USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 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 57 LYS NZ :NH3+ -157:sc= 1.29 (180deg=-0.042) USER MOD Set 1.2: A 60 THR OG1 : rot -130:sc= 1.07 USER MOD Set 2.1: A 23 ASN : amide:sc= -0.0463 K(o=1,f=0.15) USER MOD Set 2.2: A 34 SER OG : rot 41:sc= 1.07 USER MOD Set 3.1: A 14 SER OG : rot 110:sc= 0.82 USER MOD Set 3.2: A 21 TYR OH : rot -120:sc= 0.945 USER MOD Set 4.1: A 1 LYS N :NH3+ -160:sc= -2.12! (180deg=-3.63!) USER MOD Set 4.2: A 3 ASN : amide:sc= 1.12 K(o=-1,f=-11!) USER MOD Single : A 1 LYS NZ :NH3+ -151:sc= 2.06 (180deg=0.214) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= -0.778 (180deg=-0.984) USER MOD Single : A 5 TYR OH : rot -26:sc= 0.628 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -130:sc= 0.219 USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= 1.12 (180deg=0.565) USER MOD Single : A 19 ASN : amide:sc= 0.349 K(o=0.35,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 24 ASN : amide:sc=-0.00404 X(o=-0.004,f=0) USER MOD Single : A 27 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -13:sc= 1.25 USER MOD Single : A 31 TYR OH : rot 112:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 36 TYR OH : rot -33:sc= 0.424 USER MOD Single : A 41 SER OG : rot 42:sc= 1.21 USER MOD Single : A 43 TYR OH : rot -19:sc= 0.448 USER MOD Single : A 51 LYS NZ :NH3+ -106:sc= 0.193! (180deg=-4.32!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 1.18 (180deg=-0.113) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.17 K(o=1.2,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 9.015 2.405 -5.660 1.00 0.00 N ATOM 2 CA LYS A 1 9.520 3.508 -6.457 1.00 0.00 C ATOM 3 C LYS A 1 8.328 4.338 -6.924 1.00 0.00 C ATOM 4 O LYS A 1 8.341 5.561 -6.818 1.00 0.00 O ATOM 5 CB LYS A 1 10.345 3.010 -7.652 1.00 0.00 C ATOM 6 CG LYS A 1 11.761 2.533 -7.281 1.00 0.00 C ATOM 7 CD LYS A 1 11.827 1.261 -6.421 1.00 0.00 C ATOM 8 CE LYS A 1 11.284 0.038 -7.172 1.00 0.00 C ATOM 9 NZ LYS A 1 11.278 -1.168 -6.327 1.00 0.00 N ATOM 0 H1 LYS A 1 9.779 2.031 -5.061 1.00 0.00 H new ATOM 0 H2 LYS A 1 8.236 2.740 -5.058 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.668 1.653 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 1 10.189 4.119 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.811 2.190 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.424 3.812 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.319 2.358 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 1 12.268 3.337 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.859 1.076 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 1 11.253 1.410 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.271 0.244 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.892 -0.143 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 11.391 -2.011 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.063 -1.119 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 10.376 -1.227 -5.812 1.00 0.00 H new ATOM 19 N LYS A 2 7.288 3.659 -7.420 1.00 0.00 N ATOM 20 CA LYS A 2 6.054 4.314 -7.814 1.00 0.00 C ATOM 21 C LYS A 2 5.138 4.436 -6.603 1.00 0.00 C ATOM 22 O LYS A 2 4.399 5.406 -6.486 1.00 0.00 O ATOM 23 CB LYS A 2 5.414 3.528 -8.956 1.00 0.00 C ATOM 24 CG LYS A 2 5.038 2.088 -8.583 1.00 0.00 C ATOM 25 CD LYS A 2 3.664 1.985 -7.894 1.00 0.00 C ATOM 26 CE LYS A 2 2.883 0.768 -8.378 1.00 0.00 C ATOM 27 NZ LYS A 2 2.677 0.664 -9.834 1.00 0.00 N ATOM 0 H LYS A 2 7.286 2.648 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 2 6.248 5.323 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.518 4.053 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.103 3.506 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.034 1.474 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.802 1.678 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.801 1.924 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.089 2.889 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.402 -0.129 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.907 0.772 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.025 -0.120 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.272 1.553 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.589 0.486 -10.302 1.00 0.00 H new ATOM 37 N ASN A 3 5.219 3.435 -5.714 1.00 0.00 N ATOM 38 CA ASN A 3 4.541 3.335 -4.434 1.00 0.00 C ATOM 39 C ASN A 3 3.020 3.409 -4.631 1.00 0.00 C ATOM 40 O ASN A 3 2.431 4.477 -4.793 1.00 0.00 O ATOM 41 CB ASN A 3 5.007 4.462 -3.524 1.00 0.00 C ATOM 42 CG ASN A 3 6.513 4.646 -3.447 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.301 3.810 -3.883 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.921 5.757 -2.858 1.00 0.00 N ATOM 0 H ASN A 3 5.805 2.620 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 3 4.784 2.377 -3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.560 5.395 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.627 4.278 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.919 5.942 -2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.238 6.429 -2.508 1.00 0.00 H new ATOM 50 N GLY A 4 2.394 2.241 -4.633 1.00 0.00 N ATOM 51 CA GLY A 4 1.025 2.003 -5.087 1.00 0.00 C ATOM 52 C GLY A 4 0.198 1.472 -3.930 1.00 0.00 C ATOM 53 O GLY A 4 0.592 1.599 -2.771 1.00 0.00 O ATOM 0 H GLY A 4 2.847 1.389 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.589 2.927 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.022 1.288 -5.910 1.00 0.00 H new ATOM 57 N TYR A 5 -0.919 0.824 -4.268 1.00 0.00 N ATOM 58 CA TYR A 5 -1.624 -0.052 -3.353 1.00 0.00 C ATOM 59 C TYR A 5 -1.528 -1.466 -3.869 1.00 0.00 C ATOM 60 O TYR A 5 -1.790 -1.693 -5.045 1.00 0.00 O ATOM 61 CB TYR A 5 -3.130 0.294 -3.303 1.00 0.00 C ATOM 62 CG TYR A 5 -3.751 1.319 -2.375 1.00 0.00 C ATOM 63 CD1 TYR A 5 -2.959 2.249 -1.703 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.144 1.518 -2.429 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.549 3.323 -1.005 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.728 2.634 -1.809 1.00 0.00 C ATOM 67 CZ TYR A 5 -4.939 3.497 -1.043 1.00 0.00 C ATOM 68 OH TYR A 5 -5.526 4.528 -0.379 1.00 0.00 O ATOM 0 H TYR A 5 -1.354 0.898 -5.188 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.179 0.063 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.402 0.600 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.648 -0.644 -3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.884 2.146 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.767 0.807 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.932 4.009 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.785 2.825 -1.924 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.964 4.791 0.380 1.00 0.00 H new ATOM 77 N ALA A 6 -1.157 -2.402 -2.997 1.00 0.00 N ATOM 78 CA ALA A 6 -0.778 -3.728 -3.478 1.00 0.00 C ATOM 79 C ALA A 6 -1.816 -4.787 -3.129 1.00 0.00 C ATOM 80 O ALA A 6 -2.290 -4.840 -1.996 1.00 0.00 O ATOM 81 CB ALA A 6 0.570 -4.105 -2.907 1.00 0.00 C ATOM 0 H ALA A 6 -1.111 -2.274 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.721 -3.685 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.853 -5.095 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.316 -3.377 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.514 -4.116 -1.819 1.00 0.00 H new ATOM 87 N VAL A 7 -2.165 -5.613 -4.119 1.00 0.00 N ATOM 88 CA VAL A 7 -3.169 -6.660 -4.062 1.00 0.00 C ATOM 89 C VAL A 7 -2.697 -7.747 -5.035 1.00 0.00 C ATOM 90 O VAL A 7 -2.002 -7.425 -5.997 1.00 0.00 O ATOM 91 CB VAL A 7 -4.552 -6.075 -4.435 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.928 -4.979 -3.419 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.573 -5.512 -5.867 1.00 0.00 C ATOM 0 H VAL A 7 -1.722 -5.559 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.284 -7.085 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.285 -6.881 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.902 -4.563 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.970 -5.409 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.178 -4.188 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.563 -5.112 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.832 -4.717 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.339 -6.308 -6.574 1.00 0.00 H new ATOM 103 N ASP A 8 -3.031 -9.015 -4.774 1.00 0.00 N ATOM 104 CA ASP A 8 -2.498 -10.188 -5.426 1.00 0.00 C ATOM 105 C ASP A 8 -2.576 -10.085 -6.949 1.00 0.00 C ATOM 106 O ASP A 8 -1.563 -10.052 -7.641 1.00 0.00 O ATOM 107 CB ASP A 8 -3.261 -11.423 -4.907 1.00 0.00 C ATOM 108 CG ASP A 8 -3.558 -11.520 -3.415 1.00 0.00 C ATOM 109 OD1 ASP A 8 -3.249 -10.557 -2.681 1.00 0.00 O ATOM 110 OD2 ASP A 8 -4.200 -12.530 -3.053 1.00 0.00 O ATOM 0 H ASP A 8 -3.720 -9.250 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.439 -10.279 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.211 -11.473 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.691 -12.308 -5.190 1.00 0.00 H new ATOM 114 N SER A 9 -3.807 -10.083 -7.458 1.00 0.00 N ATOM 115 CA SER A 9 -4.160 -9.954 -8.860 1.00 0.00 C ATOM 116 C SER A 9 -5.672 -9.709 -8.931 1.00 0.00 C ATOM 117 O SER A 9 -6.372 -10.256 -9.779 1.00 0.00 O ATOM 118 CB SER A 9 -3.740 -11.230 -9.605 1.00 0.00 C ATOM 119 OG SER A 9 -3.503 -10.969 -10.974 1.00 0.00 O ATOM 0 H SER A 9 -4.629 -10.177 -6.862 1.00 0.00 H new ATOM 0 HA SER A 9 -3.645 -9.120 -9.337 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.839 -11.640 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.520 -11.985 -9.506 1.00 0.00 H new ATOM 0 HG SER A 9 -3.236 -11.798 -11.424 1.00 0.00 H new ATOM 124 N SER A 10 -6.201 -8.952 -7.963 1.00 0.00 N ATOM 125 CA SER A 10 -7.626 -8.721 -7.824 1.00 0.00 C ATOM 126 C SER A 10 -7.815 -7.507 -6.925 1.00 0.00 C ATOM 127 O SER A 10 -8.163 -6.428 -7.393 1.00 0.00 O ATOM 128 CB SER A 10 -8.292 -9.967 -7.223 1.00 0.00 C ATOM 129 OG SER A 10 -7.522 -10.457 -6.136 1.00 0.00 O ATOM 0 H SER A 10 -5.639 -8.483 -7.253 1.00 0.00 H new ATOM 0 HA SER A 10 -8.090 -8.532 -8.792 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.299 -9.723 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.391 -10.739 -7.986 1.00 0.00 H new ATOM 0 HG SER A 10 -7.372 -11.419 -6.249 1.00 0.00 H new ATOM 134 N GLY A 11 -7.562 -7.699 -5.628 1.00 0.00 N ATOM 135 CA GLY A 11 -7.762 -6.645 -4.650 1.00 0.00 C ATOM 136 C GLY A 11 -7.911 -7.078 -3.191 1.00 0.00 C ATOM 137 O GLY A 11 -8.782 -6.568 -2.489 1.00 0.00 O ATOM 0 H GLY A 11 -7.219 -8.577 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.920 -5.956 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.654 -6.085 -4.931 1.00 0.00 H new ATOM 141 N LYS A 12 -7.051 -7.972 -2.696 1.00 0.00 N ATOM 142 CA LYS A 12 -7.013 -8.285 -1.272 1.00 0.00 C ATOM 143 C LYS A 12 -6.337 -7.129 -0.527 1.00 0.00 C ATOM 144 O LYS A 12 -5.189 -7.245 -0.111 1.00 0.00 O ATOM 145 CB LYS A 12 -6.256 -9.598 -1.024 1.00 0.00 C ATOM 146 CG LYS A 12 -7.008 -10.879 -1.411 1.00 0.00 C ATOM 147 CD LYS A 12 -7.193 -11.046 -2.926 1.00 0.00 C ATOM 148 CE LYS A 12 -7.620 -12.470 -3.312 1.00 0.00 C ATOM 149 NZ LYS A 12 -6.613 -13.483 -2.930 1.00 0.00 N ATOM 0 H LYS A 12 -6.376 -8.488 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.031 -8.413 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.318 -9.567 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.999 -9.654 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.466 -11.741 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.987 -10.875 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.943 -10.337 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.260 -10.800 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.569 -12.705 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.789 -12.517 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.532 -14.194 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.692 -13.021 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.905 -13.947 -2.047 1.00 0.00 H new ATOM 159 N VAL A 13 -7.028 -5.998 -0.370 1.00 0.00 N ATOM 160 CA VAL A 13 -6.451 -4.870 0.350 1.00 0.00 C ATOM 161 C VAL A 13 -6.276 -5.217 1.836 1.00 0.00 C ATOM 162 O VAL A 13 -7.232 -5.507 2.553 1.00 0.00 O ATOM 163 CB VAL A 13 -7.222 -3.561 0.123 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.298 -3.220 -1.370 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.625 -3.562 0.734 1.00 0.00 C ATOM 0 H VAL A 13 -7.971 -5.843 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.459 -4.683 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.654 -2.790 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.849 -2.289 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.290 -3.105 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.809 -4.023 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.110 -2.606 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.213 -4.366 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.553 -3.714 1.811 1.00 0.00 H new ATOM 175 N SER A 14 -5.032 -5.174 2.300 1.00 0.00 N ATOM 176 CA SER A 14 -4.666 -5.466 3.677 1.00 0.00 C ATOM 177 C SER A 14 -4.962 -4.248 4.551 1.00 0.00 C ATOM 178 O SER A 14 -4.036 -3.621 5.047 1.00 0.00 O ATOM 179 CB SER A 14 -3.184 -5.878 3.738 1.00 0.00 C ATOM 180 OG SER A 14 -3.053 -7.258 3.461 1.00 0.00 O ATOM 0 H SER A 14 -4.234 -4.929 1.714 1.00 0.00 H new ATOM 0 HA SER A 14 -5.256 -6.299 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.607 -5.298 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.777 -5.657 4.725 1.00 0.00 H new ATOM 0 HG SER A 14 -2.627 -7.377 2.587 1.00 0.00 H new ATOM 185 N GLU A 15 -6.236 -3.902 4.756 1.00 0.00 N ATOM 186 CA GLU A 15 -6.566 -2.867 5.735 1.00 0.00 C ATOM 187 C GLU A 15 -6.244 -3.355 7.148 1.00 0.00 C ATOM 188 O GLU A 15 -5.879 -4.514 7.345 1.00 0.00 O ATOM 189 CB GLU A 15 -8.032 -2.439 5.618 1.00 0.00 C ATOM 190 CG GLU A 15 -8.270 -0.922 5.712 1.00 0.00 C ATOM 191 CD GLU A 15 -9.055 -0.534 6.953 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.592 -0.939 8.041 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.097 0.131 6.788 1.00 0.00 O ATOM 0 H GLU A 15 -7.035 -4.311 4.271 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.954 -1.989 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.425 -2.796 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.604 -2.932 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.310 -0.406 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.808 -0.586 4.826 1.00 0.00 H new ATOM 198 N CYS A 16 -6.414 -2.449 8.106 1.00 0.00 N ATOM 199 CA CYS A 16 -6.050 -2.536 9.525 1.00 0.00 C ATOM 200 C CYS A 16 -5.905 -1.141 10.142 1.00 0.00 C ATOM 201 O CYS A 16 -5.894 -0.134 9.443 1.00 0.00 O ATOM 202 CB CYS A 16 -4.712 -3.254 9.776 1.00 0.00 C ATOM 203 SG CYS A 16 -3.222 -2.257 9.502 1.00 0.00 S ATOM 0 H CYS A 16 -6.850 -1.551 7.894 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.861 -3.106 9.979 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.702 -3.615 10.804 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.664 -4.131 9.130 1.00 0.00 H new ATOM 207 N LEU A 17 -5.670 -1.098 11.459 1.00 0.00 N ATOM 208 CA LEU A 17 -5.118 0.047 12.148 1.00 0.00 C ATOM 209 C LEU A 17 -3.590 -0.070 12.284 1.00 0.00 C ATOM 210 O LEU A 17 -2.869 0.906 12.083 1.00 0.00 O ATOM 211 CB LEU A 17 -5.833 0.247 13.492 1.00 0.00 C ATOM 212 CG LEU A 17 -5.732 -0.846 14.578 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.031 -0.202 15.938 1.00 0.00 C ATOM 214 CD2 LEU A 17 -6.732 -2.000 14.387 1.00 0.00 C ATOM 0 H LEU A 17 -5.867 -1.883 12.079 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.295 0.944 11.555 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.459 1.174 13.926 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.891 0.399 13.279 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.727 -1.263 14.513 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.965 -0.958 16.721 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.306 0.588 16.134 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.035 0.222 15.927 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.603 -2.730 15.187 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.749 -1.608 14.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.554 -2.481 13.425 1.00 0.00 H new ATOM 225 N LEU A 18 -3.072 -1.255 12.627 1.00 0.00 N ATOM 226 CA LEU A 18 -1.667 -1.452 12.955 1.00 0.00 C ATOM 227 C LEU A 18 -0.790 -1.544 11.699 1.00 0.00 C ATOM 228 O LEU A 18 -0.269 -2.610 11.371 1.00 0.00 O ATOM 229 CB LEU A 18 -1.532 -2.669 13.881 1.00 0.00 C ATOM 230 CG LEU A 18 -2.218 -3.931 13.319 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.247 -5.103 13.375 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.477 -4.294 14.116 1.00 0.00 C ATOM 0 H LEU A 18 -3.627 -2.109 12.683 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.295 -0.579 13.491 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.475 -2.879 14.045 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.964 -2.429 14.853 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.510 -3.721 12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.731 -5.996 12.978 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.364 -4.873 12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.950 -5.280 14.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.932 -5.188 13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.208 -4.484 15.155 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.187 -3.468 14.070 1.00 0.00 H new ATOM 243 N ASN A 19 -0.623 -0.401 11.028 1.00 0.00 N ATOM 244 CA ASN A 19 0.313 -0.095 9.939 1.00 0.00 C ATOM 245 C ASN A 19 1.366 -1.167 9.604 1.00 0.00 C ATOM 246 O ASN A 19 1.466 -1.598 8.454 1.00 0.00 O ATOM 247 CB ASN A 19 0.985 1.265 10.199 1.00 0.00 C ATOM 248 CG ASN A 19 1.802 1.360 11.487 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.779 0.475 12.338 1.00 0.00 O ATOM 250 ND2 ASN A 19 2.525 2.462 11.648 1.00 0.00 N ATOM 0 H ASN A 19 -1.194 0.413 11.255 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.310 -0.068 9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.638 1.495 9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.213 2.034 10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.079 2.589 12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.526 3.181 10.925 1.00 0.00 H new ATOM 256 N ASN A 20 2.173 -1.575 10.585 1.00 0.00 N ATOM 257 CA ASN A 20 3.258 -2.539 10.434 1.00 0.00 C ATOM 258 C ASN A 20 2.800 -3.813 9.724 1.00 0.00 C ATOM 259 O ASN A 20 3.542 -4.356 8.907 1.00 0.00 O ATOM 260 CB ASN A 20 3.858 -2.878 11.806 1.00 0.00 C ATOM 261 CG ASN A 20 4.583 -1.698 12.454 1.00 0.00 C ATOM 262 OD1 ASN A 20 4.825 -0.673 11.825 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.943 -1.832 13.727 1.00 0.00 N ATOM 0 H ASN A 20 2.083 -1.229 11.540 1.00 0.00 H new ATOM 0 HA ASN A 20 4.023 -2.078 9.809 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.062 -3.216 12.470 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.555 -3.708 11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.432 -1.073 14.201 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.731 -2.694 14.229 1.00 0.00 H new ATOM 269 N TYR A 21 1.582 -4.289 10.012 1.00 0.00 N ATOM 270 CA TYR A 21 0.987 -5.417 9.303 1.00 0.00 C ATOM 271 C TYR A 21 1.039 -5.176 7.792 1.00 0.00 C ATOM 272 O TYR A 21 1.540 -6.009 7.038 1.00 0.00 O ATOM 273 CB TYR A 21 -0.458 -5.628 9.783 1.00 0.00 C ATOM 274 CG TYR A 21 -1.332 -6.451 8.854 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.106 -7.832 8.694 1.00 0.00 C ATOM 276 CD2 TYR A 21 -2.345 -5.823 8.106 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.860 -8.566 7.760 1.00 0.00 C ATOM 278 CE2 TYR A 21 -3.123 -6.567 7.206 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.839 -7.920 6.984 1.00 0.00 C ATOM 280 OH TYR A 21 -3.447 -8.572 5.948 1.00 0.00 O ATOM 0 H TYR A 21 0.986 -3.900 10.743 1.00 0.00 H new ATOM 0 HA TYR A 21 1.555 -6.322 9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.433 -6.114 10.758 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.923 -4.653 9.925 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.353 -8.328 9.289 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.524 -4.765 8.225 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.687 -9.625 7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.942 -6.095 6.684 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.272 -8.092 5.112 1.00 0.00 H new ATOM 289 N CYS A 22 0.529 -4.022 7.359 1.00 0.00 N ATOM 290 CA CYS A 22 0.487 -3.665 5.950 1.00 0.00 C ATOM 291 C CYS A 22 1.883 -3.706 5.377 1.00 0.00 C ATOM 292 O CYS A 22 2.108 -4.365 4.373 1.00 0.00 O ATOM 293 CB CYS A 22 -0.071 -2.257 5.748 1.00 0.00 C ATOM 294 SG CYS A 22 -1.489 -2.187 4.667 1.00 0.00 S ATOM 0 H CYS A 22 0.135 -3.313 7.978 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.162 -4.381 5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.346 -1.843 6.718 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.715 -1.621 5.341 1.00 0.00 H new ATOM 298 N ASN A 23 2.812 -2.990 6.010 1.00 0.00 N ATOM 299 CA ASN A 23 4.194 -2.921 5.616 1.00 0.00 C ATOM 300 C ASN A 23 4.774 -4.314 5.384 1.00 0.00 C ATOM 301 O ASN A 23 5.252 -4.619 4.289 1.00 0.00 O ATOM 302 CB ASN A 23 4.902 -2.219 6.780 1.00 0.00 C ATOM 303 CG ASN A 23 6.185 -1.579 6.341 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.208 -2.237 6.195 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.122 -0.275 6.131 1.00 0.00 N ATOM 0 H ASN A 23 2.603 -2.429 6.836 1.00 0.00 H new ATOM 0 HA ASN A 23 4.321 -2.385 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.243 -1.461 7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.107 -2.941 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.954 0.234 5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.242 0.222 6.269 1.00 0.00 H new ATOM 311 N ASN A 24 4.690 -5.163 6.415 1.00 0.00 N ATOM 312 CA ASN A 24 5.149 -6.526 6.393 1.00 0.00 C ATOM 313 C ASN A 24 4.637 -7.262 5.165 1.00 0.00 C ATOM 314 O ASN A 24 5.424 -7.745 4.358 1.00 0.00 O ATOM 315 CB ASN A 24 4.667 -7.213 7.672 1.00 0.00 C ATOM 316 CG ASN A 24 5.530 -8.425 7.914 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.165 -9.560 7.622 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.722 -8.149 8.423 1.00 0.00 N ATOM 0 H ASN A 24 4.284 -4.895 7.311 1.00 0.00 H new ATOM 0 HA ASN A 24 6.238 -6.542 6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.729 -6.528 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.621 -7.505 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.391 -8.900 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.970 -7.185 8.646 1.00 0.00 H new ATOM 324 N ILE A 25 3.314 -7.329 5.011 1.00 0.00 N ATOM 325 CA ILE A 25 2.689 -8.018 3.899 1.00 0.00 C ATOM 326 C ILE A 25 3.181 -7.433 2.584 1.00 0.00 C ATOM 327 O ILE A 25 3.417 -8.163 1.624 1.00 0.00 O ATOM 328 CB ILE A 25 1.165 -7.860 4.027 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.656 -8.522 5.312 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.420 -8.388 2.799 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.545 -10.049 5.247 1.00 0.00 C ATOM 0 H ILE A 25 2.651 -6.904 5.659 1.00 0.00 H new ATOM 0 HA ILE A 25 2.949 -9.076 3.915 1.00 0.00 H new ATOM 0 HB ILE A 25 0.956 -6.792 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.324 -8.255 6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.324 -8.110 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.653 -8.254 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.742 -7.839 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.639 -9.448 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.177 -10.428 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.147 -10.330 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.526 -10.477 5.041 1.00 0.00 H new ATOM 342 N CYS A 26 3.298 -6.108 2.536 1.00 0.00 N ATOM 343 CA CYS A 26 3.474 -5.432 1.266 1.00 0.00 C ATOM 344 C CYS A 26 4.793 -5.780 0.616 1.00 0.00 C ATOM 345 O CYS A 26 4.860 -6.022 -0.587 1.00 0.00 O ATOM 346 CB CYS A 26 3.192 -3.925 1.255 1.00 0.00 C ATOM 347 SG CYS A 26 2.514 -3.631 -0.386 1.00 0.00 S ATOM 0 H CYS A 26 3.274 -5.495 3.351 1.00 0.00 H new ATOM 0 HA CYS A 26 2.673 -5.836 0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.486 -3.644 2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.100 -3.346 1.423 1.00 0.00 H new ATOM 351 N THR A 27 5.842 -5.836 1.432 1.00 0.00 N ATOM 352 CA THR A 27 7.108 -6.367 0.960 1.00 0.00 C ATOM 353 C THR A 27 7.016 -7.890 0.771 1.00 0.00 C ATOM 354 O THR A 27 7.365 -8.398 -0.293 1.00 0.00 O ATOM 355 CB THR A 27 8.267 -5.869 1.841 1.00 0.00 C ATOM 356 OG1 THR A 27 9.506 -6.181 1.246 1.00 0.00 O ATOM 357 CG2 THR A 27 8.236 -6.410 3.265 1.00 0.00 C ATOM 0 H THR A 27 5.839 -5.526 2.404 1.00 0.00 H new ATOM 0 HA THR A 27 7.337 -5.981 -0.033 1.00 0.00 H new ATOM 0 HB THR A 27 8.140 -4.789 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.640 -5.618 0.455 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.084 -6.014 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.308 -6.105 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.293 -7.498 3.242 1.00 0.00 H new ATOM 365 N LYS A 28 6.498 -8.613 1.772 1.00 0.00 N ATOM 366 CA LYS A 28 6.513 -10.070 1.836 1.00 0.00 C ATOM 367 C LYS A 28 5.961 -10.703 0.558 1.00 0.00 C ATOM 368 O LYS A 28 6.561 -11.625 0.006 1.00 0.00 O ATOM 369 CB LYS A 28 5.700 -10.508 3.062 1.00 0.00 C ATOM 370 CG LYS A 28 5.726 -12.012 3.351 1.00 0.00 C ATOM 371 CD LYS A 28 4.919 -12.251 4.636 1.00 0.00 C ATOM 372 CE LYS A 28 4.923 -13.733 5.033 1.00 0.00 C ATOM 373 NZ LYS A 28 4.172 -13.961 6.285 1.00 0.00 N ATOM 0 H LYS A 28 6.046 -8.184 2.579 1.00 0.00 H new ATOM 0 HA LYS A 28 7.544 -10.413 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.076 -9.978 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.664 -10.198 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.296 -12.569 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.751 -12.361 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.338 -11.655 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.892 -11.915 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.484 -14.327 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.951 -14.075 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.195 -14.973 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.606 -13.413 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.185 -13.657 6.158 1.00 0.00 H new ATOM 383 N VAL A 29 4.784 -10.249 0.129 1.00 0.00 N ATOM 384 CA VAL A 29 4.027 -10.806 -0.947 1.00 0.00 C ATOM 385 C VAL A 29 4.296 -10.016 -2.229 1.00 0.00 C ATOM 386 O VAL A 29 4.594 -10.601 -3.268 1.00 0.00 O ATOM 387 CB VAL A 29 2.561 -10.745 -0.494 1.00 0.00 C ATOM 388 CG1 VAL A 29 1.727 -11.473 -1.521 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.332 -11.427 0.866 1.00 0.00 C ATOM 0 H VAL A 29 4.327 -9.443 0.555 1.00 0.00 H new ATOM 0 HA VAL A 29 4.298 -11.837 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 29 2.285 -9.695 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.679 -11.445 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.842 -10.990 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.058 -12.509 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.279 -11.354 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.617 -12.477 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.937 -10.934 1.627 1.00 0.00 H new ATOM 399 N TYR A 30 4.137 -8.689 -2.174 1.00 0.00 N ATOM 400 CA TYR A 30 4.053 -7.844 -3.344 1.00 0.00 C ATOM 401 C TYR A 30 5.326 -7.039 -3.619 1.00 0.00 C ATOM 402 O TYR A 30 5.358 -6.274 -4.581 1.00 0.00 O ATOM 403 CB TYR A 30 2.866 -6.908 -3.144 1.00 0.00 C ATOM 404 CG TYR A 30 1.595 -7.516 -2.573 1.00 0.00 C ATOM 405 CD1 TYR A 30 0.921 -8.571 -3.215 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.032 -6.947 -1.422 1.00 0.00 C ATOM 407 CE1 TYR A 30 -0.279 -9.068 -2.672 1.00 0.00 C ATOM 408 CE2 TYR A 30 -0.189 -7.397 -0.915 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.849 -8.470 -1.534 1.00 0.00 C ATOM 410 OH TYR A 30 -2.026 -8.927 -1.027 1.00 0.00 O ATOM 0 H TYR A 30 4.063 -8.175 -1.296 1.00 0.00 H new ATOM 0 HA TYR A 30 3.925 -8.482 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.180 -6.099 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.623 -6.458 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.323 -8.998 -4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.552 -6.146 -0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.766 -9.915 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.624 -6.921 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.449 -9.529 -1.674 1.00 0.00 H new ATOM 419 N TYR A 31 6.363 -7.186 -2.790 1.00 0.00 N ATOM 420 CA TYR A 31 7.645 -6.521 -2.968 1.00 0.00 C ATOM 421 C TYR A 31 7.533 -5.001 -3.109 1.00 0.00 C ATOM 422 O TYR A 31 8.191 -4.371 -3.933 1.00 0.00 O ATOM 423 CB TYR A 31 8.505 -7.235 -3.995 1.00 0.00 C ATOM 424 CG TYR A 31 8.856 -8.647 -3.561 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.977 -8.842 -2.733 1.00 0.00 C ATOM 426 CD2 TYR A 31 7.893 -9.667 -3.675 1.00 0.00 C ATOM 427 CE1 TYR A 31 10.078 -9.998 -1.942 1.00 0.00 C ATOM 428 CE2 TYR A 31 7.962 -10.794 -2.838 1.00 0.00 C ATOM 429 CZ TYR A 31 9.034 -10.936 -1.941 1.00 0.00 C ATOM 430 OH TYR A 31 9.032 -11.942 -1.023 1.00 0.00 O ATOM 0 H TYR A 31 6.329 -7.782 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 31 8.203 -6.616 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.978 -7.269 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.421 -6.668 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.762 -8.101 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.102 -9.584 -4.405 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.956 -10.165 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.192 -11.550 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 31 8.290 -11.812 -0.397 1.00 0.00 H new ATOM 439 N ALA A 32 6.744 -4.397 -2.221 1.00 0.00 N ATOM 440 CA ALA A 32 7.085 -3.124 -1.611 1.00 0.00 C ATOM 441 C ALA A 32 8.387 -3.211 -0.796 1.00 0.00 C ATOM 442 O ALA A 32 8.957 -4.287 -0.618 1.00 0.00 O ATOM 443 CB ALA A 32 5.919 -2.765 -0.696 1.00 0.00 C ATOM 0 H ALA A 32 5.852 -4.781 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 32 7.251 -2.369 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.120 -1.812 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.005 -2.685 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.797 -3.541 0.059 1.00 0.00 H new ATOM 449 N THR A 33 8.825 -2.077 -0.249 1.00 0.00 N ATOM 450 CA THR A 33 9.778 -1.953 0.847 1.00 0.00 C ATOM 451 C THR A 33 9.079 -1.470 2.126 1.00 0.00 C ATOM 452 O THR A 33 9.506 -1.794 3.233 1.00 0.00 O ATOM 453 CB THR A 33 10.906 -0.990 0.465 1.00 0.00 C ATOM 454 OG1 THR A 33 10.388 0.306 0.232 1.00 0.00 O ATOM 455 CG2 THR A 33 11.627 -1.478 -0.791 1.00 0.00 C ATOM 0 H THR A 33 8.503 -1.168 -0.581 1.00 0.00 H new ATOM 0 HA THR A 33 10.205 -2.937 1.040 1.00 0.00 H new ATOM 0 HB THR A 33 11.614 -0.954 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.119 0.912 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.425 -0.781 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.052 -2.464 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.919 -1.537 -1.617 1.00 0.00 H new ATOM 463 N SER A 34 8.014 -0.673 1.995 1.00 0.00 N ATOM 464 CA SER A 34 7.198 -0.254 3.125 1.00 0.00 C ATOM 465 C SER A 34 5.761 -0.009 2.672 1.00 0.00 C ATOM 466 O SER A 34 5.398 -0.469 1.597 1.00 0.00 O ATOM 467 CB SER A 34 7.879 0.933 3.828 1.00 0.00 C ATOM 468 OG SER A 34 8.635 0.403 4.895 1.00 0.00 O ATOM 0 H SER A 34 7.698 -0.303 1.099 1.00 0.00 H new ATOM 0 HA SER A 34 7.122 -1.040 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.520 1.476 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.136 1.641 4.196 1.00 0.00 H new ATOM 0 HG SER A 34 9.082 -0.419 4.603 1.00 0.00 H new ATOM 473 N GLY A 35 4.932 0.677 3.464 1.00 0.00 N ATOM 474 CA GLY A 35 3.485 0.727 3.293 1.00 0.00 C ATOM 475 C GLY A 35 2.849 0.840 4.663 1.00 0.00 C ATOM 476 O GLY A 35 3.550 0.799 5.678 1.00 0.00 O ATOM 0 H GLY A 35 5.260 1.225 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.205 1.578 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.132 -0.169 2.783 1.00 0.00 H new ATOM 480 N TYR A 36 1.525 0.986 4.661 1.00 0.00 N ATOM 481 CA TYR A 36 0.689 1.081 5.840 1.00 0.00 C ATOM 482 C TYR A 36 -0.768 1.033 5.393 1.00 0.00 C ATOM 483 O TYR A 36 -1.083 1.204 4.210 1.00 0.00 O ATOM 484 CB TYR A 36 1.009 2.327 6.679 1.00 0.00 C ATOM 485 CG TYR A 36 1.125 3.632 5.924 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.046 4.127 5.167 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.308 4.384 6.024 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.215 5.272 4.377 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.428 5.590 5.323 1.00 0.00 C ATOM 490 CZ TYR A 36 1.418 5.986 4.438 1.00 0.00 C ATOM 491 OH TYR A 36 1.665 7.015 3.591 1.00 0.00 O ATOM 0 H TYR A 36 0.989 1.043 3.795 1.00 0.00 H new ATOM 0 HA TYR A 36 0.890 0.238 6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.233 2.438 7.436 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.947 2.153 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.910 3.625 5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.122 4.033 6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.579 5.602 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.298 6.214 5.465 1.00 0.00 H new ATOM 0 HH TYR A 36 1.239 6.836 2.726 1.00 0.00 H new ATOM 500 N CYS A 37 -1.641 0.809 6.372 1.00 0.00 N ATOM 501 CA CYS A 37 -3.081 0.768 6.200 1.00 0.00 C ATOM 502 C CYS A 37 -3.552 2.213 6.049 1.00 0.00 C ATOM 503 O CYS A 37 -3.890 2.879 7.023 1.00 0.00 O ATOM 504 CB CYS A 37 -3.706 0.031 7.392 1.00 0.00 C ATOM 505 SG CYS A 37 -3.207 -1.713 7.493 1.00 0.00 S ATOM 0 H CYS A 37 -1.351 0.646 7.336 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.390 0.217 5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.422 0.538 8.314 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.792 0.088 7.318 1.00 0.00 H new ATOM 509 N CYS A 38 -3.495 2.716 4.814 1.00 0.00 N ATOM 510 CA CYS A 38 -4.002 4.029 4.437 1.00 0.00 C ATOM 511 C CYS A 38 -5.531 4.001 4.534 1.00 0.00 C ATOM 512 O CYS A 38 -6.110 2.925 4.642 1.00 0.00 O ATOM 513 CB CYS A 38 -3.532 4.339 3.006 1.00 0.00 C ATOM 514 SG CYS A 38 -4.062 5.908 2.283 1.00 0.00 S ATOM 0 H CYS A 38 -3.084 2.206 4.032 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.628 4.810 5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.442 4.313 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.876 3.534 2.356 1.00 0.00 H new ATOM 518 N LEU A 39 -6.161 5.179 4.468 1.00 0.00 N ATOM 519 CA LEU A 39 -7.580 5.507 4.497 1.00 0.00 C ATOM 520 C LEU A 39 -8.558 4.328 4.529 1.00 0.00 C ATOM 521 O LEU A 39 -9.420 4.276 5.402 1.00 0.00 O ATOM 522 CB LEU A 39 -7.873 6.466 3.326 1.00 0.00 C ATOM 523 CG LEU A 39 -8.423 7.817 3.822 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.418 8.860 2.700 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.851 7.663 4.360 1.00 0.00 C ATOM 0 H LEU A 39 -5.609 6.032 4.382 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.765 5.981 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.960 6.632 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.593 6.006 2.650 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.770 8.156 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.811 9.803 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.398 9.008 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.041 8.511 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.217 8.631 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.500 7.291 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.853 6.958 5.191 1.00 0.00 H new ATOM 536 N LEU A 40 -8.463 3.421 3.553 1.00 0.00 N ATOM 537 CA LEU A 40 -9.221 2.175 3.559 1.00 0.00 C ATOM 538 C LEU A 40 -8.532 1.066 2.752 1.00 0.00 C ATOM 539 O LEU A 40 -9.212 0.226 2.169 1.00 0.00 O ATOM 540 CB LEU A 40 -10.662 2.443 3.086 1.00 0.00 C ATOM 541 CG LEU A 40 -10.831 3.304 1.836 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.059 2.814 0.604 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.319 3.434 1.490 1.00 0.00 C ATOM 0 H LEU A 40 -7.858 3.533 2.739 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.261 1.801 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.143 1.482 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.204 2.921 3.902 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.399 4.272 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.242 3.489 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.992 2.793 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.394 1.811 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.433 4.049 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.737 2.445 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.847 3.901 2.322 1.00 0.00 H new ATOM 554 N SER A 41 -7.197 1.059 2.663 1.00 0.00 N ATOM 555 CA SER A 41 -6.457 0.126 1.815 1.00 0.00 C ATOM 556 C SER A 41 -4.955 0.208 2.105 1.00 0.00 C ATOM 557 O SER A 41 -4.503 1.105 2.815 1.00 0.00 O ATOM 558 CB SER A 41 -6.704 0.455 0.336 1.00 0.00 C ATOM 559 OG SER A 41 -7.913 -0.078 -0.163 1.00 0.00 O ATOM 0 H SER A 41 -6.600 1.704 3.180 1.00 0.00 H new ATOM 0 HA SER A 41 -6.806 -0.884 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.713 1.538 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.874 0.071 -0.257 1.00 0.00 H new ATOM 0 HG SER A 41 -8.622 0.041 0.503 1.00 0.00 H new ATOM 564 N CYS A 42 -4.174 -0.716 1.533 1.00 0.00 N ATOM 565 CA CYS A 42 -2.755 -0.867 1.829 1.00 0.00 C ATOM 566 C CYS A 42 -1.858 -0.146 0.839 1.00 0.00 C ATOM 567 O CYS A 42 -1.581 -0.654 -0.259 1.00 0.00 O ATOM 568 CB CYS A 42 -2.396 -2.352 1.886 1.00 0.00 C ATOM 569 SG CYS A 42 -0.851 -2.663 2.757 1.00 0.00 S ATOM 0 H CYS A 42 -4.519 -1.385 0.844 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.580 -0.401 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.201 -2.897 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.321 -2.742 0.871 1.00 0.00 H new ATOM 573 N TYR A 43 -1.393 1.026 1.291 1.00 0.00 N ATOM 574 CA TYR A 43 -0.328 1.759 0.650 1.00 0.00 C ATOM 575 C TYR A 43 0.941 1.014 0.822 1.00 0.00 C ATOM 576 O TYR A 43 1.123 0.338 1.834 1.00 0.00 O ATOM 577 CB TYR A 43 -0.049 3.098 1.325 1.00 0.00 C ATOM 578 CG TYR A 43 0.448 4.204 0.378 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.052 4.240 -0.976 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.590 4.940 0.740 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.892 4.762 -1.973 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.320 5.652 -0.231 1.00 0.00 C ATOM 583 CZ TYR A 43 1.995 5.533 -1.592 1.00 0.00 C ATOM 584 OH TYR A 43 2.739 6.152 -2.549 1.00 0.00 O ATOM 0 H TYR A 43 -1.760 1.486 2.124 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.639 1.896 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.961 3.440 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.695 2.947 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.920 3.857 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.910 4.959 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.690 4.571 -3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.134 6.293 0.073 1.00 0.00 H new ATOM 0 HH TYR A 43 2.573 5.728 -3.417 1.00 0.00 H new ATOM 593 N CYS A 44 1.826 1.235 -0.137 1.00 0.00 N ATOM 594 CA CYS A 44 3.008 0.484 -0.242 1.00 0.00 C ATOM 595 C CYS A 44 4.054 1.354 -0.912 1.00 0.00 C ATOM 596 O CYS A 44 3.865 1.733 -2.064 1.00 0.00 O ATOM 597 CB CYS A 44 2.606 -0.668 -1.095 1.00 0.00 C ATOM 598 SG CYS A 44 1.482 -1.864 -0.331 1.00 0.00 S ATOM 0 H CYS A 44 1.718 1.951 -0.855 1.00 0.00 H new ATOM 0 HA CYS A 44 3.433 0.147 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.133 -0.280 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.507 -1.195 -1.409 1.00 0.00 H new ATOM 602 N PHE A 45 5.127 1.668 -0.190 1.00 0.00 N ATOM 603 CA PHE A 45 6.316 2.339 -0.684 1.00 0.00 C ATOM 604 C PHE A 45 7.264 1.296 -1.255 1.00 0.00 C ATOM 605 O PHE A 45 7.374 0.212 -0.696 1.00 0.00 O ATOM 606 CB PHE A 45 7.023 3.080 0.454 1.00 0.00 C ATOM 607 CG PHE A 45 6.227 4.223 1.050 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.276 3.950 2.045 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.399 5.546 0.597 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.506 4.983 2.590 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.614 6.582 1.139 1.00 0.00 C ATOM 612 CZ PHE A 45 4.680 6.303 2.151 1.00 0.00 C ATOM 0 H PHE A 45 5.189 1.448 0.804 1.00 0.00 H new ATOM 0 HA PHE A 45 6.028 3.058 -1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.258 2.367 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.971 3.469 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.138 2.937 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.132 5.765 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.774 4.763 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.730 7.593 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.099 7.101 2.588 1.00 0.00 H new ATOM 621 N GLY A 46 7.974 1.628 -2.332 1.00 0.00 N ATOM 622 CA GLY A 46 9.045 0.812 -2.876 1.00 0.00 C ATOM 623 C GLY A 46 8.583 -0.234 -3.889 1.00 0.00 C ATOM 624 O GLY A 46 9.426 -1.005 -4.348 1.00 0.00 O ATOM 0 H GLY A 46 7.814 2.488 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.777 1.464 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.554 0.307 -2.055 1.00 0.00 H new ATOM 628 N LEU A 47 7.282 -0.271 -4.224 1.00 0.00 N ATOM 629 CA LEU A 47 6.683 -1.297 -5.079 1.00 0.00 C ATOM 630 C LEU A 47 7.581 -1.654 -6.261 1.00 0.00 C ATOM 631 O LEU A 47 7.987 -0.774 -7.018 1.00 0.00 O ATOM 632 CB LEU A 47 5.308 -0.877 -5.605 1.00 0.00 C ATOM 633 CG LEU A 47 4.215 -0.727 -4.538 1.00 0.00 C ATOM 634 CD1 LEU A 47 2.851 -0.892 -5.152 1.00 0.00 C ATOM 635 CD2 LEU A 47 4.142 -1.831 -3.525 1.00 0.00 C ATOM 0 H LEU A 47 6.610 0.425 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 47 6.565 -2.177 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.413 0.072 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.978 -1.612 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 47 4.464 0.239 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.089 -0.782 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.703 -0.132 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.772 -1.882 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.337 -1.625 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.948 -2.777 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.088 -1.895 -2.987 1.00 0.00 H new ATOM 646 N ASP A 48 7.907 -2.943 -6.367 1.00 0.00 N ATOM 647 CA ASP A 48 8.900 -3.469 -7.295 1.00 0.00 C ATOM 648 C ASP A 48 8.244 -4.427 -8.284 1.00 0.00 C ATOM 649 O ASP A 48 8.172 -4.151 -9.477 1.00 0.00 O ATOM 650 CB ASP A 48 10.015 -4.165 -6.499 1.00 0.00 C ATOM 651 CG ASP A 48 11.239 -4.364 -7.369 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.920 -3.331 -7.556 1.00 0.00 O ATOM 653 OD2 ASP A 48 11.465 -5.505 -7.814 1.00 0.00 O ATOM 0 H ASP A 48 7.474 -3.666 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 48 9.338 -2.652 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.275 -3.567 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.661 -5.128 -6.132 1.00 0.00 H new ATOM 657 N ASP A 49 7.732 -5.537 -7.752 1.00 0.00 N ATOM 658 CA ASP A 49 7.027 -6.566 -8.502 1.00 0.00 C ATOM 659 C ASP A 49 5.742 -5.981 -9.107 1.00 0.00 C ATOM 660 O ASP A 49 5.422 -6.235 -10.266 1.00 0.00 O ATOM 661 CB ASP A 49 6.783 -7.734 -7.539 1.00 0.00 C ATOM 662 CG ASP A 49 6.246 -8.987 -8.198 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.292 -8.889 -8.999 1.00 0.00 O ATOM 664 OD2 ASP A 49 6.610 -10.095 -7.744 1.00 0.00 O ATOM 0 H ASP A 49 7.801 -5.747 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 49 7.605 -6.935 -9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.719 -7.976 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.081 -7.414 -6.769 1.00 0.00 H new ATOM 668 N ASP A 50 5.056 -5.127 -8.329 1.00 0.00 N ATOM 669 CA ASP A 50 4.022 -4.200 -8.811 1.00 0.00 C ATOM 670 C ASP A 50 2.901 -4.958 -9.537 1.00 0.00 C ATOM 671 O ASP A 50 2.476 -4.632 -10.642 1.00 0.00 O ATOM 672 CB ASP A 50 4.701 -3.192 -9.725 1.00 0.00 C ATOM 673 CG ASP A 50 3.867 -1.972 -10.086 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.664 -1.908 -9.743 1.00 0.00 O ATOM 675 OD2 ASP A 50 4.448 -0.990 -10.601 1.00 0.00 O ATOM 0 H ASP A 50 5.210 -5.062 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 50 3.551 -3.683 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.620 -2.854 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.990 -3.699 -10.646 1.00 0.00 H new ATOM 679 N LYS A 51 2.474 -6.017 -8.860 1.00 0.00 N ATOM 680 CA LYS A 51 1.598 -7.083 -9.357 1.00 0.00 C ATOM 681 C LYS A 51 0.509 -6.560 -10.299 1.00 0.00 C ATOM 682 O LYS A 51 0.445 -6.929 -11.469 1.00 0.00 O ATOM 683 CB LYS A 51 0.920 -7.827 -8.185 1.00 0.00 C ATOM 684 CG LYS A 51 1.632 -9.115 -7.758 1.00 0.00 C ATOM 685 CD LYS A 51 2.876 -8.821 -6.920 1.00 0.00 C ATOM 686 CE LYS A 51 3.618 -10.110 -6.530 1.00 0.00 C ATOM 687 NZ LYS A 51 4.152 -10.815 -7.712 1.00 0.00 N ATOM 0 H LYS A 51 2.744 -6.168 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 51 2.239 -7.764 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.864 -7.156 -7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.104 -8.069 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.945 -9.738 -7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.915 -9.685 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.547 -8.171 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.588 -8.280 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.436 -9.867 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.940 -10.770 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.574 -11.658 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.123 -10.182 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.135 -11.102 -7.530 1.00 0.00 H new ATOM 697 N ALA A 52 -0.395 -5.760 -9.732 1.00 0.00 N ATOM 698 CA ALA A 52 -1.605 -5.261 -10.368 1.00 0.00 C ATOM 699 C ALA A 52 -2.216 -4.265 -9.389 1.00 0.00 C ATOM 700 O ALA A 52 -3.264 -4.517 -8.796 1.00 0.00 O ATOM 701 CB ALA A 52 -2.569 -6.417 -10.665 1.00 0.00 C ATOM 0 H ALA A 52 -0.295 -5.430 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.392 -4.783 -11.324 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.469 -6.027 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.086 -7.131 -11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.838 -6.915 -9.733 1.00 0.00 H new ATOM 707 N VAL A 53 -1.486 -3.177 -9.143 1.00 0.00 N ATOM 708 CA VAL A 53 -1.795 -2.282 -8.039 1.00 0.00 C ATOM 709 C VAL A 53 -3.153 -1.615 -8.224 1.00 0.00 C ATOM 710 O VAL A 53 -3.631 -1.431 -9.343 1.00 0.00 O ATOM 711 CB VAL A 53 -0.672 -1.247 -7.842 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.599 -2.008 -7.442 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.459 -0.387 -9.093 1.00 0.00 C ATOM 0 H VAL A 53 -0.676 -2.898 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.856 -2.880 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.947 -0.546 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.415 -1.301 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.420 -2.554 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.866 -2.711 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.342 0.329 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.189 -1.027 -9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.379 0.149 -9.327 1.00 0.00 H new ATOM 723 N LEU A 54 -3.759 -1.218 -7.106 1.00 0.00 N ATOM 724 CA LEU A 54 -4.931 -0.368 -7.151 1.00 0.00 C ATOM 725 C LEU A 54 -4.564 1.010 -7.684 1.00 0.00 C ATOM 726 O LEU A 54 -3.402 1.399 -7.793 1.00 0.00 O ATOM 727 CB LEU A 54 -5.589 -0.260 -5.771 1.00 0.00 C ATOM 728 CG LEU A 54 -6.792 -1.203 -5.624 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.372 -2.662 -5.801 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.438 -1.022 -4.247 1.00 0.00 C ATOM 0 H LEU A 54 -3.454 -1.473 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.655 -0.821 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.853 -0.491 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.913 0.767 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.512 -0.951 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.244 -3.307 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.941 -2.799 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.631 -2.922 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.290 -1.695 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.708 -1.250 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.776 0.008 -4.136 1.00 0.00 H new ATOM 741 N LYS A 55 -5.633 1.737 -7.976 1.00 0.00 N ATOM 742 CA LYS A 55 -5.667 3.081 -8.506 1.00 0.00 C ATOM 743 C LYS A 55 -6.306 3.951 -7.431 1.00 0.00 C ATOM 744 O LYS A 55 -7.420 3.658 -6.997 1.00 0.00 O ATOM 745 CB LYS A 55 -6.420 3.073 -9.843 1.00 0.00 C ATOM 746 CG LYS A 55 -7.911 2.706 -9.759 1.00 0.00 C ATOM 747 CD LYS A 55 -8.495 2.543 -11.169 1.00 0.00 C ATOM 748 CE LYS A 55 -9.989 2.194 -11.091 1.00 0.00 C ATOM 749 NZ LYS A 55 -10.593 2.020 -12.429 1.00 0.00 N ATOM 0 H LYS A 55 -6.573 1.366 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.680 3.486 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.331 4.060 -10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.927 2.369 -10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.034 1.780 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.454 3.482 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.359 3.465 -11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.959 1.759 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.117 1.278 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.517 2.983 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.601 1.786 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.496 2.902 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.108 1.250 -12.931 1.00 0.00 H new ATOM 759 N ILE A 56 -5.568 4.936 -6.919 1.00 0.00 N ATOM 760 CA ILE A 56 -5.870 5.539 -5.638 1.00 0.00 C ATOM 761 C ILE A 56 -6.288 6.999 -5.822 1.00 0.00 C ATOM 762 O ILE A 56 -5.752 7.704 -6.674 1.00 0.00 O ATOM 763 CB ILE A 56 -4.672 5.318 -4.702 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.425 6.118 -5.106 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.334 3.820 -4.687 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.259 5.911 -4.137 1.00 0.00 C ATOM 0 H ILE A 56 -4.750 5.331 -7.384 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.729 5.066 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.961 5.674 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.117 5.823 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.675 7.178 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.485 3.645 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.195 3.256 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.082 3.494 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.402 6.498 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.555 6.232 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.988 4.855 -4.114 1.00 0.00 H new ATOM 777 N LYS A 57 -7.292 7.429 -5.053 1.00 0.00 N ATOM 778 CA LYS A 57 -7.862 8.767 -5.158 1.00 0.00 C ATOM 779 C LYS A 57 -6.780 9.810 -4.883 1.00 0.00 C ATOM 780 O LYS A 57 -5.939 9.594 -4.012 1.00 0.00 O ATOM 781 CB LYS A 57 -9.024 8.984 -4.174 1.00 0.00 C ATOM 782 CG LYS A 57 -9.966 7.778 -3.978 1.00 0.00 C ATOM 783 CD LYS A 57 -9.597 6.865 -2.788 1.00 0.00 C ATOM 784 CE LYS A 57 -10.096 7.409 -1.440 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.514 6.673 -0.294 1.00 0.00 N ATOM 0 H LYS A 57 -7.732 6.852 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.252 8.874 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.609 9.259 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.616 9.832 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.982 8.146 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.967 7.182 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.019 5.874 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.514 6.748 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.841 8.466 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.183 7.339 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.131 6.780 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.430 5.665 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.572 7.056 -0.078 1.00 0.00 H new ATOM 795 N ASP A 58 -6.832 10.958 -5.555 1.00 0.00 N ATOM 796 CA ASP A 58 -5.761 11.946 -5.445 1.00 0.00 C ATOM 797 C ASP A 58 -5.588 12.363 -3.991 1.00 0.00 C ATOM 798 O ASP A 58 -4.516 12.264 -3.406 1.00 0.00 O ATOM 799 CB ASP A 58 -6.023 13.181 -6.304 1.00 0.00 C ATOM 800 CG ASP A 58 -4.711 13.938 -6.458 1.00 0.00 C ATOM 801 OD1 ASP A 58 -4.291 14.628 -5.502 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.019 13.731 -7.477 1.00 0.00 O ATOM 0 H ASP A 58 -7.596 11.226 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.848 11.477 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.411 12.890 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.776 13.816 -5.838 1.00 0.00 H new ATOM 806 N ALA A 59 -6.704 12.752 -3.385 1.00 0.00 N ATOM 807 CA ALA A 59 -6.753 13.070 -1.970 1.00 0.00 C ATOM 808 C ALA A 59 -6.151 11.957 -1.103 1.00 0.00 C ATOM 809 O ALA A 59 -5.480 12.257 -0.120 1.00 0.00 O ATOM 810 CB ALA A 59 -8.195 13.374 -1.556 1.00 0.00 C ATOM 0 H ALA A 59 -7.598 12.855 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.140 13.956 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.226 13.612 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.567 14.224 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.821 12.503 -1.751 1.00 0.00 H new ATOM 816 N THR A 60 -6.362 10.681 -1.450 1.00 0.00 N ATOM 817 CA THR A 60 -5.797 9.586 -0.680 1.00 0.00 C ATOM 818 C THR A 60 -4.279 9.547 -0.891 1.00 0.00 C ATOM 819 O THR A 60 -3.539 9.378 0.071 1.00 0.00 O ATOM 820 CB THR A 60 -6.517 8.264 -1.020 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.023 7.619 0.133 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.681 7.251 -1.792 1.00 0.00 C ATOM 0 H THR A 60 -6.917 10.391 -2.255 1.00 0.00 H new ATOM 0 HA THR A 60 -5.959 9.740 0.387 1.00 0.00 H new ATOM 0 HB THR A 60 -7.328 8.590 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.744 6.680 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.276 6.358 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.367 7.686 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.801 6.984 -1.207 1.00 0.00 H new ATOM 830 N LYS A 61 -3.819 9.717 -2.136 1.00 0.00 N ATOM 831 CA LYS A 61 -2.404 9.824 -2.471 1.00 0.00 C ATOM 832 C LYS A 61 -1.776 10.876 -1.582 1.00 0.00 C ATOM 833 O LYS A 61 -0.875 10.594 -0.805 1.00 0.00 O ATOM 834 CB LYS A 61 -2.260 10.137 -3.975 1.00 0.00 C ATOM 835 CG LYS A 61 -1.199 11.145 -4.482 1.00 0.00 C ATOM 836 CD LYS A 61 -1.903 12.405 -5.012 1.00 0.00 C ATOM 837 CE LYS A 61 -1.004 13.427 -5.713 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.834 14.488 -6.326 1.00 0.00 N ATOM 0 H LYS A 61 -4.433 9.784 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.878 8.886 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.069 9.191 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.230 10.493 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.517 11.409 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.598 10.692 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.682 12.097 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.400 12.899 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.309 13.865 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.405 12.934 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.222 15.263 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.356 14.096 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.508 14.852 -5.622 1.00 0.00 H new ATOM 848 N SER A 62 -2.301 12.085 -1.698 1.00 0.00 N ATOM 849 CA SER A 62 -1.832 13.245 -0.954 1.00 0.00 C ATOM 850 C SER A 62 -1.748 12.929 0.544 1.00 0.00 C ATOM 851 O SER A 62 -0.707 13.130 1.167 1.00 0.00 O ATOM 852 CB SER A 62 -2.741 14.450 -1.241 1.00 0.00 C ATOM 853 OG SER A 62 -2.110 15.657 -0.862 1.00 0.00 O ATOM 0 H SER A 62 -3.080 12.293 -2.323 1.00 0.00 H new ATOM 0 HA SER A 62 -0.824 13.501 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.987 14.481 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.680 14.340 -0.699 1.00 0.00 H new ATOM 0 HG SER A 62 -2.705 16.412 -1.055 1.00 0.00 H new ATOM 858 N TYR A 63 -2.843 12.419 1.116 1.00 0.00 N ATOM 859 CA TYR A 63 -2.908 12.022 2.515 1.00 0.00 C ATOM 860 C TYR A 63 -1.787 11.043 2.856 1.00 0.00 C ATOM 861 O TYR A 63 -1.168 11.137 3.915 1.00 0.00 O ATOM 862 CB TYR A 63 -4.270 11.368 2.786 1.00 0.00 C ATOM 863 CG TYR A 63 -4.509 10.911 4.216 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.216 11.760 5.301 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.016 9.621 4.462 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.375 11.300 6.620 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.168 9.160 5.782 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.843 9.998 6.860 1.00 0.00 C ATOM 869 OH TYR A 63 -4.999 9.545 8.134 1.00 0.00 O ATOM 0 H TYR A 63 -3.716 12.271 0.610 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.787 12.907 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.053 12.076 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.377 10.507 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.869 12.766 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.289 8.983 3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.137 11.949 7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.535 8.161 5.966 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.333 8.624 8.115 1.00 0.00 H new ATOM 878 N CYS A 64 -1.574 10.074 1.968 1.00 0.00 N ATOM 879 CA CYS A 64 -0.725 8.916 2.203 1.00 0.00 C ATOM 880 C CYS A 64 0.589 8.963 1.418 1.00 0.00 C ATOM 881 O CYS A 64 1.156 7.903 1.177 1.00 0.00 O ATOM 882 CB CYS A 64 -1.534 7.642 1.921 1.00 0.00 C ATOM 883 SG CYS A 64 -2.848 7.361 3.133 1.00 0.00 S ATOM 0 H CYS A 64 -2.000 10.076 1.041 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.417 8.920 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.973 7.709 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.862 6.784 1.916 1.00 0.00 H new ATOM 887 N ASP A 65 1.110 10.144 1.070 1.00 0.00 N ATOM 888 CA ASP A 65 2.407 10.274 0.404 1.00 0.00 C ATOM 889 C ASP A 65 3.494 10.667 1.411 1.00 0.00 C ATOM 890 O ASP A 65 4.324 9.849 1.817 1.00 0.00 O ATOM 891 CB ASP A 65 2.296 11.294 -0.736 1.00 0.00 C ATOM 892 CG ASP A 65 3.667 11.602 -1.317 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.173 10.740 -2.066 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.189 12.685 -0.979 1.00 0.00 O ATOM 0 H ASP A 65 0.644 11.035 1.242 1.00 0.00 H new ATOM 0 HA ASP A 65 2.695 9.313 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.644 10.904 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.838 12.211 -0.367 1.00 0.00 H new ATOM 898 N VAL A 66 3.455 11.931 1.837 1.00 0.00 N ATOM 899 CA VAL A 66 4.491 12.602 2.618 1.00 0.00 C ATOM 900 C VAL A 66 4.818 11.861 3.922 1.00 0.00 C ATOM 901 O VAL A 66 5.935 11.965 4.422 1.00 0.00 O ATOM 902 CB VAL A 66 4.070 14.064 2.878 1.00 0.00 C ATOM 903 CG1 VAL A 66 5.117 14.826 3.704 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.868 14.825 1.557 1.00 0.00 C ATOM 0 H VAL A 66 2.663 12.541 1.637 1.00 0.00 H new ATOM 0 HA VAL A 66 5.414 12.596 2.038 1.00 0.00 H new ATOM 0 HB VAL A 66 3.134 14.014 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.780 15.850 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.249 14.334 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.066 14.836 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.572 15.852 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.800 14.826 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.089 14.337 0.971 1.00 0.00 H new ATOM 914 N GLN A 67 3.838 11.121 4.448 1.00 0.00 N ATOM 915 CA GLN A 67 3.844 10.330 5.664 1.00 0.00 C ATOM 916 C GLN A 67 5.236 9.807 6.024 1.00 0.00 C ATOM 917 O GLN A 67 5.812 10.206 7.034 1.00 0.00 O ATOM 918 CB GLN A 67 2.870 9.176 5.406 1.00 0.00 C ATOM 919 CG GLN A 67 1.405 9.637 5.399 1.00 0.00 C ATOM 920 CD GLN A 67 0.860 10.089 6.705 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.393 9.861 7.786 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.315 10.658 6.556 1.00 0.00 N ATOM 0 H GLN A 67 2.934 11.061 3.979 1.00 0.00 H new ATOM 0 HA GLN A 67 3.545 10.938 6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.107 8.712 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.004 8.413 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.305 10.453 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.788 8.816 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.691 10.814 5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.851 10.944 7.376 1.00 0.00 H new ATOM 929 N ILE A 68 5.757 8.902 5.198 1.00 0.00 N ATOM 930 CA ILE A 68 7.083 8.335 5.346 1.00 0.00 C ATOM 931 C ILE A 68 8.075 9.160 4.519 1.00 0.00 C ATOM 932 O ILE A 68 9.182 9.427 4.977 1.00 0.00 O ATOM 933 CB ILE A 68 7.010 6.840 4.989 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.277 6.133 6.146 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.400 6.253 4.752 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.069 4.624 5.969 1.00 0.00 C ATOM 0 H ILE A 68 5.252 8.538 4.390 1.00 0.00 H new ATOM 0 HA ILE A 68 7.452 8.384 6.370 1.00 0.00 H new ATOM 0 HB ILE A 68 6.466 6.695 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.839 6.300 7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.303 6.604 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.311 5.196 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.882 6.781 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.000 6.363 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.545 4.225 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.477 4.441 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.037 4.132 5.872 1.00 0.00 H new ATOM 947 N ILE A 69 7.685 9.594 3.317 1.00 0.00 N ATOM 948 CA ILE A 69 8.483 10.535 2.538 1.00 0.00 C ATOM 949 C ILE A 69 8.559 11.862 3.298 1.00 0.00 C ATOM 950 O ILE A 69 9.586 12.540 3.273 1.00 0.00 O ATOM 951 CB ILE A 69 7.883 10.680 1.126 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.092 9.360 0.362 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.522 11.845 0.355 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.297 9.291 -0.946 1.00 0.00 C ATOM 0 H ILE A 69 6.818 9.305 2.864 1.00 0.00 H new ATOM 0 HA ILE A 69 9.502 10.172 2.407 1.00 0.00 H new ATOM 0 HB ILE A 69 6.819 10.898 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.153 9.238 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.801 8.527 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.073 11.915 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.353 12.776 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.594 11.672 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.487 8.337 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.233 9.382 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.605 10.105 -1.602 1.00 0.00 H new TER 965 ILE A 69