USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=22 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 5 TYR OH : rot 101:sc= 1.06 USER MOD Set 1.2: A 41 SER OG : rot 157:sc= 1.7 USER MOD Set 1.3: A 57 LYS NZ :NH3+ -145:sc= 1.15 (180deg=-0.514) USER MOD Set 1.4: A 60 THR OG1 : rot -1:sc= 0.949 USER MOD Set 2.1: A 14 SER OG : rot -164:sc= 1.12 USER MOD Set 2.2: A 21 TYR OH : rot 30:sc= 0.945 USER MOD Set 3.1: A 3 ASN : amide:sc= 0.954 K(o=2.2,f=-2.9) USER MOD Set 3.2: A 43 TYR OH : rot -28:sc= 1.22 USER MOD Single : A 1 LYS N :NH3+ 176:sc= -0.877 (180deg=-0.961) USER MOD Single : A 1 LYS NZ :NH3+ 179:sc= 0.96 (180deg=0.937) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0.0568 (180deg=0.0568) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.2) USER MOD Single : A 19 ASN : amide:sc= 0.672 K(o=0.67,f=-5.3!) USER MOD Single : A 20 ASN : amide:sc= 0.578 K(o=0.58,f=-3.4!) USER MOD Single : A 23 ASN : amide:sc= 0.975 K(o=0.97,f=-0.0086) USER MOD Single : A 24 ASN : amide:sc= -0.0912 X(o=-0.091,f=-0.0074) USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.31 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 174:sc= 1.2 USER MOD Single : A 31 TYR OH : rot 104:sc= 1.13 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 68:sc= 0.886 USER MOD Single : A 36 TYR OH : rot -1:sc= 0.915 USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 2.53 (180deg=2.48) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 1.15 (180deg=1.03) 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= 1.08 K(o=1.1,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 7.499 -0.609 -10.680 1.00 0.00 N ATOM 2 CA LYS A 1 7.873 -0.843 -9.291 1.00 0.00 C ATOM 3 C LYS A 1 8.012 0.514 -8.587 1.00 0.00 C ATOM 4 O LYS A 1 8.984 1.241 -8.787 1.00 0.00 O ATOM 5 CB LYS A 1 9.148 -1.704 -9.157 1.00 0.00 C ATOM 6 CG LYS A 1 9.766 -2.223 -10.469 1.00 0.00 C ATOM 7 CD LYS A 1 8.986 -3.387 -11.106 1.00 0.00 C ATOM 8 CE LYS A 1 9.350 -4.740 -10.472 1.00 0.00 C ATOM 9 NZ LYS A 1 8.600 -5.860 -11.080 1.00 0.00 N ATOM 0 H1 LYS A 1 7.467 -1.516 -11.188 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.562 -0.158 -10.716 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.201 0.014 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 1 7.088 -1.423 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.903 -1.118 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.916 -2.562 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.822 -1.401 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 1 10.789 -2.546 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.916 -3.211 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 1 9.194 -3.420 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.420 -4.917 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.144 -4.705 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.889 -6.754 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.581 -5.714 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.802 -5.900 -12.099 1.00 0.00 H new ATOM 19 N LYS A 2 6.997 0.883 -7.811 1.00 0.00 N ATOM 20 CA LYS A 2 6.705 2.242 -7.406 1.00 0.00 C ATOM 21 C LYS A 2 5.606 2.151 -6.375 1.00 0.00 C ATOM 22 O LYS A 2 4.725 1.315 -6.541 1.00 0.00 O ATOM 23 CB LYS A 2 6.126 2.995 -8.603 1.00 0.00 C ATOM 24 CG LYS A 2 4.988 2.183 -9.257 1.00 0.00 C ATOM 25 CD LYS A 2 3.545 2.656 -8.984 1.00 0.00 C ATOM 26 CE LYS A 2 2.805 2.883 -10.311 1.00 0.00 C ATOM 27 NZ LYS A 2 2.848 1.693 -11.196 1.00 0.00 N ATOM 0 H LYS A 2 6.331 0.209 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 2 7.598 2.741 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.749 3.966 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.911 3.185 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.147 2.185 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.075 1.149 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.017 1.913 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.560 3.579 -8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.766 3.141 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.248 3.734 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.335 1.897 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.837 1.460 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.402 0.886 -10.715 1.00 0.00 H new ATOM 37 N ASN A 3 5.627 2.999 -5.349 1.00 0.00 N ATOM 38 CA ASN A 3 4.580 3.022 -4.345 1.00 0.00 C ATOM 39 C ASN A 3 3.185 2.996 -4.953 1.00 0.00 C ATOM 40 O ASN A 3 2.919 3.582 -5.999 1.00 0.00 O ATOM 41 CB ASN A 3 4.770 4.247 -3.446 1.00 0.00 C ATOM 42 CG ASN A 3 4.593 5.578 -4.160 1.00 0.00 C ATOM 43 OD1 ASN A 3 3.502 5.951 -4.585 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.666 6.348 -4.245 1.00 0.00 N ATOM 0 H ASN A 3 6.368 3.683 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 3 4.664 2.114 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.059 4.192 -2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.768 4.212 -3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.598 7.273 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.561 6.017 -3.885 1.00 0.00 H new ATOM 50 N GLY A 4 2.307 2.251 -4.297 1.00 0.00 N ATOM 51 CA GLY A 4 1.037 1.855 -4.868 1.00 0.00 C ATOM 52 C GLY A 4 0.252 1.104 -3.810 1.00 0.00 C ATOM 53 O GLY A 4 0.804 0.753 -2.761 1.00 0.00 O ATOM 0 H GLY A 4 2.460 1.905 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.481 2.731 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.194 1.224 -5.743 1.00 0.00 H new ATOM 57 N TYR A 5 -1.036 0.879 -4.080 1.00 0.00 N ATOM 58 CA TYR A 5 -1.861 0.072 -3.202 1.00 0.00 C ATOM 59 C TYR A 5 -1.620 -1.401 -3.503 1.00 0.00 C ATOM 60 O TYR A 5 -1.933 -1.852 -4.601 1.00 0.00 O ATOM 61 CB TYR A 5 -3.346 0.406 -3.357 1.00 0.00 C ATOM 62 CG TYR A 5 -4.044 1.439 -2.490 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.426 2.144 -1.435 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.340 1.801 -2.893 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.065 3.273 -0.881 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.930 2.972 -2.404 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.288 3.716 -1.407 1.00 0.00 C ATOM 68 OH TYR A 5 -5.933 4.795 -0.875 1.00 0.00 O ATOM 0 H TYR A 5 -1.521 1.246 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.584 0.292 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.489 0.719 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.891 -0.529 -3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.469 1.821 -1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.884 1.173 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.613 3.797 -0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.881 3.302 -2.796 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.768 5.583 -1.434 1.00 0.00 H new ATOM 77 N ALA A 6 -1.093 -2.151 -2.535 1.00 0.00 N ATOM 78 CA ALA A 6 -0.918 -3.585 -2.676 1.00 0.00 C ATOM 79 C ALA A 6 -2.261 -4.296 -2.545 1.00 0.00 C ATOM 80 O ALA A 6 -3.092 -3.916 -1.720 1.00 0.00 O ATOM 81 CB ALA A 6 0.046 -4.098 -1.609 1.00 0.00 C ATOM 0 H ALA A 6 -0.779 -1.779 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.504 -3.793 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.173 -5.175 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.011 -3.605 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.357 -3.881 -0.620 1.00 0.00 H new ATOM 87 N VAL A 7 -2.450 -5.344 -3.346 1.00 0.00 N ATOM 88 CA VAL A 7 -3.596 -6.233 -3.299 1.00 0.00 C ATOM 89 C VAL A 7 -3.116 -7.636 -3.657 1.00 0.00 C ATOM 90 O VAL A 7 -1.985 -7.810 -4.108 1.00 0.00 O ATOM 91 CB VAL A 7 -4.684 -5.762 -4.284 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.303 -4.441 -3.821 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.130 -5.625 -5.711 1.00 0.00 C ATOM 0 H VAL A 7 -1.780 -5.601 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.035 -6.231 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.464 -6.524 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.068 -4.129 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.754 -4.575 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.528 -3.677 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.924 -5.291 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.319 -4.896 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.753 -6.590 -6.049 1.00 0.00 H new ATOM 103 N ASP A 8 -4.002 -8.613 -3.461 1.00 0.00 N ATOM 104 CA ASP A 8 -3.909 -9.990 -3.929 1.00 0.00 C ATOM 105 C ASP A 8 -3.241 -10.095 -5.305 1.00 0.00 C ATOM 106 O ASP A 8 -2.105 -10.541 -5.451 1.00 0.00 O ATOM 107 CB ASP A 8 -5.364 -10.493 -3.980 1.00 0.00 C ATOM 108 CG ASP A 8 -5.570 -11.863 -4.594 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.437 -12.857 -3.849 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.026 -11.879 -5.753 1.00 0.00 O ATOM 0 H ASP A 8 -4.860 -8.449 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.285 -10.589 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.758 -10.509 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.958 -9.772 -4.541 1.00 0.00 H new ATOM 114 N SER A 9 -4.034 -9.712 -6.296 1.00 0.00 N ATOM 115 CA SER A 9 -3.942 -9.923 -7.728 1.00 0.00 C ATOM 116 C SER A 9 -5.303 -9.491 -8.280 1.00 0.00 C ATOM 117 O SER A 9 -5.393 -8.693 -9.208 1.00 0.00 O ATOM 118 CB SER A 9 -3.694 -11.407 -8.025 1.00 0.00 C ATOM 119 OG SER A 9 -3.204 -11.585 -9.340 1.00 0.00 O ATOM 0 H SER A 9 -4.871 -9.172 -6.079 1.00 0.00 H new ATOM 0 HA SER A 9 -3.122 -9.363 -8.177 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.978 -11.810 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.621 -11.967 -7.899 1.00 0.00 H new ATOM 0 HG SER A 9 -3.052 -12.539 -9.506 1.00 0.00 H new ATOM 124 N SER A 10 -6.372 -9.988 -7.643 1.00 0.00 N ATOM 125 CA SER A 10 -7.747 -9.638 -7.962 1.00 0.00 C ATOM 126 C SER A 10 -8.045 -8.219 -7.468 1.00 0.00 C ATOM 127 O SER A 10 -8.623 -7.412 -8.190 1.00 0.00 O ATOM 128 CB SER A 10 -8.670 -10.687 -7.328 1.00 0.00 C ATOM 129 OG SER A 10 -10.030 -10.423 -7.607 1.00 0.00 O ATOM 0 H SER A 10 -6.295 -10.657 -6.877 1.00 0.00 H new ATOM 0 HA SER A 10 -7.915 -9.640 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.407 -11.677 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.516 -10.703 -6.249 1.00 0.00 H new ATOM 0 HG SER A 10 -10.589 -11.111 -7.190 1.00 0.00 H new ATOM 134 N GLY A 11 -7.625 -7.921 -6.234 1.00 0.00 N ATOM 135 CA GLY A 11 -7.675 -6.608 -5.631 1.00 0.00 C ATOM 136 C GLY A 11 -8.178 -6.618 -4.185 1.00 0.00 C ATOM 137 O GLY A 11 -8.922 -5.729 -3.774 1.00 0.00 O ATOM 0 H GLY A 11 -7.227 -8.625 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.679 -6.167 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.324 -5.967 -6.228 1.00 0.00 H new ATOM 141 N LYS A 12 -7.784 -7.626 -3.400 1.00 0.00 N ATOM 142 CA LYS A 12 -8.234 -7.784 -2.024 1.00 0.00 C ATOM 143 C LYS A 12 -7.494 -6.772 -1.141 1.00 0.00 C ATOM 144 O LYS A 12 -6.528 -7.123 -0.468 1.00 0.00 O ATOM 145 CB LYS A 12 -8.006 -9.234 -1.557 1.00 0.00 C ATOM 146 CG LYS A 12 -8.665 -10.278 -2.478 1.00 0.00 C ATOM 147 CD LYS A 12 -8.263 -11.704 -2.068 1.00 0.00 C ATOM 148 CE LYS A 12 -8.605 -12.725 -3.169 1.00 0.00 C ATOM 149 NZ LYS A 12 -7.729 -13.915 -3.116 1.00 0.00 N ATOM 0 H LYS A 12 -7.141 -8.356 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.303 -7.587 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.935 -9.428 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.399 -9.350 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.749 -10.175 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.369 -10.095 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.194 -11.736 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.776 -11.977 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.645 -13.036 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.511 -12.250 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.889 -14.502 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.734 -13.613 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.947 -14.468 -2.263 1.00 0.00 H new ATOM 159 N VAL A 13 -7.924 -5.510 -1.176 1.00 0.00 N ATOM 160 CA VAL A 13 -7.388 -4.471 -0.303 1.00 0.00 C ATOM 161 C VAL A 13 -7.561 -4.851 1.171 1.00 0.00 C ATOM 162 O VAL A 13 -8.601 -5.378 1.560 1.00 0.00 O ATOM 163 CB VAL A 13 -8.045 -3.105 -0.590 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.624 -2.569 -1.960 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.578 -3.126 -0.501 1.00 0.00 C ATOM 0 H VAL A 13 -8.653 -5.182 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.322 -4.383 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.686 -2.442 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.102 -1.605 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.541 -2.447 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.929 -3.272 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.969 -2.131 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.975 -3.835 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.880 -3.426 0.502 1.00 0.00 H new ATOM 175 N SER A 14 -6.554 -4.535 1.991 1.00 0.00 N ATOM 176 CA SER A 14 -6.658 -4.566 3.440 1.00 0.00 C ATOM 177 C SER A 14 -6.865 -3.138 3.940 1.00 0.00 C ATOM 178 O SER A 14 -6.177 -2.228 3.475 1.00 0.00 O ATOM 179 CB SER A 14 -5.379 -5.142 4.057 1.00 0.00 C ATOM 180 OG SER A 14 -5.119 -6.435 3.544 1.00 0.00 O ATOM 0 H SER A 14 -5.635 -4.248 1.655 1.00 0.00 H new ATOM 0 HA SER A 14 -7.497 -5.198 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.537 -4.484 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.480 -5.188 5.141 1.00 0.00 H new ATOM 0 HG SER A 14 -4.467 -6.889 4.117 1.00 0.00 H new ATOM 185 N GLU A 15 -7.785 -2.961 4.892 1.00 0.00 N ATOM 186 CA GLU A 15 -7.877 -1.789 5.737 1.00 0.00 C ATOM 187 C GLU A 15 -6.777 -1.918 6.809 1.00 0.00 C ATOM 188 O GLU A 15 -5.633 -2.177 6.449 1.00 0.00 O ATOM 189 CB GLU A 15 -9.308 -1.768 6.292 1.00 0.00 C ATOM 190 CG GLU A 15 -9.661 -0.426 6.937 1.00 0.00 C ATOM 191 CD GLU A 15 -10.270 -0.613 8.318 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.540 -1.197 9.149 1.00 0.00 O ATOM 193 OE2 GLU A 15 -11.434 -0.205 8.504 1.00 0.00 O ATOM 0 H GLU A 15 -8.504 -3.656 5.094 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.710 -0.841 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.011 -1.977 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.421 -2.564 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.764 0.189 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.362 0.112 6.299 1.00 0.00 H new ATOM 198 N CYS A 16 -7.130 -1.818 8.095 1.00 0.00 N ATOM 199 CA CYS A 16 -6.322 -1.968 9.308 1.00 0.00 C ATOM 200 C CYS A 16 -5.952 -0.626 9.940 1.00 0.00 C ATOM 201 O CYS A 16 -5.946 0.408 9.282 1.00 0.00 O ATOM 202 CB CYS A 16 -5.093 -2.893 9.194 1.00 0.00 C ATOM 203 SG CYS A 16 -3.463 -2.101 9.355 1.00 0.00 S ATOM 0 H CYS A 16 -8.098 -1.606 8.337 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.996 -2.494 9.984 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.175 -3.664 9.960 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.134 -3.397 8.228 1.00 0.00 H new ATOM 207 N LEU A 17 -5.612 -0.663 11.234 1.00 0.00 N ATOM 208 CA LEU A 17 -5.017 0.438 11.969 1.00 0.00 C ATOM 209 C LEU A 17 -3.518 0.190 12.199 1.00 0.00 C ATOM 210 O LEU A 17 -2.707 1.106 12.061 1.00 0.00 O ATOM 211 CB LEU A 17 -5.778 0.666 13.285 1.00 0.00 C ATOM 212 CG LEU A 17 -6.171 -0.598 14.074 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.134 -0.307 15.580 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.581 -1.087 13.710 1.00 0.00 C ATOM 0 H LEU A 17 -5.752 -1.493 11.810 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.100 1.350 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.165 1.295 13.930 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.686 1.227 13.063 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.453 -1.375 13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.413 -1.205 16.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.127 -0.003 15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.835 0.494 15.813 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.817 -1.980 14.289 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.307 -0.306 13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.621 -1.323 12.647 1.00 0.00 H new ATOM 225 N LEU A 18 -3.119 -1.036 12.563 1.00 0.00 N ATOM 226 CA LEU A 18 -1.741 -1.351 12.900 1.00 0.00 C ATOM 227 C LEU A 18 -0.876 -1.459 11.637 1.00 0.00 C ATOM 228 O LEU A 18 -0.508 -2.552 11.215 1.00 0.00 O ATOM 229 CB LEU A 18 -1.694 -2.607 13.781 1.00 0.00 C ATOM 230 CG LEU A 18 -2.464 -3.805 13.190 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.550 -5.023 13.113 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.680 -4.166 14.051 1.00 0.00 C ATOM 0 H LEU A 18 -3.751 -1.834 12.630 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.312 -0.536 13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.654 -2.894 13.934 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.107 -2.369 14.761 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.804 -3.519 12.195 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.101 -5.865 12.695 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.695 -4.796 12.476 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.200 -5.279 14.113 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.201 -5.014 13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.349 -4.429 15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.355 -3.312 14.103 1.00 0.00 H new ATOM 243 N ASN A 19 -0.532 -0.304 11.060 1.00 0.00 N ATOM 244 CA ASN A 19 0.341 -0.103 9.906 1.00 0.00 C ATOM 245 C ASN A 19 1.481 -1.116 9.796 1.00 0.00 C ATOM 246 O ASN A 19 1.812 -1.555 8.697 1.00 0.00 O ATOM 247 CB ASN A 19 0.922 1.314 9.994 1.00 0.00 C ATOM 248 CG ASN A 19 -0.082 2.401 9.647 1.00 0.00 C ATOM 249 OD1 ASN A 19 -1.123 2.138 9.058 1.00 0.00 O ATOM 250 ND2 ASN A 19 0.250 3.647 9.963 1.00 0.00 N ATOM 0 H ASN A 19 -0.886 0.583 11.418 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.266 -0.246 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.295 1.484 11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.776 1.391 9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.369 4.418 9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.125 3.833 10.454 1.00 0.00 H new ATOM 256 N ASN A 20 2.082 -1.483 10.932 1.00 0.00 N ATOM 257 CA ASN A 20 3.087 -2.536 11.065 1.00 0.00 C ATOM 258 C ASN A 20 2.769 -3.752 10.188 1.00 0.00 C ATOM 259 O ASN A 20 3.634 -4.214 9.445 1.00 0.00 O ATOM 260 CB ASN A 20 3.190 -2.973 12.535 1.00 0.00 C ATOM 261 CG ASN A 20 3.430 -1.793 13.473 1.00 0.00 C ATOM 262 OD1 ASN A 20 2.556 -0.942 13.618 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.598 -1.718 14.101 1.00 0.00 N ATOM 0 H ASN A 20 1.870 -1.033 11.822 1.00 0.00 H new ATOM 0 HA ASN A 20 4.039 -2.125 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.272 -3.484 12.825 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.003 -3.691 12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.791 -0.936 14.727 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.302 -2.442 13.958 1.00 0.00 H new ATOM 269 N TYR A 21 1.532 -4.258 10.266 1.00 0.00 N ATOM 270 CA TYR A 21 1.054 -5.363 9.439 1.00 0.00 C ATOM 271 C TYR A 21 1.309 -5.056 7.966 1.00 0.00 C ATOM 272 O TYR A 21 1.919 -5.853 7.253 1.00 0.00 O ATOM 273 CB TYR A 21 -0.445 -5.609 9.710 1.00 0.00 C ATOM 274 CG TYR A 21 -1.241 -6.184 8.551 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.212 -7.562 8.272 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.966 -5.318 7.709 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.906 -8.071 7.159 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.617 -5.820 6.572 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.591 -7.196 6.298 1.00 0.00 C ATOM 280 OH TYR A 21 -3.226 -7.671 5.187 1.00 0.00 O ATOM 0 H TYR A 21 0.829 -3.904 10.915 1.00 0.00 H new ATOM 0 HA TYR A 21 1.598 -6.273 9.694 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.535 -6.286 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.901 -4.664 10.006 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.656 -8.230 8.913 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.021 -4.264 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.912 -9.134 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.138 -5.147 5.907 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.530 -8.588 5.351 1.00 0.00 H new ATOM 289 N CYS A 22 0.830 -3.892 7.520 1.00 0.00 N ATOM 290 CA CYS A 22 0.927 -3.489 6.131 1.00 0.00 C ATOM 291 C CYS A 22 2.383 -3.483 5.721 1.00 0.00 C ATOM 292 O CYS A 22 2.744 -4.136 4.758 1.00 0.00 O ATOM 293 CB CYS A 22 0.361 -2.087 5.921 1.00 0.00 C ATOM 294 SG CYS A 22 -0.102 -1.761 4.213 1.00 0.00 S ATOM 0 H CYS A 22 0.366 -3.209 8.118 1.00 0.00 H new ATOM 0 HA CYS A 22 0.353 -4.194 5.530 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.513 -1.955 6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.101 -1.352 6.237 1.00 0.00 H new ATOM 298 N ASN A 23 3.217 -2.767 6.479 1.00 0.00 N ATOM 299 CA ASN A 23 4.649 -2.657 6.276 1.00 0.00 C ATOM 300 C ASN A 23 5.282 -4.038 6.114 1.00 0.00 C ATOM 301 O ASN A 23 5.966 -4.305 5.131 1.00 0.00 O ATOM 302 CB ASN A 23 5.221 -1.938 7.507 1.00 0.00 C ATOM 303 CG ASN A 23 6.358 -1.006 7.154 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.522 -1.386 7.168 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.022 0.249 6.877 1.00 0.00 N ATOM 0 H ASN A 23 2.892 -2.229 7.282 1.00 0.00 H new ATOM 0 HA ASN A 23 4.868 -2.099 5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.428 -1.371 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.572 -2.678 8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.746 0.936 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.040 0.526 6.876 1.00 0.00 H new ATOM 311 N ASN A 24 5.043 -4.935 7.074 1.00 0.00 N ATOM 312 CA ASN A 24 5.595 -6.264 7.059 1.00 0.00 C ATOM 313 C ASN A 24 5.248 -7.014 5.778 1.00 0.00 C ATOM 314 O ASN A 24 6.132 -7.505 5.085 1.00 0.00 O ATOM 315 CB ASN A 24 5.081 -6.999 8.295 1.00 0.00 C ATOM 316 CG ASN A 24 6.046 -8.103 8.645 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.754 -9.288 8.533 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.229 -7.681 9.072 1.00 0.00 N ATOM 0 H ASN A 24 4.454 -4.744 7.884 1.00 0.00 H new ATOM 0 HA ASN A 24 6.683 -6.207 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.982 -6.306 9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.090 -7.411 8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.950 -8.356 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.418 -6.681 9.146 1.00 0.00 H new ATOM 324 N ILE A 25 3.961 -7.095 5.446 1.00 0.00 N ATOM 325 CA ILE A 25 3.488 -7.766 4.243 1.00 0.00 C ATOM 326 C ILE A 25 4.119 -7.128 3.004 1.00 0.00 C ATOM 327 O ILE A 25 4.565 -7.814 2.086 1.00 0.00 O ATOM 328 CB ILE A 25 1.954 -7.638 4.229 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.330 -8.391 5.411 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.336 -8.068 2.896 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.251 -9.911 5.233 1.00 0.00 C ATOM 0 H ILE A 25 3.213 -6.693 6.011 1.00 0.00 H new ATOM 0 HA ILE A 25 3.772 -8.818 4.235 1.00 0.00 H new ATOM 0 HB ILE A 25 1.723 -6.579 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.909 -8.174 6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.324 -8.006 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.253 -7.957 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.730 -7.443 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.585 -9.111 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.797 -10.358 6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.646 -10.144 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.255 -10.314 5.098 1.00 0.00 H new ATOM 342 N CYS A 26 4.137 -5.801 3.003 1.00 0.00 N ATOM 343 CA CYS A 26 4.648 -4.933 1.953 1.00 0.00 C ATOM 344 C CYS A 26 6.079 -5.314 1.604 1.00 0.00 C ATOM 345 O CYS A 26 6.402 -5.487 0.427 1.00 0.00 O ATOM 346 CB CYS A 26 4.508 -3.458 2.371 1.00 0.00 C ATOM 347 SG CYS A 26 2.919 -2.730 1.960 1.00 0.00 S ATOM 0 H CYS A 26 3.769 -5.268 3.791 1.00 0.00 H new ATOM 0 HA CYS A 26 4.057 -5.065 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.665 -3.380 3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.297 -2.879 1.891 1.00 0.00 H new ATOM 351 N THR A 27 6.942 -5.477 2.607 1.00 0.00 N ATOM 352 CA THR A 27 8.277 -5.969 2.319 1.00 0.00 C ATOM 353 C THR A 27 8.211 -7.433 1.864 1.00 0.00 C ATOM 354 O THR A 27 8.745 -7.789 0.816 1.00 0.00 O ATOM 355 CB THR A 27 9.243 -5.736 3.493 1.00 0.00 C ATOM 356 OG1 THR A 27 9.015 -6.619 4.574 1.00 0.00 O ATOM 357 CG2 THR A 27 9.173 -4.318 4.072 1.00 0.00 C ATOM 0 H THR A 27 6.746 -5.282 3.589 1.00 0.00 H new ATOM 0 HA THR A 27 8.693 -5.393 1.492 1.00 0.00 H new ATOM 0 HB THR A 27 10.223 -5.911 3.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.055 -6.799 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.881 -4.226 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.424 -3.595 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.164 -4.123 4.437 1.00 0.00 H new ATOM 365 N LYS A 28 7.560 -8.288 2.659 1.00 0.00 N ATOM 366 CA LYS A 28 7.646 -9.733 2.578 1.00 0.00 C ATOM 367 C LYS A 28 7.285 -10.242 1.183 1.00 0.00 C ATOM 368 O LYS A 28 8.013 -11.048 0.608 1.00 0.00 O ATOM 369 CB LYS A 28 6.741 -10.327 3.675 1.00 0.00 C ATOM 370 CG LYS A 28 7.036 -11.795 4.005 1.00 0.00 C ATOM 371 CD LYS A 28 6.261 -12.733 3.078 1.00 0.00 C ATOM 372 CE LYS A 28 6.573 -14.201 3.404 1.00 0.00 C ATOM 373 NZ LYS A 28 5.899 -15.129 2.472 1.00 0.00 N ATOM 0 H LYS A 28 6.937 -7.971 3.402 1.00 0.00 H new ATOM 0 HA LYS A 28 8.673 -10.057 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.851 -9.733 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.701 -10.239 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.105 -11.985 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.768 -11.999 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.191 -12.552 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.521 -12.523 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.650 -14.361 3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.260 -14.421 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.136 -16.109 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.869 -14.994 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.217 -14.937 1.501 1.00 0.00 H new ATOM 383 N VAL A 29 6.118 -9.844 0.677 1.00 0.00 N ATOM 384 CA VAL A 29 5.528 -10.375 -0.519 1.00 0.00 C ATOM 385 C VAL A 29 6.002 -9.569 -1.729 1.00 0.00 C ATOM 386 O VAL A 29 6.325 -10.151 -2.764 1.00 0.00 O ATOM 387 CB VAL A 29 4.009 -10.319 -0.298 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.261 -10.504 -1.603 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.560 -11.372 0.721 1.00 0.00 C ATOM 0 H VAL A 29 5.550 -9.118 1.114 1.00 0.00 H new ATOM 0 HA VAL A 29 5.823 -11.404 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 29 3.773 -9.332 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.188 -10.460 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.541 -9.713 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.515 -11.473 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.480 -11.309 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.823 -12.365 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.057 -11.191 1.674 1.00 0.00 H new ATOM 399 N TYR A 30 5.987 -8.236 -1.618 1.00 0.00 N ATOM 400 CA TYR A 30 6.107 -7.334 -2.738 1.00 0.00 C ATOM 401 C TYR A 30 7.492 -6.695 -2.858 1.00 0.00 C ATOM 402 O TYR A 30 7.799 -6.159 -3.922 1.00 0.00 O ATOM 403 CB TYR A 30 5.066 -6.236 -2.562 1.00 0.00 C ATOM 404 CG TYR A 30 3.625 -6.672 -2.412 1.00 0.00 C ATOM 405 CD1 TYR A 30 3.122 -6.993 -1.139 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.760 -6.667 -3.520 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.808 -7.467 -1.004 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.428 -7.088 -3.371 1.00 0.00 C ATOM 409 CZ TYR A 30 0.976 -7.561 -2.128 1.00 0.00 C ATOM 410 OH TYR A 30 -0.286 -8.049 -1.992 1.00 0.00 O ATOM 0 H TYR A 30 5.888 -7.757 -0.723 1.00 0.00 H new ATOM 0 HA TYR A 30 5.951 -7.910 -3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.336 -5.651 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.130 -5.568 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.746 -6.875 -0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.119 -6.340 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.437 -7.760 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.752 -7.048 -4.212 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.765 -7.959 -2.842 1.00 0.00 H new ATOM 419 N TYR A 31 8.294 -6.705 -1.787 1.00 0.00 N ATOM 420 CA TYR A 31 9.646 -6.144 -1.730 1.00 0.00 C ATOM 421 C TYR A 31 9.688 -4.619 -1.588 1.00 0.00 C ATOM 422 O TYR A 31 10.727 -4.007 -1.824 1.00 0.00 O ATOM 423 CB TYR A 31 10.571 -6.716 -2.794 1.00 0.00 C ATOM 424 CG TYR A 31 10.386 -8.202 -3.040 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.585 -9.104 -1.977 1.00 0.00 C ATOM 426 CD2 TYR A 31 9.726 -8.634 -4.206 1.00 0.00 C ATOM 427 CE1 TYR A 31 10.022 -10.389 -2.031 1.00 0.00 C ATOM 428 CE2 TYR A 31 9.131 -9.905 -4.239 1.00 0.00 C ATOM 429 CZ TYR A 31 9.242 -10.764 -3.135 1.00 0.00 C ATOM 430 OH TYR A 31 8.411 -11.837 -3.037 1.00 0.00 O ATOM 0 H TYR A 31 8.006 -7.121 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 31 10.067 -6.490 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.407 -6.180 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.604 -6.533 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.171 -8.807 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.678 -7.990 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.189 -11.087 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.587 -10.222 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 31 7.487 -11.527 -2.934 1.00 0.00 H new ATOM 439 N ALA A 32 8.592 -4.005 -1.126 1.00 0.00 N ATOM 440 CA ALA A 32 8.609 -2.650 -0.611 1.00 0.00 C ATOM 441 C ALA A 32 9.624 -2.446 0.515 1.00 0.00 C ATOM 442 O ALA A 32 10.110 -3.402 1.115 1.00 0.00 O ATOM 443 CB ALA A 32 7.204 -2.337 -0.102 1.00 0.00 C ATOM 0 H ALA A 32 7.671 -4.443 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 32 8.911 -1.979 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.178 -1.322 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.492 -2.424 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.937 -3.041 0.686 1.00 0.00 H new ATOM 449 N THR A 33 9.897 -1.175 0.824 1.00 0.00 N ATOM 450 CA THR A 33 10.678 -0.747 1.973 1.00 0.00 C ATOM 451 C THR A 33 9.760 -0.305 3.126 1.00 0.00 C ATOM 452 O THR A 33 10.147 -0.371 4.288 1.00 0.00 O ATOM 453 CB THR A 33 11.706 0.316 1.537 1.00 0.00 C ATOM 454 OG1 THR A 33 12.681 0.497 2.540 1.00 0.00 O ATOM 455 CG2 THR A 33 11.092 1.681 1.209 1.00 0.00 C ATOM 0 H THR A 33 9.566 -0.394 0.257 1.00 0.00 H new ATOM 0 HA THR A 33 11.251 -1.585 2.370 1.00 0.00 H new ATOM 0 HB THR A 33 12.149 -0.072 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.328 1.173 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.880 2.372 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.377 1.572 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.581 2.071 2.089 1.00 0.00 H new ATOM 463 N SER A 34 8.529 0.134 2.825 1.00 0.00 N ATOM 464 CA SER A 34 7.542 0.509 3.835 1.00 0.00 C ATOM 465 C SER A 34 6.133 0.415 3.236 1.00 0.00 C ATOM 466 O SER A 34 5.985 -0.110 2.134 1.00 0.00 O ATOM 467 CB SER A 34 7.886 1.899 4.394 1.00 0.00 C ATOM 468 OG SER A 34 8.053 2.828 3.346 1.00 0.00 O ATOM 0 H SER A 34 8.193 0.238 1.867 1.00 0.00 H new ATOM 0 HA SER A 34 7.565 -0.180 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.093 2.235 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.799 1.843 4.986 1.00 0.00 H new ATOM 0 HG SER A 34 7.191 2.985 2.908 1.00 0.00 H new ATOM 473 N GLY A 35 5.106 0.908 3.938 1.00 0.00 N ATOM 474 CA GLY A 35 3.689 0.762 3.617 1.00 0.00 C ATOM 475 C GLY A 35 2.911 0.968 4.908 1.00 0.00 C ATOM 476 O GLY A 35 3.513 1.021 5.984 1.00 0.00 O ATOM 0 H GLY A 35 5.254 1.448 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.388 1.492 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.489 -0.225 3.201 1.00 0.00 H new ATOM 480 N TYR A 36 1.594 1.122 4.799 1.00 0.00 N ATOM 481 CA TYR A 36 0.721 1.486 5.905 1.00 0.00 C ATOM 482 C TYR A 36 -0.731 1.411 5.439 1.00 0.00 C ATOM 483 O TYR A 36 -1.005 1.374 4.237 1.00 0.00 O ATOM 484 CB TYR A 36 1.110 2.855 6.495 1.00 0.00 C ATOM 485 CG TYR A 36 1.512 3.940 5.523 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.729 4.210 4.389 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.611 4.764 5.824 1.00 0.00 C ATOM 488 CE1 TYR A 36 1.077 5.261 3.533 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.918 5.848 4.988 1.00 0.00 C ATOM 490 CZ TYR A 36 2.142 6.105 3.853 1.00 0.00 C ATOM 491 OH TYR A 36 2.466 7.138 3.034 1.00 0.00 O ATOM 0 H TYR A 36 1.096 0.994 3.918 1.00 0.00 H new ATOM 0 HA TYR A 36 0.840 0.778 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.267 3.222 7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.936 2.701 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.141 3.607 4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.216 4.563 6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.520 5.420 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.757 6.487 5.222 1.00 0.00 H new ATOM 0 HH TYR A 36 1.866 7.141 2.259 1.00 0.00 H new ATOM 500 N CYS A 37 -1.651 1.354 6.395 1.00 0.00 N ATOM 501 CA CYS A 37 -3.064 1.123 6.153 1.00 0.00 C ATOM 502 C CYS A 37 -3.729 2.478 5.925 1.00 0.00 C ATOM 503 O CYS A 37 -4.120 3.154 6.874 1.00 0.00 O ATOM 504 CB CYS A 37 -3.647 0.340 7.336 1.00 0.00 C ATOM 505 SG CYS A 37 -2.909 -1.307 7.510 1.00 0.00 S ATOM 0 H CYS A 37 -1.426 1.470 7.383 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.241 0.518 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.488 0.905 8.255 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.725 0.240 7.206 1.00 0.00 H new ATOM 509 N CYS A 38 -3.812 2.908 4.663 1.00 0.00 N ATOM 510 CA CYS A 38 -4.479 4.153 4.307 1.00 0.00 C ATOM 511 C CYS A 38 -5.990 3.979 4.421 1.00 0.00 C ATOM 512 O CYS A 38 -6.476 2.886 4.699 1.00 0.00 O ATOM 513 CB CYS A 38 -4.124 4.595 2.878 1.00 0.00 C ATOM 514 SG CYS A 38 -2.378 4.832 2.542 1.00 0.00 S ATOM 0 H CYS A 38 -3.420 2.403 3.868 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.137 4.924 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.510 3.851 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.645 5.529 2.667 1.00 0.00 H new ATOM 518 N LEU A 39 -6.700 5.074 4.126 1.00 0.00 N ATOM 519 CA LEU A 39 -8.138 5.310 4.167 1.00 0.00 C ATOM 520 C LEU A 39 -8.980 4.040 4.338 1.00 0.00 C ATOM 521 O LEU A 39 -9.716 3.916 5.313 1.00 0.00 O ATOM 522 CB LEU A 39 -8.520 6.122 2.911 1.00 0.00 C ATOM 523 CG LEU A 39 -9.624 7.175 3.126 1.00 0.00 C ATOM 524 CD1 LEU A 39 -10.893 6.594 3.760 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.127 8.372 3.947 1.00 0.00 C ATOM 0 H LEU A 39 -6.215 5.916 3.815 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.372 5.881 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.628 6.624 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.846 5.430 2.135 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.887 7.523 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.632 7.385 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.300 5.817 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.651 6.166 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.939 9.089 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.791 8.028 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.298 8.851 3.426 1.00 0.00 H new ATOM 536 N LEU A 40 -8.867 3.106 3.393 1.00 0.00 N ATOM 537 CA LEU A 40 -9.400 1.756 3.538 1.00 0.00 C ATOM 538 C LEU A 40 -8.599 0.785 2.669 1.00 0.00 C ATOM 539 O LEU A 40 -9.164 -0.054 1.968 1.00 0.00 O ATOM 540 CB LEU A 40 -10.914 1.741 3.255 1.00 0.00 C ATOM 541 CG LEU A 40 -11.417 2.530 2.049 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.788 2.145 0.705 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.942 2.416 1.948 1.00 0.00 C ATOM 0 H LEU A 40 -8.400 3.268 2.501 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.287 1.416 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.222 0.703 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.425 2.119 4.140 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.106 3.558 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.213 2.763 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.710 2.302 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.993 1.095 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.293 2.982 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.222 1.369 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.398 2.816 2.854 1.00 0.00 H new ATOM 554 N SER A 41 -7.271 0.939 2.643 1.00 0.00 N ATOM 555 CA SER A 41 -6.473 0.347 1.586 1.00 0.00 C ATOM 556 C SER A 41 -4.981 0.447 1.918 1.00 0.00 C ATOM 557 O SER A 41 -4.528 1.484 2.396 1.00 0.00 O ATOM 558 CB SER A 41 -6.822 1.064 0.276 1.00 0.00 C ATOM 559 OG SER A 41 -7.008 2.456 0.509 1.00 0.00 O ATOM 0 H SER A 41 -6.739 1.464 3.337 1.00 0.00 H new ATOM 0 HA SER A 41 -6.695 -0.715 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.025 0.914 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.729 0.635 -0.151 1.00 0.00 H new ATOM 0 HG SER A 41 -6.860 2.950 -0.324 1.00 0.00 H new ATOM 564 N CYS A 42 -4.220 -0.616 1.654 1.00 0.00 N ATOM 565 CA CYS A 42 -2.841 -0.774 2.106 1.00 0.00 C ATOM 566 C CYS A 42 -1.853 -0.297 1.054 1.00 0.00 C ATOM 567 O CYS A 42 -1.752 -0.865 -0.032 1.00 0.00 O ATOM 568 CB CYS A 42 -2.595 -2.253 2.460 1.00 0.00 C ATOM 569 SG CYS A 42 -2.006 -2.585 4.133 1.00 0.00 S ATOM 0 H CYS A 42 -4.555 -1.409 1.107 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.686 -0.157 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.525 -2.801 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.869 -2.658 1.755 1.00 0.00 H new ATOM 573 N TYR A 43 -1.109 0.749 1.399 1.00 0.00 N ATOM 574 CA TYR A 43 -0.010 1.254 0.607 1.00 0.00 C ATOM 575 C TYR A 43 1.208 0.414 0.865 1.00 0.00 C ATOM 576 O TYR A 43 1.393 -0.074 1.978 1.00 0.00 O ATOM 577 CB TYR A 43 0.357 2.653 1.090 1.00 0.00 C ATOM 578 CG TYR A 43 0.972 3.626 0.074 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.633 3.643 -1.301 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.954 4.523 0.527 1.00 0.00 C ATOM 581 CE1 TYR A 43 1.248 4.575 -2.168 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.332 5.617 -0.262 1.00 0.00 C ATOM 583 CZ TYR A 43 1.948 5.660 -1.609 1.00 0.00 C ATOM 584 OH TYR A 43 2.292 6.732 -2.371 1.00 0.00 O ATOM 0 H TYR A 43 -1.263 1.276 2.258 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.305 1.245 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.545 3.115 1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.058 2.548 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.095 2.945 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.420 4.368 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.182 4.456 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.914 6.420 0.164 1.00 0.00 H new ATOM 0 HH TYR A 43 2.402 6.449 -3.303 1.00 0.00 H new ATOM 593 N CYS A 44 2.086 0.391 -0.125 1.00 0.00 N ATOM 594 CA CYS A 44 3.441 -0.041 -0.025 1.00 0.00 C ATOM 595 C CYS A 44 4.281 1.010 -0.746 1.00 0.00 C ATOM 596 O CYS A 44 3.766 1.703 -1.627 1.00 0.00 O ATOM 597 CB CYS A 44 3.523 -1.332 -0.785 1.00 0.00 C ATOM 598 SG CYS A 44 2.842 -2.864 -0.106 1.00 0.00 S ATOM 0 H CYS A 44 1.842 0.694 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 44 3.780 -0.169 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.037 -1.167 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.578 -1.515 -0.988 1.00 0.00 H new ATOM 602 N PHE A 45 5.572 1.078 -0.415 1.00 0.00 N ATOM 603 CA PHE A 45 6.571 1.920 -1.041 1.00 0.00 C ATOM 604 C PHE A 45 7.652 1.036 -1.653 1.00 0.00 C ATOM 605 O PHE A 45 8.488 0.512 -0.921 1.00 0.00 O ATOM 606 CB PHE A 45 7.201 2.844 0.005 1.00 0.00 C ATOM 607 CG PHE A 45 6.305 3.938 0.547 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.453 3.647 1.624 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.481 5.277 0.147 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.918 4.680 2.402 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.878 6.315 0.884 1.00 0.00 C ATOM 612 CZ PHE A 45 5.149 6.021 2.048 1.00 0.00 C ATOM 0 H PHE A 45 5.961 0.513 0.340 1.00 0.00 H new ATOM 0 HA PHE A 45 6.103 2.526 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.543 2.234 0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.084 3.308 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.209 2.620 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.077 5.508 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.327 4.447 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.976 7.338 0.554 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.768 6.820 2.667 1.00 0.00 H new ATOM 621 N GLY A 46 7.650 0.880 -2.978 1.00 0.00 N ATOM 622 CA GLY A 46 8.698 0.156 -3.691 1.00 0.00 C ATOM 623 C GLY A 46 8.436 -1.348 -3.796 1.00 0.00 C ATOM 624 O GLY A 46 9.308 -2.089 -4.241 1.00 0.00 O ATOM 0 H GLY A 46 6.920 1.253 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.797 0.571 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.649 0.317 -3.184 1.00 0.00 H new ATOM 628 N LEU A 47 7.235 -1.801 -3.415 1.00 0.00 N ATOM 629 CA LEU A 47 6.659 -3.027 -3.928 1.00 0.00 C ATOM 630 C LEU A 47 6.871 -3.180 -5.436 1.00 0.00 C ATOM 631 O LEU A 47 7.069 -2.205 -6.168 1.00 0.00 O ATOM 632 CB LEU A 47 5.146 -3.052 -3.629 1.00 0.00 C ATOM 633 CG LEU A 47 4.393 -1.726 -3.802 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.834 -0.788 -4.863 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.889 -1.898 -3.950 1.00 0.00 C ATOM 0 H LEU A 47 6.642 -1.318 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 47 7.164 -3.856 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.682 -3.795 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.006 -3.393 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 47 4.665 -1.260 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.199 0.098 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.869 -0.496 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.759 -1.276 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.421 -0.921 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.677 -2.510 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.489 -2.387 -3.061 1.00 0.00 H new ATOM 646 N ASP A 48 6.728 -4.414 -5.917 1.00 0.00 N ATOM 647 CA ASP A 48 6.411 -4.648 -7.303 1.00 0.00 C ATOM 648 C ASP A 48 5.123 -3.909 -7.664 1.00 0.00 C ATOM 649 O ASP A 48 4.292 -3.547 -6.837 1.00 0.00 O ATOM 650 CB ASP A 48 6.241 -6.148 -7.558 1.00 0.00 C ATOM 651 CG ASP A 48 6.473 -6.625 -8.979 1.00 0.00 C ATOM 652 OD1 ASP A 48 6.304 -5.824 -9.925 1.00 0.00 O ATOM 653 OD2 ASP A 48 6.851 -7.807 -9.129 1.00 0.00 O ATOM 0 H ASP A 48 6.829 -5.261 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 48 7.226 -4.277 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.926 -6.685 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.230 -6.431 -7.264 1.00 0.00 H new ATOM 657 N ASP A 49 5.000 -3.772 -8.963 1.00 0.00 N ATOM 658 CA ASP A 49 3.926 -3.170 -9.734 1.00 0.00 C ATOM 659 C ASP A 49 3.000 -4.277 -10.242 1.00 0.00 C ATOM 660 O ASP A 49 1.777 -4.142 -10.253 1.00 0.00 O ATOM 661 CB ASP A 49 4.554 -2.417 -10.918 1.00 0.00 C ATOM 662 CG ASP A 49 4.000 -1.012 -11.069 1.00 0.00 C ATOM 663 OD1 ASP A 49 2.769 -0.826 -10.979 1.00 0.00 O ATOM 664 OD2 ASP A 49 4.806 -0.070 -11.258 1.00 0.00 O ATOM 0 H ASP A 49 5.734 -4.119 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 49 3.346 -2.478 -9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.634 -2.366 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.375 -2.976 -11.837 1.00 0.00 H new ATOM 668 N ASP A 50 3.625 -5.392 -10.641 1.00 0.00 N ATOM 669 CA ASP A 50 3.010 -6.575 -11.227 1.00 0.00 C ATOM 670 C ASP A 50 1.806 -7.074 -10.426 1.00 0.00 C ATOM 671 O ASP A 50 0.872 -7.631 -11.001 1.00 0.00 O ATOM 672 CB ASP A 50 4.100 -7.650 -11.317 1.00 0.00 C ATOM 673 CG ASP A 50 3.605 -9.007 -11.785 1.00 0.00 C ATOM 674 OD1 ASP A 50 3.083 -9.078 -12.914 1.00 0.00 O ATOM 675 OD2 ASP A 50 3.826 -9.961 -11.001 1.00 0.00 O ATOM 0 H ASP A 50 4.636 -5.491 -10.555 1.00 0.00 H new ATOM 0 HA ASP A 50 2.616 -6.331 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.878 -7.306 -11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.563 -7.764 -10.337 1.00 0.00 H new ATOM 679 N LYS A 51 1.790 -6.885 -9.101 1.00 0.00 N ATOM 680 CA LYS A 51 0.752 -7.461 -8.253 1.00 0.00 C ATOM 681 C LYS A 51 -0.447 -6.505 -8.240 1.00 0.00 C ATOM 682 O LYS A 51 -0.879 -6.044 -7.185 1.00 0.00 O ATOM 683 CB LYS A 51 1.325 -7.763 -6.858 1.00 0.00 C ATOM 684 CG LYS A 51 2.276 -8.978 -6.796 1.00 0.00 C ATOM 685 CD LYS A 51 3.351 -8.972 -7.891 1.00 0.00 C ATOM 686 CE LYS A 51 4.450 -10.026 -7.713 1.00 0.00 C ATOM 687 NZ LYS A 51 5.376 -10.014 -8.867 1.00 0.00 N ATOM 0 H LYS A 51 2.487 -6.336 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 51 0.401 -8.417 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.860 -6.882 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.497 -7.932 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.762 -8.999 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.689 -9.893 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.869 -9.128 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.814 -7.986 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.003 -9.831 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.001 -11.014 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.123 -10.723 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.851 -10.239 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.806 -9.071 -8.957 1.00 0.00 H new ATOM 697 N ALA A 52 -0.957 -6.223 -9.446 1.00 0.00 N ATOM 698 CA ALA A 52 -2.060 -5.336 -9.776 1.00 0.00 C ATOM 699 C ALA A 52 -2.201 -4.166 -8.808 1.00 0.00 C ATOM 700 O ALA A 52 -3.244 -4.010 -8.178 1.00 0.00 O ATOM 701 CB ALA A 52 -3.351 -6.156 -9.880 1.00 0.00 C ATOM 0 H ALA A 52 -0.567 -6.653 -10.285 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.846 -4.876 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.182 -5.496 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.242 -6.910 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.548 -6.646 -8.927 1.00 0.00 H new ATOM 707 N VAL A 53 -1.162 -3.335 -8.693 1.00 0.00 N ATOM 708 CA VAL A 53 -1.215 -2.251 -7.722 1.00 0.00 C ATOM 709 C VAL A 53 -2.358 -1.293 -8.061 1.00 0.00 C ATOM 710 O VAL A 53 -2.523 -0.892 -9.215 1.00 0.00 O ATOM 711 CB VAL A 53 0.120 -1.513 -7.553 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.217 -2.486 -7.128 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.563 -0.732 -8.792 1.00 0.00 C ATOM 0 H VAL A 53 -0.304 -3.390 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.413 -2.704 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.048 -0.772 -6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.157 -1.947 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.945 -2.949 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.333 -3.258 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.514 -0.240 -8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.680 -1.417 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.189 0.018 -9.037 1.00 0.00 H new ATOM 723 N LEU A 54 -3.170 -0.944 -7.066 1.00 0.00 N ATOM 724 CA LEU A 54 -4.335 -0.112 -7.297 1.00 0.00 C ATOM 725 C LEU A 54 -3.954 1.349 -7.491 1.00 0.00 C ATOM 726 O LEU A 54 -2.852 1.807 -7.190 1.00 0.00 O ATOM 727 CB LEU A 54 -5.352 -0.256 -6.162 1.00 0.00 C ATOM 728 CG LEU A 54 -6.430 -1.313 -6.442 1.00 0.00 C ATOM 729 CD1 LEU A 54 -5.826 -2.662 -6.839 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.290 -1.469 -5.186 1.00 0.00 C ATOM 0 H LEU A 54 -3.038 -1.227 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.799 -0.460 -8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.826 -0.518 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.833 0.707 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.036 -0.979 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.626 -3.378 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.228 -2.541 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.193 -3.029 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.063 -2.217 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.663 -1.787 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.758 -0.514 -4.944 1.00 0.00 H new ATOM 741 N LYS A 55 -4.959 2.065 -7.984 1.00 0.00 N ATOM 742 CA LYS A 55 -4.952 3.474 -8.307 1.00 0.00 C ATOM 743 C LYS A 55 -5.447 4.208 -7.067 1.00 0.00 C ATOM 744 O LYS A 55 -6.636 4.161 -6.757 1.00 0.00 O ATOM 745 CB LYS A 55 -5.866 3.726 -9.517 1.00 0.00 C ATOM 746 CG LYS A 55 -5.333 3.041 -10.786 1.00 0.00 C ATOM 747 CD LYS A 55 -6.369 3.021 -11.921 1.00 0.00 C ATOM 748 CE LYS A 55 -6.776 4.432 -12.375 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.699 4.398 -13.531 1.00 0.00 N ATOM 0 H LYS A 55 -5.864 1.637 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.957 3.828 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.868 3.358 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.951 4.799 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.436 3.559 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.040 2.019 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.961 2.474 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.255 2.480 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.252 4.956 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.884 4.999 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.948 5.370 -13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.236 3.921 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.562 3.879 -13.271 1.00 0.00 H new ATOM 759 N ILE A 56 -4.536 4.831 -6.320 1.00 0.00 N ATOM 760 CA ILE A 56 -4.886 5.465 -5.068 1.00 0.00 C ATOM 761 C ILE A 56 -5.519 6.824 -5.377 1.00 0.00 C ATOM 762 O ILE A 56 -5.240 7.415 -6.419 1.00 0.00 O ATOM 763 CB ILE A 56 -3.652 5.478 -4.151 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.564 6.443 -4.618 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.030 4.072 -4.137 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.417 6.484 -3.602 1.00 0.00 C ATOM 0 H ILE A 56 -3.550 4.905 -6.569 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.641 4.917 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.998 5.798 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.185 6.131 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.983 7.441 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.153 4.068 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.760 3.355 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.735 3.795 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.649 7.176 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.798 6.818 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.987 5.488 -3.498 1.00 0.00 H new ATOM 777 N LYS A 57 -6.426 7.295 -4.518 1.00 0.00 N ATOM 778 CA LYS A 57 -7.194 8.493 -4.783 1.00 0.00 C ATOM 779 C LYS A 57 -6.330 9.701 -4.417 1.00 0.00 C ATOM 780 O LYS A 57 -5.428 9.582 -3.586 1.00 0.00 O ATOM 781 CB LYS A 57 -8.510 8.482 -3.988 1.00 0.00 C ATOM 782 CG LYS A 57 -9.383 7.215 -4.159 1.00 0.00 C ATOM 783 CD LYS A 57 -9.670 6.433 -2.855 1.00 0.00 C ATOM 784 CE LYS A 57 -8.531 5.457 -2.520 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.665 4.753 -1.221 1.00 0.00 N ATOM 0 H LYS A 57 -6.641 6.852 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.463 8.544 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.276 8.600 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.099 9.350 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.334 7.506 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.890 6.546 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.804 7.134 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.604 5.881 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.466 4.713 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.590 6.007 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.724 4.619 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.255 5.320 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.111 3.826 -1.373 1.00 0.00 H new ATOM 795 N ASP A 58 -6.624 10.860 -5.000 1.00 0.00 N ATOM 796 CA ASP A 58 -5.859 12.088 -4.799 1.00 0.00 C ATOM 797 C ASP A 58 -5.812 12.444 -3.318 1.00 0.00 C ATOM 798 O ASP A 58 -4.764 12.406 -2.674 1.00 0.00 O ATOM 799 CB ASP A 58 -6.519 13.219 -5.592 1.00 0.00 C ATOM 800 CG ASP A 58 -5.819 14.538 -5.302 1.00 0.00 C ATOM 801 OD1 ASP A 58 -4.825 14.816 -6.004 1.00 0.00 O ATOM 802 OD2 ASP A 58 -6.279 15.217 -4.359 1.00 0.00 O ATOM 0 H ASP A 58 -7.413 10.975 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.837 11.942 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.473 13.001 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.574 13.292 -5.327 1.00 0.00 H new ATOM 806 N ALA A 59 -6.993 12.717 -2.771 1.00 0.00 N ATOM 807 CA ALA A 59 -7.177 13.011 -1.360 1.00 0.00 C ATOM 808 C ALA A 59 -6.457 11.977 -0.492 1.00 0.00 C ATOM 809 O ALA A 59 -5.840 12.333 0.509 1.00 0.00 O ATOM 810 CB ALA A 59 -8.672 13.061 -1.033 1.00 0.00 C ATOM 0 H ALA A 59 -7.860 12.740 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.740 13.985 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.806 13.282 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.149 13.839 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.127 12.098 -1.263 1.00 0.00 H new ATOM 816 N THR A 60 -6.521 10.694 -0.872 1.00 0.00 N ATOM 817 CA THR A 60 -5.868 9.655 -0.099 1.00 0.00 C ATOM 818 C THR A 60 -4.349 9.686 -0.246 1.00 0.00 C ATOM 819 O THR A 60 -3.669 9.419 0.734 1.00 0.00 O ATOM 820 CB THR A 60 -6.464 8.271 -0.354 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.297 7.844 -1.689 1.00 0.00 O ATOM 822 CG2 THR A 60 -7.950 8.285 0.010 1.00 0.00 C ATOM 0 H THR A 60 -7.014 10.363 -1.701 1.00 0.00 H new ATOM 0 HA THR A 60 -6.072 9.877 0.948 1.00 0.00 H new ATOM 0 HB THR A 60 -5.927 7.560 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.834 8.540 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.378 7.299 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.064 8.543 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.468 9.023 -0.602 1.00 0.00 H new ATOM 830 N LYS A 61 -3.786 10.012 -1.412 1.00 0.00 N ATOM 831 CA LYS A 61 -2.379 10.299 -1.506 1.00 0.00 C ATOM 832 C LYS A 61 -2.018 11.425 -0.547 1.00 0.00 C ATOM 833 O LYS A 61 -1.145 11.270 0.293 1.00 0.00 O ATOM 834 CB LYS A 61 -2.130 10.680 -2.949 1.00 0.00 C ATOM 835 CG LYS A 61 -0.654 10.667 -3.317 1.00 0.00 C ATOM 836 CD LYS A 61 -0.697 10.620 -4.838 1.00 0.00 C ATOM 837 CE LYS A 61 0.695 10.786 -5.469 1.00 0.00 C ATOM 838 NZ LYS A 61 1.731 9.949 -4.825 1.00 0.00 N ATOM 0 H LYS A 61 -4.293 10.080 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.759 9.447 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.668 9.991 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.537 11.675 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.137 11.554 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.138 9.803 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.127 9.671 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.355 11.407 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.639 10.533 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.992 11.833 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.565 9.892 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.003 10.373 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.354 8.993 -4.663 1.00 0.00 H new ATOM 848 N SER A 62 -2.707 12.557 -0.633 1.00 0.00 N ATOM 849 CA SER A 62 -2.361 13.695 0.203 1.00 0.00 C ATOM 850 C SER A 62 -2.428 13.361 1.699 1.00 0.00 C ATOM 851 O SER A 62 -1.537 13.742 2.455 1.00 0.00 O ATOM 852 CB SER A 62 -3.257 14.872 -0.187 1.00 0.00 C ATOM 853 OG SER A 62 -3.205 15.018 -1.596 1.00 0.00 O ATOM 0 H SER A 62 -3.495 12.709 -1.263 1.00 0.00 H new ATOM 0 HA SER A 62 -1.321 13.972 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.282 14.695 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.920 15.785 0.303 1.00 0.00 H new ATOM 0 HG SER A 62 -3.775 15.767 -1.868 1.00 0.00 H new ATOM 858 N TYR A 63 -3.445 12.604 2.118 1.00 0.00 N ATOM 859 CA TYR A 63 -3.495 12.002 3.447 1.00 0.00 C ATOM 860 C TYR A 63 -2.254 11.137 3.680 1.00 0.00 C ATOM 861 O TYR A 63 -1.608 11.205 4.725 1.00 0.00 O ATOM 862 CB TYR A 63 -4.761 11.128 3.552 1.00 0.00 C ATOM 863 CG TYR A 63 -4.859 10.218 4.771 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.373 10.653 6.022 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.350 8.899 4.640 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.242 9.744 7.084 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.237 8.000 5.715 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.648 8.410 6.922 1.00 0.00 C ATOM 869 OH TYR A 63 -4.466 7.523 7.941 1.00 0.00 O ATOM 0 H TYR A 63 -4.259 12.392 1.541 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.521 12.789 4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.631 11.785 3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.823 10.508 2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.101 11.689 6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.811 8.582 3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.828 10.071 8.026 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.605 6.990 5.612 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.801 6.642 7.672 1.00 0.00 H new ATOM 878 N CYS A 64 -2.001 10.248 2.726 1.00 0.00 N ATOM 879 CA CYS A 64 -1.261 9.016 2.930 1.00 0.00 C ATOM 880 C CYS A 64 -0.014 8.898 2.038 1.00 0.00 C ATOM 881 O CYS A 64 0.331 7.792 1.627 1.00 0.00 O ATOM 882 CB CYS A 64 -2.221 7.842 2.720 1.00 0.00 C ATOM 883 SG CYS A 64 -1.872 6.427 3.770 1.00 0.00 S ATOM 0 H CYS A 64 -2.316 10.371 1.764 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.874 9.010 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -3.240 8.180 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.176 7.529 1.677 1.00 0.00 H new ATOM 887 N ASP A 65 0.671 10.010 1.740 1.00 0.00 N ATOM 888 CA ASP A 65 1.937 10.039 0.993 1.00 0.00 C ATOM 889 C ASP A 65 3.010 10.749 1.829 1.00 0.00 C ATOM 890 O ASP A 65 4.012 10.156 2.238 1.00 0.00 O ATOM 891 CB ASP A 65 1.676 10.745 -0.348 1.00 0.00 C ATOM 892 CG ASP A 65 2.877 10.790 -1.276 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.944 11.245 -0.822 1.00 0.00 O ATOM 894 OD2 ASP A 65 2.680 10.418 -2.456 1.00 0.00 O ATOM 0 H ASP A 65 0.353 10.938 2.018 1.00 0.00 H new ATOM 0 HA ASP A 65 2.306 9.034 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.857 10.239 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.346 11.765 -0.150 1.00 0.00 H new ATOM 898 N VAL A 66 2.729 12.016 2.154 1.00 0.00 N ATOM 899 CA VAL A 66 3.578 12.911 2.937 1.00 0.00 C ATOM 900 C VAL A 66 4.067 12.254 4.235 1.00 0.00 C ATOM 901 O VAL A 66 5.185 12.517 4.669 1.00 0.00 O ATOM 902 CB VAL A 66 2.812 14.220 3.220 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.626 15.182 4.100 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.458 14.946 1.914 1.00 0.00 C ATOM 0 H VAL A 66 1.860 12.464 1.862 1.00 0.00 H new ATOM 0 HA VAL A 66 4.472 13.137 2.356 1.00 0.00 H new ATOM 0 HB VAL A 66 1.902 13.934 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.050 16.091 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.847 14.703 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.559 15.435 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.919 15.865 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.373 15.187 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.831 14.302 1.298 1.00 0.00 H new ATOM 914 N GLN A 67 3.218 11.398 4.811 1.00 0.00 N ATOM 915 CA GLN A 67 3.423 10.514 5.945 1.00 0.00 C ATOM 916 C GLN A 67 4.901 10.274 6.249 1.00 0.00 C ATOM 917 O GLN A 67 5.417 10.697 7.279 1.00 0.00 O ATOM 918 CB GLN A 67 2.758 9.192 5.547 1.00 0.00 C ATOM 919 CG GLN A 67 1.231 9.245 5.576 1.00 0.00 C ATOM 920 CD GLN A 67 0.614 9.253 6.930 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.140 8.736 7.911 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.619 9.714 6.911 1.00 0.00 N ATOM 0 H GLN A 67 2.269 11.303 4.449 1.00 0.00 H new ATOM 0 HA GLN A 67 3.002 10.955 6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.085 8.917 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.099 8.406 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.906 10.138 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.845 8.387 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.994 10.133 6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.199 9.653 7.748 1.00 0.00 H new ATOM 929 N ILE A 68 5.548 9.549 5.341 1.00 0.00 N ATOM 930 CA ILE A 68 6.935 9.151 5.417 1.00 0.00 C ATOM 931 C ILE A 68 7.754 10.065 4.504 1.00 0.00 C ATOM 932 O ILE A 68 8.853 10.474 4.867 1.00 0.00 O ATOM 933 CB ILE A 68 6.999 7.652 5.076 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.360 6.891 6.255 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.436 7.199 4.824 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.240 5.379 6.046 1.00 0.00 C ATOM 0 H ILE A 68 5.090 9.211 4.495 1.00 0.00 H new ATOM 0 HA ILE A 68 7.371 9.266 6.409 1.00 0.00 H new ATOM 0 HB ILE A 68 6.455 7.445 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.951 7.075 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.366 7.299 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.446 6.135 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.854 7.762 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.035 7.376 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.780 4.926 6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.623 5.181 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.232 4.953 5.895 1.00 0.00 H new ATOM 947 N ILE A 69 7.216 10.421 3.331 1.00 0.00 N ATOM 948 CA ILE A 69 7.829 11.422 2.470 1.00 0.00 C ATOM 949 C ILE A 69 7.600 12.798 3.096 1.00 0.00 C ATOM 950 O ILE A 69 8.468 13.668 3.036 1.00 0.00 O ATOM 951 CB ILE A 69 7.262 11.299 1.041 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.705 9.944 0.454 1.00 0.00 C ATOM 953 CG2 ILE A 69 7.747 12.455 0.151 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.058 9.612 -0.893 1.00 0.00 C ATOM 0 H ILE A 69 6.352 10.024 2.961 1.00 0.00 H new ATOM 0 HA ILE A 69 8.905 11.270 2.385 1.00 0.00 H new ATOM 0 HB ILE A 69 6.174 11.352 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.788 9.947 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.465 9.154 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.332 12.342 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.418 13.404 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.836 12.440 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.419 8.644 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.975 9.575 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.319 10.380 -1.621 1.00 0.00 H new TER 965 ILE A 69