25.606 -6.666 -1.543 1.00 0.00 C ATOM 624 C GLN A 41 -25.425 -5.997 -2.902 1.00 0.00 C ATOM 625 O GLN A 41 -25.793 -4.837 -3.088 1.00 0.00 O ATOM 626 CB GLN A 41 -24.601 -6.093 -0.542 1.00 0.00 C ATOM 627 CG GLN A 41 -24.680 -6.736 0.833 1.00 0.00 C ATOM 628 CD GLN A 41 -23.360 -6.685 1.578 1.00 0.00 C ATOM 629 OE1 GLN A 41 -22.950 -5.632 2.067 1.00 0.00 O ATOM 630 NE2 GLN A 41 -22.686 -7.826 1.667 1.00 0.00 N ATOM 0 H GLN A 41 -24.492 -8.418 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.617 -6.462 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -23.593 -6.222 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.770 -5.021 -0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -25.445 -6.231 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -24.993 -7.775 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -23.063 -8.675 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -21.791 -7.853 2.156 1.00 0.00 H new ATOM 639 N PHE A 42 -24.856 -6.736 -3.849 1.00 0.00 N ATOM 640 CA PHE A 42 -24.624 -6.214 -5.190 1.00 0.00 C ATOM 641 C PHE A 42 -25.764 -6.599 -6.128 1.00 0.00 C ATOM 642 O PHE A 42 -25.587 -6.664 -7.344 1.00 0.00 O ATOM 643 CB PHE A 42 -23.296 -6.736 -5.742 1.00 0.00 C ATOM 644 CG PHE A 42 -22.110 -5.909 -5.334 1.00 0.00 C ATOM 645 CD1 PHE A 42 -21.935 -5.531 -4.013 1.00 0.00 C ATOM 646 CD2 PHE A 42 -21.172 -5.510 -6.272 1.00 0.00 C ATOM 647 CE1 PHE A 42 -20.845 -4.770 -3.634 1.00 0.00 C ATOM 648 CE2 PHE A 42 -20.080 -4.750 -5.899 1.00 0.00 C ATOM 649 CZ PHE A 42 -19.917 -4.378 -4.579 1.00 0.00 C ATOM 0 H PHE A 42 -24.547 -7.698 -3.712 1.00 0.00 H new ATOM 0 HA PHE A 42 -24.580 -5.127 -5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.148 -7.761 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -23.351 -6.766 -6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -22.658 -5.834 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.296 -5.796 -7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -20.719 -4.482 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.354 -4.447 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.065 -3.782 -4.286 1.00 0.00 H new ATOM 659 N ASN A 43 -26.935 -6.854 -5.553 1.00 0.00 N ATOM 660 CA ASN A 43 -28.105 -7.235 -6.337 1.00 0.00 C ATOM 661 C ASN A 43 -28.936 -6.009 -6.703 1.00 0.00 C ATOM 662 O ASN A 43 -29.409 -5.284 -5.829 1.00 0.00 O ATOM 663 CB ASN A 43 -28.963 -8.234 -5.558 1.00 0.00 C ATOM 664 CG ASN A 43 -28.522 -9.668 -5.775 1.00 0.00 C ATOM 665 OD1 ASN A 43 -29.059 -10.372 -6.630 1.00 0.00 O ATOM 666 ND2 ASN A 43 -27.538 -10.108 -4.999 1.00 0.00 N ATOM 0 H ASN A 43 -27.099 -6.804 -4.548 1.00 0.00 H new ATOM 0 HA ASN A 43 -27.759 -7.705 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -28.914 -7.999 -4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -30.005 -8.127 -5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -27.198 -11.065 -5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -27.122 -9.489 -4.303 1.00 0.00 H new ATOM 673 N GLY A 44 -29.110 -5.785 -8.002 1.00 0.00 N ATOM 674 CA GLY A 44 -29.885 -4.647 -8.461 1.00 0.00 C ATOM 675 C GLY A 44 -29.011 -3.515 -8.962 1.00 0.00 C ATOM 676 O GLY A 44 -29.446 -2.696 -9.773 1.00 0.00 O ATOM 0 H GLY A 44 -28.728 -6.371 -8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -30.555 -4.966 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.511 -4.285 -7.646 1.00 0.00 H new ATOM 680 N LEU A 45 -27.775 -3.465 -8.477 1.00 0.00 N ATOM 681 CA LEU A 45 -26.837 -2.423 -8.880 1.00 0.00 C ATOM 682 C LEU A 45 -26.379 -2.628 -10.320 1.00 0.00 C ATOM 683 O LEU A 45 -26.571 -3.699 -10.896 1.00 0.00 O ATOM 684 CB LEU A 45 -25.626 -2.410 -7.945 1.00 0.00 C ATOM 685 CG LEU A 45 -25.864 -1.837 -6.547 1.00 0.00 C ATOM 686 CD1 LEU A 45 -24.951 -2.509 -5.533 1.00 0.00 C ATOM 687 CD2 LEU A 45 -25.650 -0.331 -6.545 1.00 0.00 C ATOM 0 H LEU A 45 -27.399 -4.134 -7.804 1.00 0.00 H new ATOM 0 HA LEU A 45 -27.350 -1.463 -8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -25.262 -3.432 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.831 -1.836 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.897 -2.037 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.134 -2.089 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.153 -3.580 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.911 -2.340 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.824 0.060 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.627 -0.108 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.346 0.136 -7.242 1.00 0.00 H new ATOM 699 N SER A 46 -25.772 -1.595 -10.896 1.00 0.00 N ATOM 700 CA SER A 46 -25.289 -1.662 -12.270 1.00 0.00 C ATOM 701 C SER A 46 -23.786 -1.923 -12.305 1.00 0.00 C ATOM 702 O SER A 46 -23.098 -1.795 -11.291 1.00 0.00 O ATOM 703 CB SER A 46 -25.609 -0.361 -13.009 1.00 0.00 C ATOM 704 OG SER A 46 -25.191 -0.428 -14.362 1.00 0.00 O ATOM 0 H SER A 46 -25.603 -0.702 -10.433 1.00 0.00 H new ATOM 0 HA SER A 46 -25.796 -2.489 -12.768 1.00 0.00 H new ATOM 0 HB2 SER A 46 -26.681 -0.168 -12.965 1.00 0.00 H new ATOM 0 HB3 SER A 46 -25.114 0.474 -12.513 1.00 0.00 H new ATOM 0 HG SER A 46 -25.408 0.414 -14.813 1.00 0.00 H new ATOM 710 N LEU A 47 -23.283 -2.290 -13.478 1.00 0.00 N ATOM 711 CA LEU A 47 -21.861 -2.570 -13.647 1.00 0.00 C ATOM 712 C LEU A 47 -21.016 -1.376 -13.214 1.00 0.00 C ATOM 713 O LEU A 47 -19.855 -1.531 -12.834 1.00 0.00 O ATOM 714 CB LEU A 47 -21.560 -2.920 -15.105 1.00 0.00 C ATOM 715 CG LEU A 47 -21.834 -4.367 -15.518 1.00 0.00 C ATOM 716 CD1 LEU A 47 -20.999 -5.327 -14.686 1.00 0.00 C ATOM 717 CD2 LEU A 47 -23.315 -4.689 -15.381 1.00 0.00 C ATOM 0 H LEU A 47 -23.838 -2.401 -14.326 1.00 0.00 H new ATOM 0 HA LEU A 47 -21.606 -3.421 -13.015 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -22.149 -2.263 -15.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.511 -2.699 -15.302 1.00 0.00 H new ATOM 0 HG LEU A 47 -21.552 -4.486 -16.564 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.207 -6.352 -14.994 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -19.941 -5.112 -14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.249 -5.207 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.492 -5.722 -15.679 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.623 -4.553 -14.344 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -23.893 -4.023 -16.021 1.00 0.00 H new ATOM 729 N ILE A 48 -21.606 -0.187 -13.273 1.00 0.00 N ATOM 730 CA ILE A 48 -20.909 1.032 -12.883 1.00 0.00 C ATOM 731 C ILE A 48 -20.933 1.220 -11.370 1.00 0.00 C ATOM 732 O ILE A 48 -19.937 1.617 -10.768 1.00 0.00 O ATOM 733 CB ILE A 48 -21.527 2.273 -13.554 1.00 0.00 C ATOM 734 CG1 ILE A 48 -21.525 2.112 -15.075 1.00 0.00 C ATOM 735 CG2 ILE A 48 -20.768 3.527 -13.148 1.00 0.00 C ATOM 736 CD1 ILE A 48 -20.141 1.943 -15.663 1.00 0.00 C ATOM 0 H ILE A 48 -22.565 -0.042 -13.587 1.00 0.00 H new ATOM 0 HA ILE A 48 -19.877 0.925 -13.216 1.00 0.00 H new ATOM 0 HB ILE A 48 -22.560 2.372 -13.220 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -22.132 1.247 -15.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -21.998 2.985 -15.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -21.216 4.396 -13.630 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -20.816 3.647 -12.066 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.726 3.438 -13.457 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -20.216 1.834 -16.745 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -19.536 2.819 -15.427 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -19.672 1.054 -15.241 1.00 0.00 H new ATOM 748 N ASN A 49 -22.079 0.930 -10.762 1.00 0.00 N ATOM 749 CA ASN A 49 -22.233 1.066 -9.318 1.00 0.00 C ATOM 750 C ASN A 49 -21.404 0.018 -8.581 1.00 0.00 C ATOM 751 O ASN A 49 -20.786 0.310 -7.558 1.00 0.00 O ATOM 752 CB ASN A 49 -23.706 0.935 -8.927 1.00 0.00 C ATOM 753 CG ASN A 49 -24.602 1.856 -9.732 1.00 0.00 C ATOM 754 OD1 ASN A 49 -24.144 2.850 -10.295 1.00 0.00 O ATOM 755 ND2 ASN A 49 -25.888 1.529 -9.789 1.00 0.00 N ATOM 0 H ASN A 49 -22.914 0.600 -11.246 1.00 0.00 H new ATOM 0 HA ASN A 49 -21.874 2.054 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -24.027 -0.097 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -23.819 1.159 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -26.539 2.111 -10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -26.224 0.695 -9.307 1.00 0.00 H new ATOM 762 N GLN A 50 -21.397 -1.201 -9.110 1.00 0.00 N ATOM 763 CA GLN A 50 -20.644 -2.292 -8.502 1.00 0.00 C ATOM 764 C GLN A 50 -19.143 -2.032 -8.588 1.00 0.00 C ATOM 765 O GLN A 50 -18.399 -2.315 -7.649 1.00 0.00 O ATOM 766 CB GLN A 50 -20.983 -3.617 -9.186 1.00 0.00 C ATOM 767 CG GLN A 50 -22.456 -3.985 -9.103 1.00 0.00 C ATOM 768 CD GLN A 50 -22.941 -4.731 -10.331 1.00 0.00 C ATOM 769 OE1 GLN A 50 -22.173 -4.994 -11.256 1.00 0.00 O ATOM 770 NE2 GLN A 50 -24.223 -5.077 -10.345 1.00 0.00 N ATOM 0 H GLN A 50 -21.903 -1.458 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 50 -20.925 -2.351 -7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -20.690 -3.561 -10.234 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -20.392 -4.412 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -22.624 -4.600 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.047 -3.078 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.824 -4.839 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.606 -5.581 -11.144 1.00 0.00 H new ATOM 779 N HIS A 51 -18.705 -1.491 -9.720 1.00 0.00 N ATOM 780 CA HIS A 51 -17.293 -1.192 -9.928 1.00 0.00 C ATOM 781 C HIS A 51 -16.882 0.057 -9.154 1.00 0.00 C ATOM 782 O HIS A 51 -15.721 0.210 -8.773 1.00 0.00 O ATOM 783 CB HIS A 51 -17.004 -1.001 -11.418 1.00 0.00 C ATOM 784 CG HIS A 51 -15.626 -1.429 -11.821 1.00 0.00 C ATOM 785 ND1 HIS A 51 -14.517 -0.623 -11.677 1.00 0.00 N ATOM 786 CD2 HIS A 51 -15.182 -2.586 -12.363 1.00 0.00 C ATOM 787 CE1 HIS A 51 -13.449 -1.266 -12.116 1.00 0.00 C ATOM 788 NE2 HIS A 51 -13.825 -2.460 -12.537 1.00 0.00 N ATOM 0 H HIS A 51 -19.307 -1.251 -10.507 1.00 0.00 H new ATOM 0 HA HIS A 51 -16.710 -2.036 -9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.735 -1.566 -11.997 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -17.138 0.050 -11.674 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.782 -3.448 -12.613 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -12.440 -0.881 -12.128 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -13.208 -3.172 -12.928 1.00 0.00 H new ATOM 796 N LYS A 52 -17.841 0.947 -8.926 1.00 0.00 N ATOM 797 CA LYS A 52 -17.580 2.183 -8.197 1.00 0.00 C ATOM 798 C LYS A 52 -17.576 1.936 -6.692 1.00 0.00 C ATOM 799 O LYS A 52 -16.729 2.462 -5.968 1.00 0.00 O ATOM 800 CB LYS A 52 -18.631 3.238 -8.549 1.00 0.00 C ATOM 801 CG LYS A 52 -18.250 4.644 -8.117 1.00 0.00 C ATOM 802 CD LYS A 52 -19.476 5.519 -7.923 1.00 0.00 C ATOM 803 CE LYS A 52 -19.900 6.182 -9.224 1.00 0.00 C ATOM 804 NZ LYS A 52 -20.827 7.324 -8.989 1.00 0.00 N ATOM 0 H LYS A 52 -18.807 0.836 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.596 2.548 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.795 3.230 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.577 2.967 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.683 4.599 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.597 5.092 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.297 4.916 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.264 6.284 -7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.017 6.535 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.386 5.446 -9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.093 7.749 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.681 6.983 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.355 8.038 -8.399 1.00 0.00 H new ATOM 818 N LEU A 53 -18.526 1.133 -6.226 1.00 0.00 N ATOM 819 CA LEU A 53 -18.631 0.815 -4.806 1.00 0.00 C ATOM 820 C LEU A 53 -17.291 0.338 -4.255 1.00 0.00 C ATOM 821 O LEU A 53 -16.777 0.889 -3.281 1.00 0.00 O ATOM 822 CB LEU A 53 -19.699 -0.256 -4.581 1.00 0.00 C ATOM 823 CG LEU A 53 -21.119 0.253 -4.331 1.00 0.00 C ATOM 824 CD1 LEU A 53 -22.091 -0.910 -4.217 1.00 0.00 C ATOM 825 CD2 LEU A 53 -21.163 1.113 -3.076 1.00 0.00 C ATOM 0 H LEU A 53 -19.235 0.690 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 53 -18.919 1.723 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -19.718 -0.911 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -19.399 -0.867 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 53 -21.419 0.868 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.096 -0.528 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.080 -1.485 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.795 -1.552 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.181 1.467 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -20.843 0.522 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -20.497 1.967 -3.197 1.00 0.00 H new ATOM 837 N VAL A 54 -16.730 -0.689 -4.884 1.00 0.00 N ATOM 838 CA VAL A 54 -15.448 -1.239 -4.459 1.00 0.00 C ATOM 839 C VAL A 54 -14.392 -0.145 -4.343 1.00 0.00 C ATOM 840 O VAL A 54 -13.506 -0.210 -3.491 1.00 0.00 O ATOM 841 CB VAL A 54 -14.948 -2.319 -5.437 1.00 0.00 C ATOM 842 CG1 VAL A 54 -15.860 -3.535 -5.402 1.00 0.00 C ATOM 843 CG2 VAL A 54 -14.850 -1.756 -6.847 1.00 0.00 C ATOM 0 H VAL A 54 -17.143 -1.158 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 54 -15.607 -1.692 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.952 -2.633 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.491 -4.287 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -15.874 -3.950 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -16.870 -3.241 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.495 -2.532 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.833 -1.413 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.152 -0.919 -6.857 1.00 0.00 H new ATOM 853 N LYS A 55 -14.493 0.860 -5.206 1.00 0.00 N ATOM 854 CA LYS A 55 -13.548 1.971 -5.200 1.00 0.00 C ATOM 855 C LYS A 55 -13.898 2.977 -4.109 1.00 0.00 C ATOM 856 O LYS A 55 -13.023 3.659 -3.577 1.00 0.00 O ATOM 857 CB LYS A 55 -13.537 2.665 -6.564 1.00 0.00 C ATOM 858 CG LYS A 55 -13.003 1.792 -7.687 1.00 0.00 C ATOM 859 CD LYS A 55 -11.493 1.643 -7.606 1.00 0.00 C ATOM 860 CE LYS A 55 -11.096 0.401 -6.823 1.00 0.00 C ATOM 861 NZ LYS A 55 -9.868 -0.235 -7.377 1.00 0.00 N ATOM 0 H LYS A 55 -15.220 0.928 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.555 1.570 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.551 2.979 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.931 3.568 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.470 0.808 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.276 2.227 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.077 1.588 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.064 2.526 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.928 0.668 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.916 -0.317 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.630 -1.078 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.036 -0.513 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.079 0.441 -7.337 1.00 0.00 H new ATOM 875 N ASN A 56 -15.183 3.064 -3.780 1.00 0.00 N ATOM 876 CA ASN A 56 -15.648 3.987 -2.751 1.00 0.00 C ATOM 877 C ASN A 56 -15.363 3.436 -1.357 1.00 0.00 C ATOM 878 O ASN A 56 -15.062 4.188 -0.431 1.00 0.00 O ATOM 879 CB ASN A 56 -17.147 4.249 -2.911 1.00 0.00 C ATOM 880 CG ASN A 56 -17.525 4.581 -4.342 1.00 0.00 C ATOM 881 OD1 ASN A 56 -16.770 5.236 -5.060 1.00 0.00 O ATOM 882 ND2 ASN A 56 -18.701 4.129 -4.762 1.00 0.00 N ATOM 0 H ASN A 56 -15.921 2.507 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.107 4.926 -2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.704 3.370 -2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.441 5.072 -2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -19.010 4.321 -5.715 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -19.295 3.590 -4.132 1.00 0.00 H new ATOM 889 N ALA A 57 -15.460 2.118 -1.216 1.00 0.00 N ATOM 890 CA ALA A 57 -15.210 1.465 0.063 1.00 0.00 C ATOM 891 C ALA A 57 -13.772 1.685 0.520 1.00 0.00 C ATOM 892 O ALA A 57 -13.445 1.487 1.691 1.00 0.00 O ATOM 893 CB ALA A 57 -15.513 -0.023 -0.035 1.00 0.00 C ATOM 0 H ALA A 57 -15.710 1.481 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.872 1.911 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.322 -0.497 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.559 -0.164 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.876 -0.475 -0.795 1.00 0.00 H new ATOM 899 N LEU A 58 -12.917 2.095 -0.410 1.00 0.00 N ATOM 900 CA LEU A 58 -11.512 2.341 -0.103 1.00 0.00 C ATOM 901 C LEU A 58 -11.149 3.802 -0.349 1.00 0.00 C ATOM 902 O LEU A 58 -10.034 4.233 -0.054 1.00 0.00 O ATOM 903 CB LEU A 58 -10.618 1.432 -0.948 1.00 0.00 C ATOM 904 CG LEU A 58 -10.889 1.434 -2.453 1.00 0.00 C ATOM 905 CD1 LEU A 58 -10.225 2.632 -3.114 1.00 0.00 C ATOM 906 CD2 LEU A 58 -10.404 0.138 -3.084 1.00 0.00 C ATOM 0 H LEU A 58 -13.172 2.264 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.352 2.119 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.580 1.724 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.723 0.411 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.965 1.510 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.429 2.616 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.621 3.551 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.148 2.588 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.605 0.157 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.332 0.031 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.927 -0.705 -2.632 1.00 0.00 H new ATOM 918 N SER A 59 -12.098 4.559 -0.889 1.00 0.00 N ATOM 919 CA SER A 59 -11.878 5.972 -1.176 1.00 0.00 C ATOM 920 C SER A 59 -12.270 6.837 0.018 1.00 0.00 C ATOM 921 O SER A 59 -12.099 8.055 -0.002 1.00 0.00 O ATOM 922 CB SER A 59 -12.678 6.394 -2.410 1.00 0.00 C ATOM 923 OG SER A 59 -12.509 7.775 -2.680 1.00 0.00 O ATOM 0 H SER A 59 -13.027 4.218 -1.137 1.00 0.00 H new ATOM 0 HA SER A 59 -10.816 6.116 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.357 5.810 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.735 6.178 -2.254 1.00 0.00 H new ATOM 0 HG SER A 59 -12.324 8.252 -1.844 1.00 0.00 H new ATOM 929 N GLU A 60 -12.796 6.196 1.057 1.00 0.00 N ATOM 930 CA GLU A 60 -13.214 6.906 2.260 1.00 0.00 C ATOM 931 C GLU A 60 -12.228 6.670 3.401 1.00 0.00 C ATOM 932 O GLU A 60 -11.850 7.602 4.112 1.00 0.00 O ATOM 933 CB GLU A 60 -14.615 6.460 2.683 1.00 0.00 C ATOM 934 CG GLU A 60 -14.779 4.951 2.749 1.00 0.00 C ATOM 935 CD GLU A 60 -16.186 4.533 3.131 1.00 0.00 C ATOM 936 OE1 GLU A 60 -16.977 5.411 3.535 1.00 0.00 O ATOM 937 OE2 GLU A 60 -16.495 3.328 3.026 1.00 0.00 O ATOM 0 H GLU A 60 -12.943 5.187 1.090 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.233 7.972 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.843 6.885 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.344 6.866 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.526 4.519 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.074 4.544 3.474 1.00 0.00 H new ATOM 944 N ILE A 61 -11.815 5.419 3.569 1.00 0.00 N ATOM 945 CA ILE A 61 -10.873 5.060 4.622 1.00 0.00 C ATOM 946 C ILE A 61 -9.435 5.119 4.117 1.00 0.00 C ATOM 947 O ILE A 61 -8.492 5.209 4.904 1.00 0.00 O ATOM 948 CB ILE A 61 -11.154 3.650 5.173 1.00 0.00 C ATOM 949 CG1 ILE A 61 -12.603 3.546 5.653 1.00 0.00 C ATOM 950 CG2 ILE A 61 -10.191 3.321 6.304 1.00 0.00 C ATOM 951 CD1 ILE A 61 -13.286 2.261 5.239 1.00 0.00 C ATOM 0 H ILE A 61 -12.118 4.636 2.989 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.004 5.787 5.424 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.003 2.926 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.624 3.625 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.169 4.391 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.403 2.321 6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.167 3.359 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.313 4.047 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.310 2.256 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -13.297 2.189 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -12.744 1.411 5.653 1.00 0.00 H new ATOM 963 N LEU A 62 -9.275 5.070 2.799 1.00 0.00 N ATOM 964 CA LEU A 62 -7.951 5.119 2.187 1.00 0.00 C ATOM 965 C LEU A 62 -7.072 3.983 2.699 1.00 0.00 C ATOM 966 O LEU A 62 -5.883 4.172 2.953 1.00 0.00 O ATOM 967 CB LEU A 62 -7.285 6.466 2.476 1.00 0.00 C ATOM 968 CG LEU A 62 -7.734 7.638 1.604 1.00 0.00 C ATOM 969 CD1 LEU A 62 -7.490 7.334 0.134 1.00 0.00 C ATOM 970 CD2 LEU A 62 -9.203 7.953 1.849 1.00 0.00 C ATOM 0 H LEU A 62 -10.045 4.996 2.134 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.070 5.003 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.470 6.724 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.207 6.347 2.363 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.145 8.514 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.816 8.180 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.427 7.159 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.052 6.445 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.505 8.790 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.808 7.079 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.349 8.215 2.897 1.00 0.00 H new ATOM 982 N ASN A 63 -7.665 2.803 2.847 1.00 0.00 N ATOM 983 CA ASN A 63 -6.934 1.635 3.326 1.00 0.00 C ATOM 984 C ASN A 63 -5.770 1.303 2.399 1.00 0.00 C ATOM 985 O ASN A 63 -4.632 1.146 2.843 1.00 0.00 O ATOM 986 CB ASN A 63 -7.872 0.432 3.438 1.00 0.00 C ATOM 987 CG ASN A 63 -8.476 0.295 4.822 1.00 0.00 C ATOM 988 OD1 ASN A 63 -8.033 0.942 5.771 1.00 0.00 O ATOM 989 ND2 ASN A 63 -9.492 -0.552 4.943 1.00 0.00 N ATOM 0 H ASN A 63 -8.649 2.630 2.642 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.533 1.868 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.672 0.529 2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.323 -0.477 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.938 -0.687 5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.826 -1.067 4.129 1.00 0.00 H new ATOM 996 N LYS A 64 -6.062 1.197 1.107 1.00 0.00 N ATOM 997 CA LYS A 64 -5.040 0.885 0.114 1.00 0.00 C ATOM 998 C LYS A 64 -4.876 2.033 -0.877 1.00 0.00 C ATOM 999 O LYS A 64 -5.797 2.824 -1.085 1.00 0.00 O ATOM 1000 CB LYS A 64 -5.401 -0.401 -0.633 1.00 0.00 C ATOM 1001 CG LYS A 64 -4.203 -1.281 -0.942 1.00 0.00 C ATOM 1002 CD LYS A 64 -3.718 -1.082 -2.369 1.00 0.00 C ATOM 1003 CE LYS A 64 -2.246 -0.701 -2.409 1.00 0.00 C ATOM 1004 NZ LYS A 64 -1.375 -1.880 -2.675 1.00 0.00 N ATOM 0 H LYS A 64 -6.998 1.323 0.723 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.094 0.741 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.115 -0.969 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.901 -0.141 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.395 -1.054 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.470 -2.327 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.873 -1.998 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.310 -0.303 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.086 0.050 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.962 -0.247 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.716 -2.011 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.964 -2.730 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.836 -1.723 -3.550 1.00 0.00 H new ATOM 1018 N LYS A 65 -3.700 2.117 -1.489 1.00 0.00 N ATOM 1019 CA LYS A 65 -3.416 3.166 -2.461 1.00 0.00 C ATOM 1020 C LYS A 65 -4.396 3.106 -3.628 1.00 0.00 C ATOM 1021 O LYS A 65 -5.194 2.174 -3.735 1.00 0.00 O ATOM 1022 CB LYS A 65 -1.981 3.036 -2.978 1.00 0.00 C ATOM 1023 CG LYS A 65 -0.931 3.479 -1.975 1.00 0.00 C ATOM 1024 CD LYS A 65 -0.747 4.987 -1.990 1.00 0.00 C ATOM 1025 CE LYS A 65 0.175 5.426 -3.117 1.00 0.00 C ATOM 1026 NZ LYS A 65 0.745 6.780 -2.872 1.00 0.00 N ATOM 0 H LYS A 65 -2.927 1.471 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.530 4.129 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.795 1.997 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.876 3.629 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.223 3.157 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.018 2.993 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.717 5.472 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.336 5.314 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.985 4.705 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.377 5.429 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.368 7.043 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.027 7.473 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.293 6.771 -1.988 1.00 0.00 H new ATOM 1040 N LEU A 66 -4.330 4.104 -4.502 1.00 0.00 N ATOM 1041 CA LEU A 66 -5.211 4.164 -5.664 1.00 0.00 C ATOM 1042 C LEU A 66 -4.542 3.544 -6.887 1.00 0.00 C ATOM 1043 O LEU A 66 -3.537 4.054 -7.383 1.00 0.00 O ATOM 1044 CB LEU A 66 -5.599 5.613 -5.960 1.00 0.00 C ATOM 1045 CG LEU A 66 -6.848 6.133 -5.247 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -6.613 6.210 -3.747 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -7.248 7.494 -5.797 1.00 0.00 C ATOM 0 H LEU A 66 -3.676 4.883 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.111 3.593 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.759 6.255 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.749 5.715 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.665 5.435 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.512 6.582 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.375 5.217 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.783 6.886 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.139 7.849 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.433 8.202 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.459 7.408 -6.863 1.00 0.00 H new ATOM 1059 N HIS A 67 -5.108 2.442 -7.369 1.00 0.00 N ATOM 1060 CA HIS A 67 -4.568 1.754 -8.537 1.00 0.00 C ATOM 1061 C HIS A 67 -5.690 1.299 -9.466 1.00 0.00 C ATOM 1062 O HIS A 67 -6.866 1.552 -9.205 1.00 0.00 O ATOM 1063 CB HIS A 67 -3.729 0.552 -8.104 1.00 0.00 C ATOM 1064 CG HIS A 67 -2.482 0.927 -7.364 1.00 0.00 C ATOM 1065 ND1 HIS A 67 -2.057 0.273 -6.226 1.00 0.00 N ATOM 1066 CD2 HIS A 67 -1.566 1.893 -7.606 1.00 0.00 C ATOM 1067 CE1 HIS A 67 -0.934 0.823 -5.800 1.00 0.00 C ATOM 1068 NE2 HIS A 67 -0.614 1.808 -6.620 1.00 0.00 N ATOM 0 H HIS A 67 -5.939 2.007 -6.970 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.933 2.454 -9.079 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.336 -0.095 -7.471 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.458 -0.028 -8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.581 2.600 -8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.373 0.519 -4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.207 2.408 -6.535 1.00 0.00 H new ATOM 1076 N SER A 68 -5.317 0.628 -10.551 1.00 0.00 N ATOM 1077 CA SER A 68 -6.291 0.142 -11.521 1.00 0.00 C ATOM 1078 C SER A 68 -6.206 -1.375 -11.663 1.00 0.00 C ATOM 1079 O SER A 68 -5.141 -1.924 -11.946 1.00 0.00 O ATOM 1080 CB SER A 68 -6.063 0.806 -12.880 1.00 0.00 C ATOM 1081 OG SER A 68 -5.868 2.202 -12.740 1.00 0.00 O ATOM 0 H SER A 68 -4.348 0.409 -10.780 1.00 0.00 H new ATOM 0 HA SER A 68 -7.287 0.401 -11.160 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.194 0.361 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.919 0.619 -13.528 1.00 0.00 H new ATOM 0 HG SER A 68 -5.723 2.602 -13.623 1.00 0.00 H new ATOM 1087 N ILE A 69 -7.335 -2.046 -11.463 1.00 0.00 N ATOM 1088 CA ILE A 69 -7.390 -3.498 -11.569 1.00 0.00 C ATOM 1089 C ILE A 69 -8.778 -3.967 -11.990 1.00 0.00 C ATOM 1090 O ILE A 69 -9.730 -3.186 -12.008 1.00 0.00 O ATOM 1091 CB ILE A 69 -7.014 -4.175 -10.237 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -7.852 -3.600 -9.094 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -5.530 -3.998 -9.954 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -7.557 -4.231 -7.751 1.00 0.00 C ATOM 0 H ILE A 69 -8.225 -1.607 -11.226 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.665 -3.786 -12.331 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.224 -5.242 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.675 -2.527 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.909 -3.735 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.279 -4.482 -9.010 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.950 -4.450 -10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.296 -2.935 -9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.188 -3.774 -6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.762 -5.301 -7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.509 -4.073 -7.497 1.00 0.00 H new ATOM 1106 N SER A 70 -8.888 -5.249 -12.327 1.00 0.00 N ATOM 1107 CA SER A 70 -10.160 -5.822 -12.750 1.00 0.00 C ATOM 1108 C SER A 70 -11.022 -6.180 -11.543 1.00 0.00 C ATOM 1109 O SER A 70 -10.560 -6.837 -10.609 1.00 0.00 O ATOM 1110 CB SER A 70 -9.923 -7.065 -13.609 1.00 0.00 C ATOM 1111 OG SER A 70 -11.149 -7.668 -13.984 1.00 0.00 O ATOM 0 H SER A 70 -8.111 -5.910 -12.315 1.00 0.00 H new ATOM 0 HA SER A 70 -10.688 -5.075 -13.343 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.361 -6.792 -14.502 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.316 -7.782 -13.057 1.00 0.00 H new ATOM 0 HG SER A 70 -10.970 -8.459 -14.534 1.00 0.00 H new ATOM 1117 N ILE A 71 -12.277 -5.745 -11.571 1.00 0.00 N ATOM 1118 CA ILE A 71 -13.205 -6.020 -10.480 1.00 0.00 C ATOM 1119 C ILE A 71 -14.436 -6.768 -10.981 1.00 0.00 C ATOM 1120 O ILE A 71 -15.343 -6.174 -11.564 1.00 0.00 O ATOM 1121 CB ILE A 71 -13.655 -4.723 -9.783 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -12.445 -3.978 -9.214 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -14.658 -5.034 -8.682 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -12.577 -2.473 -9.281 1.00 0.00 C ATOM 0 H ILE A 71 -12.675 -5.201 -12.337 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.672 -6.642 -9.762 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.140 -4.082 -10.519 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.300 -4.276 -8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.552 -4.281 -9.760 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -14.967 -4.107 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.530 -5.527 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -14.197 -5.692 -7.945 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.684 -2.010 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.691 -2.164 -10.320 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.451 -2.159 -8.711 1.00 0.00 H new ATOM 1136 N LYS A 72 -14.462 -8.076 -10.749 1.00 0.00 N ATOM 1137 CA LYS A 72 -15.582 -8.907 -11.173 1.00 0.00 C ATOM 1138 C LYS A 72 -16.698 -8.887 -10.133 1.00 0.00 C ATOM 1139 O LYS A 72 -16.443 -8.965 -8.931 1.00 0.00 O ATOM 1140 CB LYS A 72 -15.117 -10.345 -11.409 1.00 0.00 C ATOM 1141 CG LYS A 72 -16.238 -11.290 -11.808 1.00 0.00 C ATOM 1142 CD LYS A 72 -15.801 -12.743 -11.718 1.00 0.00 C ATOM 1143 CE LYS A 72 -16.957 -13.690 -12.000 1.00 0.00 C ATOM 1144 NZ LYS A 72 -16.735 -15.032 -11.392 1.00 0.00 N ATOM 0 H LYS A 72 -13.719 -8.584 -10.269 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.971 -8.500 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.356 -10.348 -12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.644 -10.719 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.100 -11.128 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.558 -11.068 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.996 -12.927 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.400 -12.943 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.880 -13.262 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.085 -13.796 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.545 -15.649 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.867 -15.451 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.638 -14.934 -10.361 1.00 0.00 H new ATOM 1158 N THR A 73 -17.938 -8.784 -10.604 1.00 0.00 N ATOM 1159 CA THR A 73 -19.092 -8.755 -9.715 1.00 0.00 C ATOM 1160 C THR A 73 -19.833 -10.087 -9.732 1.00 0.00 C ATOM 1161 O THR A 73 -20.138 -10.625 -10.796 1.00 0.00 O ATOM 1162 CB THR A 73 -20.072 -7.631 -10.104 1.00 0.00 C ATOM 1163 OG1 THR A 73 -20.735 -7.962 -11.329 1.00 0.00 O ATOM 1164 CG2 THR A 73 -19.341 -6.306 -10.258 1.00 0.00 C ATOM 0 H THR A 73 -18.168 -8.719 -11.596 1.00 0.00 H new ATOM 0 HA THR A 73 -18.713 -8.566 -8.711 1.00 0.00 H new ATOM 0 HB THR A 73 -20.810 -7.530 -9.308 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.595 -8.911 -11.531 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.053 -5.528 -10.533 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.862 -6.043 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.584 -6.397 -11.037 1.00 0.00 H new ATOM 1172 N ILE A 74 -20.120 -10.614 -8.546 1.00 0.00 N ATOM 1173 CA ILE A 74 -20.827 -11.883 -8.425 1.00 0.00 C ATOM 1174 C ILE A 74 -21.953 -11.789 -7.401 1.00 0.00 C ATOM 1175 O ILE A 74 -21.762 -11.278 -6.298 1.00 0.00 O ATOM 1176 CB ILE A 74 -19.873 -13.022 -8.020 1.00 0.00 C ATOM 1177 CG1 ILE A 74 -18.749 -13.166 -9.049 1.00 0.00 C ATOM 1178 CG2 ILE A 74 -20.639 -14.329 -7.878 1.00 0.00 C ATOM 1179 CD1 ILE A 74 -17.519 -12.351 -8.718 1.00 0.00 C ATOM 0 H ILE A 74 -19.874 -10.182 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 74 -21.249 -12.105 -9.405 1.00 0.00 H new ATOM 0 HB ILE A 74 -19.428 -12.778 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.469 -14.217 -9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.122 -12.864 -10.028 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.951 -15.125 -7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -21.407 -14.219 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -21.109 -14.581 -8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.764 -12.502 -9.490 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.784 -11.295 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.121 -12.668 -7.754 1.00 0.00 H new ATOM 1191 N SER A 75 -23.127 -12.289 -7.774 1.00 0.00 N ATOM 1192 CA SER A 75 -24.285 -12.261 -6.889 1.00 0.00 C ATOM 1193 C SER A 75 -24.876 -13.657 -6.723 1.00 0.00 C ATOM 1194 O SER A 75 -24.674 -14.533 -7.565 1.00 0.00 O ATOM 1195 CB SER A 75 -25.349 -11.306 -7.437 1.00 0.00 C ATOM 1196 OG SER A 75 -25.756 -11.690 -8.738 1.00 0.00 O ATOM 0 H SER A 75 -23.301 -12.718 -8.683 1.00 0.00 H new ATOM 0 HA SER A 75 -23.956 -11.906 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.212 -11.296 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 75 -24.953 -10.291 -7.461 1.00 0.00 H new ATOM 0 HG SER A 75 -26.437 -11.066 -9.065 1.00 0.00 H new ATOM 1202 N ILE A 76 -25.608 -13.857 -5.632 1.00 0.00 N ATOM 1203 CA ILE A 76 -26.230 -15.146 -5.355 1.00 0.00 C ATOM 1204 C ILE A 76 -25.187 -16.257 -5.290 1.00 0.00 C ATOM 1205 O ILE A 76 -25.067 -17.084 -6.195 1.00 0.00 O ATOM 1206 CB ILE A 76 -27.280 -15.506 -6.423 1.00 0.00 C ATOM 1207 CG1 ILE A 76 -28.318 -14.388 -6.544 1.00 0.00 C ATOM 1208 CG2 ILE A 76 -27.953 -16.826 -6.080 1.00 0.00 C ATOM 1209 CD1 ILE A 76 -27.961 -13.341 -7.576 1.00 0.00 C ATOM 0 H ILE A 76 -25.785 -13.143 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 76 -26.724 -15.056 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 76 -26.778 -15.616 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -29.283 -14.825 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -28.435 -13.905 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -28.692 -17.067 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -27.204 -17.616 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -28.446 -16.742 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -28.741 -12.580 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -27.012 -12.876 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -27.873 -13.811 -8.556 1.00 0.00 H new ATOM 1221 N PRO A 77 -24.413 -16.279 -4.194 1.00 0.00 N ATOM 1222 CA PRO A 77 -23.368 -17.285 -3.984 1.00 0.00 C ATOM 1223 C PRO A 77 -23.943 -18.674 -3.726 1.00 0.00 C ATOM 1224 O PRO A 77 -23.326 -19.684 -4.063 1.00 0.00 O ATOM 1225 CB PRO A 77 -22.629 -16.774 -2.745 1.00 0.00 C ATOM 1226 CG PRO A 77 -23.633 -15.948 -2.018 1.00 0.00 C ATOM 1227 CD PRO A 77 -24.501 -15.325 -3.077 1.00 0.00 C ATOM 0 HA PRO A 77 -22.731 -17.400 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -22.274 -17.599 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -21.755 -16.183 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -24.225 -16.562 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -23.145 -15.183 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.528 -15.202 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -24.140 -14.337 -3.363 1.00 0.00 H new TER 1235 PRO A 77