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 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN : amide:sc= 1.1 K(o=1.1,f=-0.36) USER MOD Set 2.1: A 3 ASN : amide:sc= 1.02 K(o=2.3,f=-8.4!) USER MOD Set 2.2: A 43 TYR OH : rot 138:sc= 1.26 USER MOD Set 3.1: A 5 TYR OH : rot 12:sc= 0.839 USER MOD Set 3.2: A 41 SER OG : rot 141:sc= 1.1 USER MOD Set 3.3: A 57 LYS NZ :NH3+ 166:sc= 0.0543 (180deg=-1.06) USER MOD Set 3.4: A 60 THR OG1 : rot -20:sc= 1.75 USER MOD Set 4.1: A 24 ASN : amide:sc= 1.1 K(o=2.3,f=-9.3!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -176:sc= 1.21 (180deg=0) USER MOD Set 5.1: A 14 SER OG : rot -157:sc= 1.1 USER MOD Set 5.2: A 21 TYR OH : rot 30:sc= 0.945 USER MOD Single : A 1 LYS N :NH3+ -166:sc= -0.0153 (180deg=-0.236) USER MOD Single : A 1 LYS NZ :NH3+ -165:sc= 2.23 (180deg=1) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.0904 (180deg=-0.31) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.374 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.3) USER MOD Single : A 20 ASN : amide:sc= -0.184! X(o=-0.18!,f=-0.067) USER MOD Single : A 23 ASN : amide:sc= 0.549 K(o=0.55,f=-0.067) USER MOD Single : A 27 THR OG1 : rot 71:sc= 1.02 USER MOD Single : A 30 TYR OH : rot 17:sc= 1.22 USER MOD Single : A 31 TYR OH : rot 110:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.48 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -20:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -1.11! (180deg=-2.42!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 128:sc= 1.07 (180deg=0.36) USER MOD Single : A 62 SER OG : rot 79:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.836 2.275 -11.793 1.00 0.00 N ATOM 2 CA LYS A 1 6.605 1.433 -10.641 1.00 0.00 C ATOM 3 C LYS A 1 7.139 2.194 -9.434 1.00 0.00 C ATOM 4 O LYS A 1 8.254 2.715 -9.475 1.00 0.00 O ATOM 5 CB LYS A 1 7.341 0.100 -10.764 1.00 0.00 C ATOM 6 CG LYS A 1 7.140 -0.566 -12.135 1.00 0.00 C ATOM 7 CD LYS A 1 7.718 -1.992 -12.192 1.00 0.00 C ATOM 8 CE LYS A 1 6.845 -2.922 -11.342 1.00 0.00 C ATOM 9 NZ LYS A 1 7.262 -4.338 -11.352 1.00 0.00 N ATOM 0 H1 LYS A 1 6.286 1.918 -12.600 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.541 3.248 -11.576 1.00 0.00 H new ATOM 0 H3 LYS A 1 7.848 2.266 -12.033 1.00 0.00 H new ATOM 0 HA LYS A 1 5.542 1.209 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.406 0.261 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.993 -0.575 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.075 -0.600 -12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.613 0.045 -12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.749 -2.344 -13.223 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.743 -1.997 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.850 -2.563 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.816 -2.858 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.494 -4.929 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.476 -4.630 -12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.111 -4.454 -10.762 1.00 0.00 H new ATOM 19 N LYS A 2 6.327 2.330 -8.396 1.00 0.00 N ATOM 20 CA LYS A 2 6.674 3.049 -7.189 1.00 0.00 C ATOM 21 C LYS A 2 5.754 2.534 -6.083 1.00 0.00 C ATOM 22 O LYS A 2 5.180 1.452 -6.180 1.00 0.00 O ATOM 23 CB LYS A 2 6.473 4.549 -7.464 1.00 0.00 C ATOM 24 CG LYS A 2 5.064 4.765 -8.030 1.00 0.00 C ATOM 25 CD LYS A 2 4.198 5.716 -7.211 1.00 0.00 C ATOM 26 CE LYS A 2 4.564 7.202 -7.339 1.00 0.00 C ATOM 27 NZ LYS A 2 4.687 7.651 -8.739 1.00 0.00 N ATOM 0 H LYS A 2 5.388 1.933 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 2 7.709 2.899 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.602 5.121 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.222 4.907 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.148 5.152 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.560 3.801 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.158 5.586 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.264 5.430 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.804 7.801 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.506 7.384 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.698 8.690 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.571 7.283 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.879 7.297 -9.289 1.00 0.00 H new ATOM 37 N ASN A 3 5.578 3.337 -5.043 1.00 0.00 N ATOM 38 CA ASN A 3 4.552 3.163 -4.030 1.00 0.00 C ATOM 39 C ASN A 3 3.184 2.965 -4.690 1.00 0.00 C ATOM 40 O ASN A 3 2.913 3.537 -5.746 1.00 0.00 O ATOM 41 CB ASN A 3 4.472 4.429 -3.159 1.00 0.00 C ATOM 42 CG ASN A 3 5.806 5.067 -2.766 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.884 4.553 -3.049 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.748 6.225 -2.145 1.00 0.00 N ATOM 0 H ASN A 3 6.166 4.154 -4.878 1.00 0.00 H new ATOM 0 HA ASN A 3 4.808 2.291 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.880 5.174 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.929 4.183 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.608 6.711 -1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.843 6.637 -1.918 1.00 0.00 H new ATOM 50 N GLY A 4 2.275 2.241 -4.048 1.00 0.00 N ATOM 51 CA GLY A 4 0.864 2.444 -4.338 1.00 0.00 C ATOM 52 C GLY A 4 0.066 1.686 -3.298 1.00 0.00 C ATOM 53 O GLY A 4 0.474 1.698 -2.137 1.00 0.00 O ATOM 0 H GLY A 4 2.481 1.531 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.617 3.505 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.624 2.086 -5.339 1.00 0.00 H new ATOM 57 N TYR A 5 -1.008 0.984 -3.696 1.00 0.00 N ATOM 58 CA TYR A 5 -1.542 -0.066 -2.838 1.00 0.00 C ATOM 59 C TYR A 5 -1.334 -1.438 -3.423 1.00 0.00 C ATOM 60 O TYR A 5 -1.594 -1.646 -4.603 1.00 0.00 O ATOM 61 CB TYR A 5 -3.020 0.084 -2.429 1.00 0.00 C ATOM 62 CG TYR A 5 -3.639 1.462 -2.297 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.165 2.330 -1.309 1.00 0.00 C ATOM 64 CD2 TYR A 5 -4.922 1.681 -2.827 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.999 3.329 -0.778 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.747 2.700 -2.328 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.309 3.490 -1.259 1.00 0.00 C ATOM 68 OH TYR A 5 -6.269 4.034 -0.455 1.00 0.00 O ATOM 0 H TYR A 5 -1.504 1.123 -4.577 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.959 0.054 -1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.614 -0.469 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.142 -0.419 -1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.151 2.232 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.279 1.055 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.631 3.976 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.718 2.874 -2.768 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.848 4.427 0.338 1.00 0.00 H new ATOM 77 N ALA A 6 -0.899 -2.369 -2.574 1.00 0.00 N ATOM 78 CA ALA A 6 -0.741 -3.742 -2.997 1.00 0.00 C ATOM 79 C ALA A 6 -2.111 -4.379 -3.158 1.00 0.00 C ATOM 80 O ALA A 6 -2.928 -4.322 -2.240 1.00 0.00 O ATOM 81 CB ALA A 6 0.047 -4.523 -1.950 1.00 0.00 C ATOM 0 H ALA A 6 -0.654 -2.191 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.204 -3.762 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.161 -5.557 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.031 -4.071 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.488 -4.500 -1.000 1.00 0.00 H new ATOM 87 N VAL A 7 -2.323 -5.028 -4.299 1.00 0.00 N ATOM 88 CA VAL A 7 -3.361 -6.019 -4.486 1.00 0.00 C ATOM 89 C VAL A 7 -2.732 -7.145 -5.290 1.00 0.00 C ATOM 90 O VAL A 7 -1.755 -6.907 -6.001 1.00 0.00 O ATOM 91 CB VAL A 7 -4.577 -5.422 -5.197 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.214 -4.327 -4.341 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.248 -4.892 -6.602 1.00 0.00 C ATOM 0 H VAL A 7 -1.761 -4.871 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.733 -6.388 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.293 -6.233 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.077 -3.914 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.533 -4.750 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.486 -3.536 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.150 -4.481 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.491 -4.112 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.870 -5.707 -7.219 1.00 0.00 H new ATOM 103 N ASP A 8 -3.247 -8.364 -5.136 1.00 0.00 N ATOM 104 CA ASP A 8 -2.597 -9.549 -5.676 1.00 0.00 C ATOM 105 C ASP A 8 -3.134 -9.904 -7.050 1.00 0.00 C ATOM 106 O ASP A 8 -3.802 -9.100 -7.697 1.00 0.00 O ATOM 107 CB ASP A 8 -2.821 -10.720 -4.713 1.00 0.00 C ATOM 108 CG ASP A 8 -1.542 -11.524 -4.627 1.00 0.00 C ATOM 109 OD1 ASP A 8 -1.349 -12.324 -5.567 1.00 0.00 O ATOM 110 OD2 ASP A 8 -0.759 -11.238 -3.699 1.00 0.00 O ATOM 0 H ASP A 8 -4.117 -8.553 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.532 -9.342 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.103 -10.351 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.640 -11.348 -5.064 1.00 0.00 H new ATOM 114 N SER A 9 -3.049 -11.194 -7.370 1.00 0.00 N ATOM 115 CA SER A 9 -3.987 -11.873 -8.249 1.00 0.00 C ATOM 116 C SER A 9 -5.366 -11.987 -7.560 1.00 0.00 C ATOM 117 O SER A 9 -5.969 -13.056 -7.503 1.00 0.00 O ATOM 118 CB SER A 9 -3.400 -13.236 -8.640 1.00 0.00 C ATOM 119 OG SER A 9 -4.003 -13.716 -9.828 1.00 0.00 O ATOM 0 H SER A 9 -2.311 -11.804 -7.017 1.00 0.00 H new ATOM 0 HA SER A 9 -4.143 -11.303 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.323 -13.147 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.556 -13.951 -7.832 1.00 0.00 H new ATOM 0 HG SER A 9 -3.616 -14.585 -10.063 1.00 0.00 H new ATOM 124 N SER A 10 -5.854 -10.876 -6.999 1.00 0.00 N ATOM 125 CA SER A 10 -7.161 -10.705 -6.385 1.00 0.00 C ATOM 126 C SER A 10 -7.718 -9.323 -6.734 1.00 0.00 C ATOM 127 O SER A 10 -8.877 -9.186 -7.113 1.00 0.00 O ATOM 128 CB SER A 10 -7.024 -10.833 -4.864 1.00 0.00 C ATOM 129 OG SER A 10 -6.087 -9.888 -4.367 1.00 0.00 O ATOM 0 H SER A 10 -5.303 -10.018 -6.963 1.00 0.00 H new ATOM 0 HA SER A 10 -7.842 -11.470 -6.758 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.993 -10.676 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.703 -11.842 -4.606 1.00 0.00 H new ATOM 0 HG SER A 10 -6.012 -9.982 -3.394 1.00 0.00 H new ATOM 134 N GLY A 11 -6.889 -8.295 -6.534 1.00 0.00 N ATOM 135 CA GLY A 11 -7.286 -6.908 -6.499 1.00 0.00 C ATOM 136 C GLY A 11 -7.838 -6.515 -5.122 1.00 0.00 C ATOM 137 O GLY A 11 -8.415 -5.441 -4.980 1.00 0.00 O ATOM 0 H GLY A 11 -5.888 -8.424 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.431 -6.278 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.044 -6.726 -7.261 1.00 0.00 H new ATOM 141 N LYS A 12 -7.659 -7.369 -4.102 1.00 0.00 N ATOM 142 CA LYS A 12 -8.116 -7.099 -2.749 1.00 0.00 C ATOM 143 C LYS A 12 -7.002 -6.412 -1.957 1.00 0.00 C ATOM 144 O LYS A 12 -5.873 -6.896 -1.945 1.00 0.00 O ATOM 145 CB LYS A 12 -8.510 -8.432 -2.105 1.00 0.00 C ATOM 146 CG LYS A 12 -9.011 -8.248 -0.669 1.00 0.00 C ATOM 147 CD LYS A 12 -9.402 -9.610 -0.096 1.00 0.00 C ATOM 148 CE LYS A 12 -9.846 -9.443 1.365 1.00 0.00 C ATOM 149 NZ LYS A 12 -10.218 -10.728 1.990 1.00 0.00 N ATOM 0 H LYS A 12 -7.189 -8.269 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.979 -6.433 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.288 -8.908 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.651 -9.103 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.234 -7.791 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.867 -7.574 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.209 -10.046 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.558 -10.297 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.040 -8.984 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.696 -8.762 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.510 -10.563 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.005 -11.156 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.401 -11.371 1.974 1.00 0.00 H new ATOM 159 N VAL A 13 -7.339 -5.323 -1.259 1.00 0.00 N ATOM 160 CA VAL A 13 -6.478 -4.690 -0.265 1.00 0.00 C ATOM 161 C VAL A 13 -6.831 -5.221 1.126 1.00 0.00 C ATOM 162 O VAL A 13 -7.945 -5.701 1.342 1.00 0.00 O ATOM 163 CB VAL A 13 -6.645 -3.157 -0.293 1.00 0.00 C ATOM 164 CG1 VAL A 13 -6.183 -2.574 -1.630 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.085 -2.694 -0.014 1.00 0.00 C ATOM 0 H VAL A 13 -8.236 -4.851 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.440 -4.928 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.015 -2.784 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.313 -1.492 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.131 -2.812 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.776 -3.003 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.130 -1.606 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.753 -3.110 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.393 -3.038 0.973 1.00 0.00 H new ATOM 175 N SER A 14 -5.913 -5.069 2.083 1.00 0.00 N ATOM 176 CA SER A 14 -6.258 -5.083 3.496 1.00 0.00 C ATOM 177 C SER A 14 -6.660 -3.659 3.881 1.00 0.00 C ATOM 178 O SER A 14 -5.911 -2.726 3.604 1.00 0.00 O ATOM 179 CB SER A 14 -5.067 -5.558 4.335 1.00 0.00 C ATOM 180 OG SER A 14 -4.674 -6.854 3.932 1.00 0.00 O ATOM 0 H SER A 14 -4.919 -4.934 1.897 1.00 0.00 H new ATOM 0 HA SER A 14 -7.080 -5.773 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.233 -4.865 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.336 -5.563 5.391 1.00 0.00 H new ATOM 0 HG SER A 14 -4.187 -7.290 4.662 1.00 0.00 H new ATOM 185 N GLU A 15 -7.836 -3.496 4.495 1.00 0.00 N ATOM 186 CA GLU A 15 -8.328 -2.223 4.989 1.00 0.00 C ATOM 187 C GLU A 15 -7.484 -1.813 6.203 1.00 0.00 C ATOM 188 O GLU A 15 -6.634 -0.933 6.099 1.00 0.00 O ATOM 189 CB GLU A 15 -9.820 -2.413 5.295 1.00 0.00 C ATOM 190 CG GLU A 15 -10.477 -1.137 5.809 1.00 0.00 C ATOM 191 CD GLU A 15 -11.966 -1.348 6.037 1.00 0.00 C ATOM 192 OE1 GLU A 15 -12.285 -2.294 6.789 1.00 0.00 O ATOM 193 OE2 GLU A 15 -12.749 -0.584 5.435 1.00 0.00 O ATOM 0 H GLU A 15 -8.481 -4.268 4.662 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.236 -1.410 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.334 -2.744 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.938 -3.203 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.002 -0.828 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.325 -0.331 5.092 1.00 0.00 H new ATOM 198 N CYS A 16 -7.690 -2.540 7.308 1.00 0.00 N ATOM 199 CA CYS A 16 -6.806 -2.674 8.466 1.00 0.00 C ATOM 200 C CYS A 16 -6.474 -1.377 9.213 1.00 0.00 C ATOM 201 O CYS A 16 -6.953 -0.300 8.880 1.00 0.00 O ATOM 202 CB CYS A 16 -5.564 -3.502 8.097 1.00 0.00 C ATOM 203 SG CYS A 16 -4.291 -2.754 7.045 1.00 0.00 S ATOM 0 H CYS A 16 -8.542 -3.089 7.422 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.382 -3.221 9.212 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.085 -3.808 9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.909 -4.410 7.602 1.00 0.00 H new ATOM 207 N LEU A 17 -5.693 -1.514 10.292 1.00 0.00 N ATOM 208 CA LEU A 17 -5.230 -0.438 11.147 1.00 0.00 C ATOM 209 C LEU A 17 -3.711 -0.506 11.372 1.00 0.00 C ATOM 210 O LEU A 17 -3.036 0.518 11.341 1.00 0.00 O ATOM 211 CB LEU A 17 -5.991 -0.476 12.479 1.00 0.00 C ATOM 212 CG LEU A 17 -6.195 -1.864 13.119 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.132 -1.741 14.647 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.551 -2.470 12.736 1.00 0.00 C ATOM 0 H LEU A 17 -5.356 -2.427 10.599 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.432 0.511 10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.460 0.153 13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.971 -0.025 12.324 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.403 -2.516 12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.276 -2.723 15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.159 -1.347 14.940 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.916 -1.066 14.990 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.658 -3.448 13.206 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.352 -1.814 13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.608 -2.580 11.653 1.00 0.00 H new ATOM 225 N LEU A 18 -3.153 -1.695 11.635 1.00 0.00 N ATOM 226 CA LEU A 18 -1.757 -1.829 12.021 1.00 0.00 C ATOM 227 C LEU A 18 -0.788 -1.549 10.868 1.00 0.00 C ATOM 228 O LEU A 18 -0.708 -2.294 9.892 1.00 0.00 O ATOM 229 CB LEU A 18 -1.507 -3.221 12.595 1.00 0.00 C ATOM 230 CG LEU A 18 -2.226 -3.479 13.924 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.849 -4.896 14.341 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.801 -2.507 15.030 1.00 0.00 C ATOM 0 H LEU A 18 -3.658 -2.580 11.585 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.563 -1.073 12.782 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.828 -3.967 11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.435 -3.357 12.740 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.298 -3.342 13.786 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.334 -5.138 15.287 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.175 -5.600 13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.768 -4.965 14.460 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.343 -2.739 15.947 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.730 -2.604 15.208 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.027 -1.486 14.723 1.00 0.00 H new ATOM 243 N ASN A 19 0.013 -0.500 11.033 1.00 0.00 N ATOM 244 CA ASN A 19 0.975 -0.052 10.042 1.00 0.00 C ATOM 245 C ASN A 19 1.991 -1.153 9.751 1.00 0.00 C ATOM 246 O ASN A 19 2.195 -1.532 8.600 1.00 0.00 O ATOM 247 CB ASN A 19 1.679 1.220 10.536 1.00 0.00 C ATOM 248 CG ASN A 19 0.800 2.462 10.480 1.00 0.00 C ATOM 249 OD1 ASN A 19 -0.371 2.399 10.127 1.00 0.00 O ATOM 250 ND2 ASN A 19 1.369 3.608 10.830 1.00 0.00 N ATOM 0 H ASN A 19 0.008 0.071 11.878 1.00 0.00 H new ATOM 0 HA ASN A 19 0.449 0.178 9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.012 1.066 11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.572 1.389 9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.828 4.473 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.347 3.624 11.119 1.00 0.00 H new ATOM 256 N ASN A 20 2.629 -1.664 10.809 1.00 0.00 N ATOM 257 CA ASN A 20 3.693 -2.657 10.698 1.00 0.00 C ATOM 258 C ASN A 20 3.200 -3.895 9.950 1.00 0.00 C ATOM 259 O ASN A 20 3.922 -4.418 9.105 1.00 0.00 O ATOM 260 CB ASN A 20 4.225 -3.029 12.088 1.00 0.00 C ATOM 261 CG ASN A 20 5.588 -3.732 12.081 1.00 0.00 C ATOM 262 OD1 ASN A 20 6.317 -3.642 13.062 1.00 0.00 O ATOM 263 ND2 ASN A 20 5.979 -4.429 11.016 1.00 0.00 N ATOM 0 H ASN A 20 2.418 -1.396 11.770 1.00 0.00 H new ATOM 0 HA ASN A 20 4.513 -2.224 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.301 -2.122 12.688 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.499 -3.677 12.579 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.889 -4.891 11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.369 -4.501 10.202 1.00 0.00 H new ATOM 269 N TYR A 21 1.991 -4.367 10.267 1.00 0.00 N ATOM 270 CA TYR A 21 1.353 -5.464 9.548 1.00 0.00 C ATOM 271 C TYR A 21 1.375 -5.168 8.049 1.00 0.00 C ATOM 272 O TYR A 21 1.879 -5.966 7.258 1.00 0.00 O ATOM 273 CB TYR A 21 -0.081 -5.654 10.071 1.00 0.00 C ATOM 274 CG TYR A 21 -1.038 -6.323 9.100 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.005 -7.717 8.911 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.879 -5.530 8.295 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.801 -8.311 7.915 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.633 -6.119 7.268 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.597 -7.509 7.079 1.00 0.00 C ATOM 280 OH TYR A 21 -3.294 -8.062 6.043 1.00 0.00 O ATOM 0 H TYR A 21 1.429 -3.995 11.032 1.00 0.00 H new ATOM 0 HA TYR A 21 1.896 -6.394 9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.042 -6.247 10.985 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.485 -4.678 10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.368 -8.331 9.531 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.944 -4.466 8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.801 -9.384 7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.241 -5.502 6.623 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.537 -8.984 6.268 1.00 0.00 H new ATOM 289 N CYS A 22 0.832 -4.012 7.664 1.00 0.00 N ATOM 290 CA CYS A 22 0.716 -3.659 6.261 1.00 0.00 C ATOM 291 C CYS A 22 2.089 -3.614 5.609 1.00 0.00 C ATOM 292 O CYS A 22 2.295 -4.261 4.593 1.00 0.00 O ATOM 293 CB CYS A 22 -0.035 -2.341 6.079 1.00 0.00 C ATOM 294 SG CYS A 22 -1.572 -2.541 5.167 1.00 0.00 S ATOM 0 H CYS A 22 0.468 -3.310 8.308 1.00 0.00 H new ATOM 0 HA CYS A 22 0.131 -4.432 5.762 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.251 -1.912 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.605 -1.632 5.554 1.00 0.00 H new ATOM 298 N ASN A 23 3.037 -2.895 6.213 1.00 0.00 N ATOM 299 CA ASN A 23 4.446 -2.888 5.841 1.00 0.00 C ATOM 300 C ASN A 23 4.962 -4.307 5.576 1.00 0.00 C ATOM 301 O ASN A 23 5.593 -4.575 4.552 1.00 0.00 O ATOM 302 CB ASN A 23 5.199 -2.280 7.037 1.00 0.00 C ATOM 303 CG ASN A 23 6.393 -1.437 6.654 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.495 -1.939 6.478 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.184 -0.127 6.603 1.00 0.00 N ATOM 0 H ASN A 23 2.834 -2.281 7.002 1.00 0.00 H new ATOM 0 HA ASN A 23 4.596 -2.317 4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.506 -1.668 7.615 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.532 -3.087 7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.960 0.506 6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.247 0.246 6.756 1.00 0.00 H new ATOM 311 N ASN A 24 4.695 -5.233 6.502 1.00 0.00 N ATOM 312 CA ASN A 24 5.159 -6.591 6.405 1.00 0.00 C ATOM 313 C ASN A 24 4.608 -7.274 5.158 1.00 0.00 C ATOM 314 O ASN A 24 5.381 -7.837 4.393 1.00 0.00 O ATOM 315 CB ASN A 24 4.771 -7.334 7.683 1.00 0.00 C ATOM 316 CG ASN A 24 5.844 -8.343 8.035 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.734 -9.544 7.788 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.929 -7.831 8.605 1.00 0.00 N ATOM 0 H ASN A 24 4.146 -5.044 7.340 1.00 0.00 H new ATOM 0 HA ASN A 24 6.244 -6.603 6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.642 -6.626 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.815 -7.839 7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.709 -8.439 8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.982 -6.830 8.793 1.00 0.00 H new ATOM 324 N ILE A 25 3.290 -7.219 4.943 1.00 0.00 N ATOM 325 CA ILE A 25 2.614 -7.794 3.781 1.00 0.00 C ATOM 326 C ILE A 25 3.208 -7.222 2.486 1.00 0.00 C ATOM 327 O ILE A 25 3.643 -7.952 1.591 1.00 0.00 O ATOM 328 CB ILE A 25 1.113 -7.475 3.919 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.505 -8.158 5.153 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.310 -7.799 2.657 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.195 -9.648 4.971 1.00 0.00 C ATOM 0 H ILE A 25 2.649 -6.761 5.591 1.00 0.00 H new ATOM 0 HA ILE A 25 2.753 -8.874 3.736 1.00 0.00 H new ATOM 0 HB ILE A 25 1.046 -6.396 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.193 -8.043 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.415 -7.639 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.739 -7.552 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.695 -7.215 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.401 -8.861 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.231 -10.046 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.519 -9.774 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.114 -10.185 4.734 1.00 0.00 H new ATOM 342 N CYS A 26 3.213 -5.889 2.434 1.00 0.00 N ATOM 343 CA CYS A 26 3.757 -5.024 1.396 1.00 0.00 C ATOM 344 C CYS A 26 5.111 -5.549 0.922 1.00 0.00 C ATOM 345 O CYS A 26 5.293 -5.809 -0.266 1.00 0.00 O ATOM 346 CB CYS A 26 3.802 -3.578 1.929 1.00 0.00 C ATOM 347 SG CYS A 26 2.253 -2.686 1.808 1.00 0.00 S ATOM 0 H CYS A 26 2.798 -5.342 3.188 1.00 0.00 H new ATOM 0 HA CYS A 26 3.117 -5.024 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.112 -3.600 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.566 -3.027 1.381 1.00 0.00 H new ATOM 351 N THR A 27 6.066 -5.731 1.834 1.00 0.00 N ATOM 352 CA THR A 27 7.368 -6.257 1.435 1.00 0.00 C ATOM 353 C THR A 27 7.317 -7.770 1.146 1.00 0.00 C ATOM 354 O THR A 27 8.018 -8.252 0.260 1.00 0.00 O ATOM 355 CB THR A 27 8.452 -5.812 2.429 1.00 0.00 C ATOM 356 OG1 THR A 27 9.735 -5.960 1.862 1.00 0.00 O ATOM 357 CG2 THR A 27 8.399 -6.573 3.748 1.00 0.00 C ATOM 0 H THR A 27 5.967 -5.528 2.829 1.00 0.00 H new ATOM 0 HA THR A 27 7.655 -5.823 0.477 1.00 0.00 H new ATOM 0 HB THR A 27 8.253 -4.762 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.865 -5.283 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.189 -6.214 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.430 -6.413 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.540 -7.637 3.560 1.00 0.00 H new ATOM 365 N LYS A 28 6.476 -8.530 1.858 1.00 0.00 N ATOM 366 CA LYS A 28 6.411 -9.988 1.763 1.00 0.00 C ATOM 367 C LYS A 28 6.244 -10.468 0.322 1.00 0.00 C ATOM 368 O LYS A 28 6.959 -11.368 -0.116 1.00 0.00 O ATOM 369 CB LYS A 28 5.249 -10.546 2.613 1.00 0.00 C ATOM 370 CG LYS A 28 5.667 -11.685 3.546 1.00 0.00 C ATOM 371 CD LYS A 28 6.374 -11.123 4.785 1.00 0.00 C ATOM 372 CE LYS A 28 6.632 -12.235 5.809 1.00 0.00 C ATOM 373 NZ LYS A 28 7.191 -11.694 7.063 1.00 0.00 N ATOM 0 H LYS A 28 5.812 -8.140 2.527 1.00 0.00 H new ATOM 0 HA LYS A 28 7.361 -10.362 2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.823 -9.738 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.462 -10.902 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.790 -12.258 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.331 -12.371 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.318 -10.663 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.763 -10.341 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.700 -12.760 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.321 -12.967 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.417 -12.477 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.057 -11.157 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.494 -11.066 7.511 1.00 0.00 H new ATOM 383 N VAL A 29 5.231 -9.937 -0.368 1.00 0.00 N ATOM 384 CA VAL A 29 4.742 -10.477 -1.615 1.00 0.00 C ATOM 385 C VAL A 29 4.976 -9.482 -2.750 1.00 0.00 C ATOM 386 O VAL A 29 5.382 -9.865 -3.844 1.00 0.00 O ATOM 387 CB VAL A 29 3.261 -10.806 -1.385 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.483 -10.826 -2.687 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.123 -12.154 -0.682 1.00 0.00 C ATOM 0 H VAL A 29 4.727 -9.105 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 29 5.270 -11.382 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 29 2.844 -10.021 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.439 -11.062 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.547 -9.848 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.903 -11.582 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.067 -12.376 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.570 -12.934 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.633 -12.116 0.280 1.00 0.00 H new ATOM 399 N TYR A 30 4.677 -8.210 -2.496 1.00 0.00 N ATOM 400 CA TYR A 30 4.715 -7.137 -3.468 1.00 0.00 C ATOM 401 C TYR A 30 6.103 -6.484 -3.527 1.00 0.00 C ATOM 402 O TYR A 30 6.332 -5.574 -4.330 1.00 0.00 O ATOM 403 CB TYR A 30 3.626 -6.137 -3.074 1.00 0.00 C ATOM 404 CG TYR A 30 2.307 -6.775 -2.676 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.386 -7.157 -3.665 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.080 -7.147 -1.340 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.320 -8.017 -3.339 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.013 -7.996 -1.014 1.00 0.00 C ATOM 409 CZ TYR A 30 0.167 -8.482 -2.023 1.00 0.00 C ATOM 410 OH TYR A 30 -0.718 -9.476 -1.740 1.00 0.00 O ATOM 0 H TYR A 30 4.391 -7.894 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 30 4.528 -7.518 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.988 -5.531 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.451 -5.460 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.495 -6.791 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.730 -6.777 -0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.381 -8.320 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.842 -8.276 0.015 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.969 -9.936 -2.568 1.00 0.00 H new ATOM 419 N TYR A 31 7.020 -6.946 -2.665 1.00 0.00 N ATOM 420 CA TYR A 31 8.376 -6.443 -2.523 1.00 0.00 C ATOM 421 C TYR A 31 8.420 -4.924 -2.430 1.00 0.00 C ATOM 422 O TYR A 31 9.354 -4.280 -2.896 1.00 0.00 O ATOM 423 CB TYR A 31 9.330 -7.112 -3.497 1.00 0.00 C ATOM 424 CG TYR A 31 9.591 -8.561 -3.144 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.606 -8.872 -2.219 1.00 0.00 C ATOM 426 CD2 TYR A 31 8.631 -9.534 -3.476 1.00 0.00 C ATOM 427 CE1 TYR A 31 10.601 -10.111 -1.559 1.00 0.00 C ATOM 428 CE2 TYR A 31 8.591 -10.748 -2.771 1.00 0.00 C ATOM 429 CZ TYR A 31 9.553 -11.017 -1.784 1.00 0.00 C ATOM 430 OH TYR A 31 9.405 -12.093 -0.963 1.00 0.00 O ATOM 0 H TYR A 31 6.819 -7.714 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 31 8.771 -6.745 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.917 -7.055 -4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.274 -6.568 -3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.389 -8.156 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.925 -9.348 -4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.401 -10.366 -0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.821 -11.474 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 31 8.605 -11.975 -0.410 1.00 0.00 H new ATOM 439 N ALA A 32 7.424 -4.364 -1.740 1.00 0.00 N ATOM 440 CA ALA A 32 7.511 -3.007 -1.252 1.00 0.00 C ATOM 441 C ALA A 32 8.678 -2.870 -0.269 1.00 0.00 C ATOM 442 O ALA A 32 9.275 -3.854 0.173 1.00 0.00 O ATOM 443 CB ALA A 32 6.209 -2.676 -0.534 1.00 0.00 C ATOM 0 H ALA A 32 6.551 -4.839 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 32 7.676 -2.326 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.251 -1.654 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.375 -2.771 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.067 -3.365 0.299 1.00 0.00 H new ATOM 449 N THR A 33 8.937 -1.632 0.137 1.00 0.00 N ATOM 450 CA THR A 33 9.790 -1.272 1.243 1.00 0.00 C ATOM 451 C THR A 33 8.875 -1.043 2.450 1.00 0.00 C ATOM 452 O THR A 33 8.541 -1.984 3.164 1.00 0.00 O ATOM 453 CB THR A 33 10.613 -0.036 0.847 1.00 0.00 C ATOM 454 OG1 THR A 33 9.763 0.986 0.348 1.00 0.00 O ATOM 455 CG2 THR A 33 11.634 -0.386 -0.240 1.00 0.00 C ATOM 0 H THR A 33 8.533 -0.818 -0.326 1.00 0.00 H new ATOM 0 HA THR A 33 10.510 -2.048 1.504 1.00 0.00 H new ATOM 0 HB THR A 33 11.133 0.312 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.301 1.767 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.204 0.505 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.312 -1.154 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.113 -0.758 -1.122 1.00 0.00 H new ATOM 463 N SER A 34 8.439 0.204 2.635 1.00 0.00 N ATOM 464 CA SER A 34 7.515 0.613 3.677 1.00 0.00 C ATOM 465 C SER A 34 6.062 0.406 3.215 1.00 0.00 C ATOM 466 O SER A 34 5.815 -0.230 2.191 1.00 0.00 O ATOM 467 CB SER A 34 7.821 2.069 4.058 1.00 0.00 C ATOM 468 OG SER A 34 9.196 2.196 4.361 1.00 0.00 O ATOM 0 H SER A 34 8.733 0.978 2.040 1.00 0.00 H new ATOM 0 HA SER A 34 7.641 -0.002 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.555 2.735 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.219 2.366 4.917 1.00 0.00 H new ATOM 0 HG SER A 34 9.393 3.125 4.603 1.00 0.00 H new ATOM 473 N GLY A 35 5.101 0.969 3.950 1.00 0.00 N ATOM 474 CA GLY A 35 3.667 0.770 3.756 1.00 0.00 C ATOM 475 C GLY A 35 2.974 0.837 5.107 1.00 0.00 C ATOM 476 O GLY A 35 3.644 0.885 6.141 1.00 0.00 O ATOM 0 H GLY A 35 5.310 1.599 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.267 1.534 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.481 -0.195 3.284 1.00 0.00 H new ATOM 480 N TYR A 36 1.643 0.874 5.088 1.00 0.00 N ATOM 481 CA TYR A 36 0.800 1.027 6.262 1.00 0.00 C ATOM 482 C TYR A 36 -0.663 0.936 5.843 1.00 0.00 C ATOM 483 O TYR A 36 -0.977 0.975 4.651 1.00 0.00 O ATOM 484 CB TYR A 36 1.103 2.339 7.008 1.00 0.00 C ATOM 485 CG TYR A 36 1.299 3.566 6.146 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.292 4.005 5.265 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.512 4.269 6.219 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.576 5.012 4.330 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.759 5.327 5.336 1.00 0.00 C ATOM 490 CZ TYR A 36 1.835 5.629 4.334 1.00 0.00 C ATOM 491 OH TYR A 36 2.221 6.445 3.320 1.00 0.00 O ATOM 0 H TYR A 36 1.108 0.795 4.223 1.00 0.00 H new ATOM 0 HA TYR A 36 1.014 0.221 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.286 2.535 7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.002 2.193 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.695 3.568 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.253 3.994 6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.172 5.311 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.664 5.909 5.430 1.00 0.00 H new ATOM 0 HH TYR A 36 1.675 6.262 2.527 1.00 0.00 H new ATOM 500 N CYS A 37 -1.553 0.830 6.828 1.00 0.00 N ATOM 501 CA CYS A 37 -2.990 0.814 6.611 1.00 0.00 C ATOM 502 C CYS A 37 -3.425 2.251 6.330 1.00 0.00 C ATOM 503 O CYS A 37 -3.738 3.010 7.244 1.00 0.00 O ATOM 504 CB CYS A 37 -3.692 0.228 7.840 1.00 0.00 C ATOM 505 SG CYS A 37 -3.203 -1.465 8.263 1.00 0.00 S ATOM 0 H CYS A 37 -1.288 0.752 7.810 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.261 0.185 5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.493 0.873 8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.768 0.248 7.669 1.00 0.00 H new ATOM 509 N CYS A 38 -3.398 2.643 5.056 1.00 0.00 N ATOM 510 CA CYS A 38 -4.004 3.881 4.587 1.00 0.00 C ATOM 511 C CYS A 38 -5.501 3.848 4.906 1.00 0.00 C ATOM 512 O CYS A 38 -6.054 2.766 5.076 1.00 0.00 O ATOM 513 CB CYS A 38 -3.785 4.002 3.075 1.00 0.00 C ATOM 514 SG CYS A 38 -4.580 5.411 2.270 1.00 0.00 S ATOM 0 H CYS A 38 -2.950 2.102 4.317 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.550 4.740 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.713 4.059 2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.144 3.088 2.602 1.00 0.00 H new ATOM 518 N LEU A 39 -6.141 5.023 4.946 1.00 0.00 N ATOM 519 CA LEU A 39 -7.558 5.294 5.132 1.00 0.00 C ATOM 520 C LEU A 39 -8.480 4.068 5.076 1.00 0.00 C ATOM 521 O LEU A 39 -9.220 3.822 6.024 1.00 0.00 O ATOM 522 CB LEU A 39 -7.954 6.368 4.107 1.00 0.00 C ATOM 523 CG LEU A 39 -7.938 7.786 4.695 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.049 8.809 3.560 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.110 8.015 5.662 1.00 0.00 C ATOM 0 H LEU A 39 -5.618 5.892 4.837 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.700 5.646 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.271 6.324 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.951 6.149 3.725 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.003 7.904 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.038 9.816 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.207 8.689 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.981 8.651 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.063 9.030 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.052 7.875 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.047 7.303 6.485 1.00 0.00 H new ATOM 536 N LEU A 40 -8.451 3.317 3.970 1.00 0.00 N ATOM 537 CA LEU A 40 -9.086 2.009 3.900 1.00 0.00 C ATOM 538 C LEU A 40 -8.376 1.115 2.876 1.00 0.00 C ATOM 539 O LEU A 40 -9.011 0.520 2.005 1.00 0.00 O ATOM 540 CB LEU A 40 -10.601 2.163 3.661 1.00 0.00 C ATOM 541 CG LEU A 40 -11.049 3.221 2.657 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.439 3.085 1.257 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.578 3.223 2.551 1.00 0.00 C ATOM 0 H LEU A 40 -7.988 3.602 3.107 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.983 1.496 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.990 1.200 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.072 2.386 4.618 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.678 4.168 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.818 3.881 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.354 3.159 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.711 2.118 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.892 3.980 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.921 2.243 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.010 3.447 3.526 1.00 0.00 H new ATOM 554 N SER A 41 -7.039 1.048 2.920 1.00 0.00 N ATOM 555 CA SER A 41 -6.260 0.248 1.981 1.00 0.00 C ATOM 556 C SER A 41 -4.853 0.008 2.526 1.00 0.00 C ATOM 557 O SER A 41 -4.437 0.685 3.461 1.00 0.00 O ATOM 558 CB SER A 41 -6.128 0.984 0.643 1.00 0.00 C ATOM 559 OG SER A 41 -7.321 1.646 0.251 1.00 0.00 O ATOM 0 H SER A 41 -6.474 1.547 3.607 1.00 0.00 H new ATOM 0 HA SER A 41 -6.776 -0.702 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.322 1.714 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.844 0.271 -0.131 1.00 0.00 H new ATOM 0 HG SER A 41 -7.097 2.507 -0.160 1.00 0.00 H new ATOM 564 N CYS A 42 -4.083 -0.873 1.879 1.00 0.00 N ATOM 565 CA CYS A 42 -2.713 -1.163 2.277 1.00 0.00 C ATOM 566 C CYS A 42 -1.717 -0.479 1.363 1.00 0.00 C ATOM 567 O CYS A 42 -1.369 -0.974 0.286 1.00 0.00 O ATOM 568 CB CYS A 42 -2.488 -2.671 2.324 1.00 0.00 C ATOM 569 SG CYS A 42 -1.020 -3.137 3.255 1.00 0.00 S ATOM 0 H CYS A 42 -4.397 -1.402 1.066 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.552 -0.763 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.360 -3.149 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.401 -3.051 1.306 1.00 0.00 H new ATOM 573 N TYR A 43 -1.281 0.689 1.834 1.00 0.00 N ATOM 574 CA TYR A 43 -0.215 1.441 1.230 1.00 0.00 C ATOM 575 C TYR A 43 1.056 0.670 1.334 1.00 0.00 C ATOM 576 O TYR A 43 1.304 0.038 2.356 1.00 0.00 O ATOM 577 CB TYR A 43 0.038 2.734 1.984 1.00 0.00 C ATOM 578 CG TYR A 43 0.494 3.856 1.061 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.303 4.235 -0.034 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.841 4.266 1.092 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.278 4.882 -1.138 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.351 5.125 0.103 1.00 0.00 C ATOM 583 CZ TYR A 43 1.571 5.404 -1.034 1.00 0.00 C ATOM 584 OH TYR A 43 2.054 6.125 -2.082 1.00 0.00 O ATOM 0 H TYR A 43 -1.675 1.135 2.662 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.506 1.638 0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.874 3.037 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.795 2.565 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.363 4.029 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.488 3.917 1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.272 4.976 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.331 5.566 0.215 1.00 0.00 H new ATOM 0 HH TYR A 43 2.528 6.914 -1.745 1.00 0.00 H new ATOM 593 N CYS A 44 1.865 0.830 0.305 1.00 0.00 N ATOM 594 CA CYS A 44 3.084 0.137 0.096 1.00 0.00 C ATOM 595 C CYS A 44 4.005 1.126 -0.610 1.00 0.00 C ATOM 596 O CYS A 44 3.527 1.816 -1.507 1.00 0.00 O ATOM 597 CB CYS A 44 2.690 -0.965 -0.844 1.00 0.00 C ATOM 598 SG CYS A 44 1.919 -2.494 -0.237 1.00 0.00 S ATOM 0 H CYS A 44 1.660 1.492 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 44 3.576 -0.246 0.990 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.005 -0.531 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.589 -1.256 -1.386 1.00 0.00 H new ATOM 602 N PHE A 45 5.287 1.205 -0.238 1.00 0.00 N ATOM 603 CA PHE A 45 6.258 2.105 -0.852 1.00 0.00 C ATOM 604 C PHE A 45 7.171 1.324 -1.784 1.00 0.00 C ATOM 605 O PHE A 45 7.704 0.296 -1.382 1.00 0.00 O ATOM 606 CB PHE A 45 7.120 2.800 0.203 1.00 0.00 C ATOM 607 CG PHE A 45 6.442 3.940 0.928 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.434 3.664 1.861 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.837 5.273 0.703 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.900 4.695 2.642 1.00 0.00 C ATOM 611 CE2 PHE A 45 6.199 6.320 1.389 1.00 0.00 C ATOM 612 CZ PHE A 45 5.241 6.030 2.375 1.00 0.00 C ATOM 0 H PHE A 45 5.681 0.635 0.510 1.00 0.00 H new ATOM 0 HA PHE A 45 5.701 2.860 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.438 2.059 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.022 3.179 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.069 2.654 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.630 5.490 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.224 4.463 3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.445 7.346 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.769 6.831 2.925 1.00 0.00 H new ATOM 621 N GLY A 46 7.409 1.836 -2.992 1.00 0.00 N ATOM 622 CA GLY A 46 8.293 1.224 -3.964 1.00 0.00 C ATOM 623 C GLY A 46 7.893 -0.221 -4.228 1.00 0.00 C ATOM 624 O GLY A 46 8.692 -1.118 -3.980 1.00 0.00 O ATOM 0 H GLY A 46 6.982 2.702 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.263 1.790 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.320 1.261 -3.601 1.00 0.00 H new ATOM 628 N LEU A 47 6.669 -0.454 -4.723 1.00 0.00 N ATOM 629 CA LEU A 47 6.298 -1.783 -5.179 1.00 0.00 C ATOM 630 C LEU A 47 7.304 -2.204 -6.254 1.00 0.00 C ATOM 631 O LEU A 47 7.590 -1.428 -7.167 1.00 0.00 O ATOM 632 CB LEU A 47 4.853 -1.831 -5.711 1.00 0.00 C ATOM 633 CG LEU A 47 3.726 -1.555 -4.700 1.00 0.00 C ATOM 634 CD1 LEU A 47 2.432 -2.301 -5.004 1.00 0.00 C ATOM 635 CD2 LEU A 47 4.012 -2.172 -3.380 1.00 0.00 C ATOM 0 H LEU A 47 5.938 0.252 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 47 6.327 -2.479 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.766 -1.107 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.685 -2.817 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 47 3.650 -0.468 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.685 -2.056 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.064 -2.006 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.620 -3.375 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.194 -1.956 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.112 -3.251 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.940 -1.763 -2.980 1.00 0.00 H new ATOM 646 N ASP A 48 7.868 -3.404 -6.110 1.00 0.00 N ATOM 647 CA ASP A 48 8.998 -3.860 -6.919 1.00 0.00 C ATOM 648 C ASP A 48 8.521 -4.927 -7.886 1.00 0.00 C ATOM 649 O ASP A 48 8.508 -4.730 -9.102 1.00 0.00 O ATOM 650 CB ASP A 48 10.092 -4.413 -6.010 1.00 0.00 C ATOM 651 CG ASP A 48 11.253 -4.943 -6.833 1.00 0.00 C ATOM 652 OD1 ASP A 48 12.056 -4.106 -7.294 1.00 0.00 O ATOM 653 OD2 ASP A 48 11.291 -6.179 -7.015 1.00 0.00 O ATOM 0 H ASP A 48 7.552 -4.090 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 48 9.408 -3.024 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.443 -3.631 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.686 -5.210 -5.387 1.00 0.00 H new ATOM 657 N ASP A 49 8.043 -6.028 -7.304 1.00 0.00 N ATOM 658 CA ASP A 49 7.129 -6.953 -7.947 1.00 0.00 C ATOM 659 C ASP A 49 6.011 -6.133 -8.589 1.00 0.00 C ATOM 660 O ASP A 49 5.923 -6.099 -9.819 1.00 0.00 O ATOM 661 CB ASP A 49 6.627 -7.948 -6.898 1.00 0.00 C ATOM 662 CG ASP A 49 5.314 -8.611 -7.273 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.252 -7.999 -7.027 1.00 0.00 O ATOM 664 OD2 ASP A 49 5.295 -9.776 -7.712 1.00 0.00 O ATOM 0 H ASP A 49 8.290 -6.301 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 49 7.607 -7.536 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.384 -8.718 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.505 -7.430 -5.947 1.00 0.00 H new ATOM 668 N ASP A 50 5.248 -5.398 -7.763 1.00 0.00 N ATOM 669 CA ASP A 50 4.189 -4.479 -8.195 1.00 0.00 C ATOM 670 C ASP A 50 3.351 -5.151 -9.270 1.00 0.00 C ATOM 671 O ASP A 50 3.319 -4.769 -10.443 1.00 0.00 O ATOM 672 CB ASP A 50 4.819 -3.235 -8.783 1.00 0.00 C ATOM 673 CG ASP A 50 3.839 -2.181 -9.288 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.629 -2.320 -9.004 1.00 0.00 O ATOM 675 OD2 ASP A 50 4.328 -1.248 -9.959 1.00 0.00 O ATOM 0 H ASP A 50 5.356 -5.430 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 50 3.564 -4.216 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.458 -2.780 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.465 -3.531 -9.609 1.00 0.00 H new ATOM 679 N LYS A 51 2.734 -6.241 -8.855 1.00 0.00 N ATOM 680 CA LYS A 51 1.981 -7.028 -9.839 1.00 0.00 C ATOM 681 C LYS A 51 0.872 -6.163 -10.456 1.00 0.00 C ATOM 682 O LYS A 51 0.572 -6.301 -11.639 1.00 0.00 O ATOM 683 CB LYS A 51 1.539 -8.426 -9.384 1.00 0.00 C ATOM 684 CG LYS A 51 0.492 -8.484 -8.267 1.00 0.00 C ATOM 685 CD LYS A 51 1.113 -8.410 -6.871 1.00 0.00 C ATOM 686 CE LYS A 51 1.547 -9.762 -6.282 1.00 0.00 C ATOM 687 NZ LYS A 51 2.770 -10.276 -6.923 1.00 0.00 N ATOM 0 H LYS A 51 2.730 -6.596 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 51 2.679 -7.293 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.143 -8.957 -10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.422 -8.971 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.212 -7.661 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.079 -9.408 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.981 -7.752 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.394 -7.949 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.717 -9.653 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.742 -10.486 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.355 -10.764 -6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.512 -10.943 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.308 -9.484 -7.330 1.00 0.00 H new ATOM 697 N ALA A 52 0.339 -5.228 -9.659 1.00 0.00 N ATOM 698 CA ALA A 52 -0.294 -3.999 -10.106 1.00 0.00 C ATOM 699 C ALA A 52 -0.649 -3.163 -8.876 1.00 0.00 C ATOM 700 O ALA A 52 -1.575 -3.540 -8.159 1.00 0.00 O ATOM 701 CB ALA A 52 -1.572 -4.316 -10.891 1.00 0.00 C ATOM 0 H ALA A 52 0.342 -5.320 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 52 0.388 -3.451 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.037 -3.387 -11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.324 -4.925 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.266 -4.862 -10.252 1.00 0.00 H new ATOM 707 N VAL A 53 0.032 -2.040 -8.613 1.00 0.00 N ATOM 708 CA VAL A 53 -0.483 -1.096 -7.630 1.00 0.00 C ATOM 709 C VAL A 53 -1.922 -0.729 -7.985 1.00 0.00 C ATOM 710 O VAL A 53 -2.298 -0.672 -9.157 1.00 0.00 O ATOM 711 CB VAL A 53 0.305 0.233 -7.526 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.679 0.172 -6.861 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.461 1.010 -8.832 1.00 0.00 C ATOM 0 H VAL A 53 0.912 -1.774 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.392 -1.609 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.371 0.767 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.124 1.167 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.572 -0.187 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.323 -0.508 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.027 1.923 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.991 0.395 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.524 1.267 -9.222 1.00 0.00 H new ATOM 723 N LEU A 54 -2.722 -0.424 -6.967 1.00 0.00 N ATOM 724 CA LEU A 54 -4.066 0.051 -7.208 1.00 0.00 C ATOM 725 C LEU A 54 -4.087 1.418 -7.866 1.00 0.00 C ATOM 726 O LEU A 54 -3.134 2.198 -7.861 1.00 0.00 O ATOM 727 CB LEU A 54 -4.894 0.091 -5.919 1.00 0.00 C ATOM 728 CG LEU A 54 -6.274 -0.603 -6.046 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.175 -2.006 -6.650 1.00 0.00 C ATOM 730 CD2 LEU A 54 -6.978 -0.694 -4.690 1.00 0.00 C ATOM 0 H LEU A 54 -2.461 -0.498 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.516 -0.666 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.329 -0.387 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.045 1.130 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.858 0.021 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.171 -2.445 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.740 -1.943 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.544 -2.631 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.943 -1.186 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.363 -1.270 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.130 0.309 -4.291 1.00 0.00 H new ATOM 741 N LYS A 55 -5.287 1.714 -8.339 1.00 0.00 N ATOM 742 CA LYS A 55 -5.683 2.992 -8.883 1.00 0.00 C ATOM 743 C LYS A 55 -6.062 3.886 -7.708 1.00 0.00 C ATOM 744 O LYS A 55 -7.239 4.131 -7.450 1.00 0.00 O ATOM 745 CB LYS A 55 -6.819 2.814 -9.899 1.00 0.00 C ATOM 746 CG LYS A 55 -6.332 2.009 -11.111 1.00 0.00 C ATOM 747 CD LYS A 55 -7.423 1.944 -12.188 1.00 0.00 C ATOM 748 CE LYS A 55 -6.913 1.164 -13.410 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.919 1.095 -14.490 1.00 0.00 N ATOM 0 H LYS A 55 -6.045 1.032 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.870 3.463 -9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.659 2.303 -9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.181 3.789 -10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.433 2.469 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.060 1.001 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.314 1.462 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.712 2.952 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.008 1.638 -13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.640 0.154 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.530 0.560 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.774 0.619 -14.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.161 2.057 -14.801 1.00 0.00 H new ATOM 759 N ILE A 56 -5.044 4.307 -6.957 1.00 0.00 N ATOM 760 CA ILE A 56 -5.214 5.157 -5.795 1.00 0.00 C ATOM 761 C ILE A 56 -6.061 6.392 -6.129 1.00 0.00 C ATOM 762 O ILE A 56 -6.006 6.926 -7.235 1.00 0.00 O ATOM 763 CB ILE A 56 -3.863 5.563 -5.166 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.615 4.940 -5.823 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.891 5.204 -3.683 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.318 5.325 -5.110 1.00 0.00 C ATOM 0 H ILE A 56 -4.072 4.061 -7.146 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.750 4.570 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.764 6.636 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.715 3.855 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.561 5.258 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.943 5.484 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.704 5.740 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.045 4.131 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.473 4.858 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.200 6.408 -5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.356 4.983 -4.076 1.00 0.00 H new ATOM 777 N LYS A 57 -6.827 6.848 -5.140 1.00 0.00 N ATOM 778 CA LYS A 57 -7.646 8.037 -5.204 1.00 0.00 C ATOM 779 C LYS A 57 -6.752 9.176 -4.759 1.00 0.00 C ATOM 780 O LYS A 57 -6.035 9.018 -3.775 1.00 0.00 O ATOM 781 CB LYS A 57 -8.838 7.964 -4.246 1.00 0.00 C ATOM 782 CG LYS A 57 -9.566 6.605 -4.221 1.00 0.00 C ATOM 783 CD LYS A 57 -8.945 5.620 -3.214 1.00 0.00 C ATOM 784 CE LYS A 57 -9.548 5.695 -1.806 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.515 5.441 -0.780 1.00 0.00 N ATOM 0 H LYS A 57 -6.890 6.373 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.042 8.161 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.491 8.193 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.554 8.739 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.615 6.763 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.540 6.165 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.065 4.606 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.874 5.812 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.991 6.678 -1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.351 4.964 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.875 5.725 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.280 4.428 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.661 5.991 -1.003 1.00 0.00 H new ATOM 795 N ASP A 58 -6.821 10.302 -5.452 1.00 0.00 N ATOM 796 CA ASP A 58 -5.769 11.314 -5.439 1.00 0.00 C ATOM 797 C ASP A 58 -5.609 11.945 -4.066 1.00 0.00 C ATOM 798 O ASP A 58 -4.514 12.098 -3.522 1.00 0.00 O ATOM 799 CB ASP A 58 -6.079 12.395 -6.466 1.00 0.00 C ATOM 800 CG ASP A 58 -4.813 13.184 -6.754 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.917 12.600 -7.406 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.731 14.329 -6.274 1.00 0.00 O ATOM 0 H ASP A 58 -7.615 10.544 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.831 10.819 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.458 11.945 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.858 13.058 -6.091 1.00 0.00 H new ATOM 806 N ALA A 59 -6.756 12.275 -3.487 1.00 0.00 N ATOM 807 CA ALA A 59 -6.807 12.731 -2.113 1.00 0.00 C ATOM 808 C ALA A 59 -6.180 11.701 -1.178 1.00 0.00 C ATOM 809 O ALA A 59 -5.351 12.060 -0.342 1.00 0.00 O ATOM 810 CB ALA A 59 -8.247 13.063 -1.715 1.00 0.00 C ATOM 0 H ALA A 59 -7.663 12.234 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.221 13.646 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.269 13.404 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.632 13.849 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.867 12.172 -1.817 1.00 0.00 H new ATOM 816 N THR A 60 -6.550 10.420 -1.307 1.00 0.00 N ATOM 817 CA THR A 60 -6.035 9.448 -0.356 1.00 0.00 C ATOM 818 C THR A 60 -4.558 9.147 -0.595 1.00 0.00 C ATOM 819 O THR A 60 -3.825 8.973 0.362 1.00 0.00 O ATOM 820 CB THR A 60 -6.905 8.197 -0.294 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.872 7.463 -1.503 1.00 0.00 O ATOM 822 CG2 THR A 60 -8.354 8.588 0.018 1.00 0.00 C ATOM 0 H THR A 60 -7.173 10.052 -2.026 1.00 0.00 H new ATOM 0 HA THR A 60 -6.091 9.897 0.635 1.00 0.00 H new ATOM 0 HB THR A 60 -6.504 7.562 0.496 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.567 8.044 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.972 7.691 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.393 9.102 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.729 9.249 -0.763 1.00 0.00 H new ATOM 830 N LYS A 61 -4.110 9.117 -1.851 1.00 0.00 N ATOM 831 CA LYS A 61 -2.714 9.064 -2.246 1.00 0.00 C ATOM 832 C LYS A 61 -1.957 10.141 -1.498 1.00 0.00 C ATOM 833 O LYS A 61 -1.021 9.850 -0.766 1.00 0.00 O ATOM 834 CB LYS A 61 -2.720 9.331 -3.751 1.00 0.00 C ATOM 835 CG LYS A 61 -1.457 9.802 -4.483 1.00 0.00 C ATOM 836 CD LYS A 61 -2.014 10.519 -5.722 1.00 0.00 C ATOM 837 CE LYS A 61 -0.974 10.925 -6.769 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.629 11.598 -7.911 1.00 0.00 N ATOM 0 H LYS A 61 -4.743 9.130 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.234 8.112 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.043 8.410 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.492 10.077 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.860 10.472 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.815 8.965 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.749 9.869 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.544 11.414 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.237 11.591 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.436 10.043 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.158 12.507 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.560 10.995 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.631 11.766 -7.687 1.00 0.00 H new ATOM 848 N SER A 62 -2.383 11.390 -1.685 1.00 0.00 N ATOM 849 CA SER A 62 -1.707 12.516 -1.057 1.00 0.00 C ATOM 850 C SER A 62 -1.626 12.324 0.459 1.00 0.00 C ATOM 851 O SER A 62 -0.542 12.384 1.040 1.00 0.00 O ATOM 852 CB SER A 62 -2.406 13.821 -1.447 1.00 0.00 C ATOM 853 OG SER A 62 -2.502 13.910 -2.857 1.00 0.00 O ATOM 0 H SER A 62 -3.186 11.643 -2.261 1.00 0.00 H new ATOM 0 HA SER A 62 -0.680 12.571 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.400 13.859 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.850 14.673 -1.057 1.00 0.00 H new ATOM 0 HG SER A 62 -3.247 13.356 -3.170 1.00 0.00 H new ATOM 858 N TYR A 63 -2.770 12.044 1.089 1.00 0.00 N ATOM 859 CA TYR A 63 -2.842 11.757 2.515 1.00 0.00 C ATOM 860 C TYR A 63 -1.879 10.640 2.908 1.00 0.00 C ATOM 861 O TYR A 63 -1.249 10.696 3.962 1.00 0.00 O ATOM 862 CB TYR A 63 -4.273 11.347 2.889 1.00 0.00 C ATOM 863 CG TYR A 63 -4.457 11.034 4.364 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.991 11.946 5.330 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.862 9.746 4.768 1.00 0.00 C ATOM 866 CE1 TYR A 63 -3.782 11.527 6.655 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.620 9.317 6.084 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.047 10.197 7.016 1.00 0.00 C ATOM 869 OH TYR A 63 -3.683 9.736 8.246 1.00 0.00 O ATOM 0 H TYR A 63 -3.674 12.011 0.618 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.558 12.661 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.955 12.150 2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.555 10.472 2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.794 12.971 5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.357 9.090 4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.419 12.226 7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.875 8.310 6.379 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.941 8.795 8.332 1.00 0.00 H new ATOM 878 N CYS A 64 -1.828 9.599 2.080 1.00 0.00 N ATOM 879 CA CYS A 64 -1.171 8.333 2.367 1.00 0.00 C ATOM 880 C CYS A 64 0.136 8.154 1.605 1.00 0.00 C ATOM 881 O CYS A 64 0.507 7.011 1.367 1.00 0.00 O ATOM 882 CB CYS A 64 -2.113 7.157 2.068 1.00 0.00 C ATOM 883 SG CYS A 64 -3.602 7.051 3.079 1.00 0.00 S ATOM 0 H CYS A 64 -2.261 9.618 1.157 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.925 8.348 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.413 7.216 1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.552 6.230 2.187 1.00 0.00 H new ATOM 887 N ASP A 65 0.864 9.220 1.263 1.00 0.00 N ATOM 888 CA ASP A 65 2.222 9.099 0.725 1.00 0.00 C ATOM 889 C ASP A 65 3.219 9.915 1.547 1.00 0.00 C ATOM 890 O ASP A 65 4.218 9.393 2.039 1.00 0.00 O ATOM 891 CB ASP A 65 2.241 9.517 -0.743 1.00 0.00 C ATOM 892 CG ASP A 65 3.582 9.171 -1.371 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.823 7.954 -1.551 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.340 10.117 -1.661 1.00 0.00 O ATOM 0 H ASP A 65 0.534 10.181 1.350 1.00 0.00 H new ATOM 0 HA ASP A 65 2.529 8.055 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.438 9.014 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.058 10.588 -0.826 1.00 0.00 H new ATOM 898 N VAL A 66 2.901 11.198 1.746 1.00 0.00 N ATOM 899 CA VAL A 66 3.730 12.154 2.479 1.00 0.00 C ATOM 900 C VAL A 66 4.126 11.627 3.868 1.00 0.00 C ATOM 901 O VAL A 66 5.215 11.927 4.354 1.00 0.00 O ATOM 902 CB VAL A 66 2.999 13.509 2.560 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.819 14.550 3.337 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.721 14.069 1.156 1.00 0.00 C ATOM 0 H VAL A 66 2.037 11.609 1.392 1.00 0.00 H new ATOM 0 HA VAL A 66 4.665 12.294 1.936 1.00 0.00 H new ATOM 0 HB VAL A 66 2.060 13.324 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.271 15.492 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.993 14.193 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.776 14.705 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.205 15.025 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.664 14.212 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.097 13.368 0.602 1.00 0.00 H new ATOM 914 N GLN A 67 3.240 10.828 4.469 1.00 0.00 N ATOM 915 CA GLN A 67 3.317 10.121 5.736 1.00 0.00 C ATOM 916 C GLN A 67 4.746 9.927 6.237 1.00 0.00 C ATOM 917 O GLN A 67 5.161 10.529 7.223 1.00 0.00 O ATOM 918 CB GLN A 67 2.633 8.770 5.477 1.00 0.00 C ATOM 919 CG GLN A 67 1.109 8.911 5.418 1.00 0.00 C ATOM 920 CD GLN A 67 0.432 9.185 6.718 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.890 8.840 7.802 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.771 9.690 6.548 1.00 0.00 N ATOM 0 H GLN A 67 2.344 10.644 4.017 1.00 0.00 H new ATOM 0 HA GLN A 67 2.832 10.697 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.997 8.352 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.904 8.068 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.864 9.716 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.694 7.994 5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.086 9.955 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.389 9.816 7.350 1.00 0.00 H new ATOM 929 N ILE A 68 5.480 9.051 5.555 1.00 0.00 N ATOM 930 CA ILE A 68 6.825 8.646 5.928 1.00 0.00 C ATOM 931 C ILE A 68 7.871 9.567 5.287 1.00 0.00 C ATOM 932 O ILE A 68 9.014 9.608 5.736 1.00 0.00 O ATOM 933 CB ILE A 68 6.967 7.148 5.592 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.188 6.368 6.668 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.424 6.689 5.516 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.140 4.849 6.460 1.00 0.00 C ATOM 0 H ILE A 68 5.144 8.594 4.707 1.00 0.00 H new ATOM 0 HA ILE A 68 7.006 8.757 6.997 1.00 0.00 H new ATOM 0 HB ILE A 68 6.560 6.959 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.637 6.573 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.167 6.747 6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.459 5.626 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.943 7.253 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.910 6.860 6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.570 4.389 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.661 4.627 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.154 4.450 6.458 1.00 0.00 H new ATOM 947 N ILE A 69 7.489 10.338 4.266 1.00 0.00 N ATOM 948 CA ILE A 69 8.354 11.327 3.645 1.00 0.00 C ATOM 949 C ILE A 69 8.300 12.588 4.507 1.00 0.00 C ATOM 950 O ILE A 69 9.322 13.223 4.762 1.00 0.00 O ATOM 951 CB ILE A 69 7.901 11.596 2.197 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.784 10.275 1.409 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.883 12.556 1.507 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.280 10.469 -0.023 1.00 0.00 C ATOM 0 H ILE A 69 6.560 10.288 3.848 1.00 0.00 H new ATOM 0 HA ILE A 69 9.383 10.972 3.588 1.00 0.00 H new ATOM 0 HB ILE A 69 6.916 12.063 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.759 9.789 1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.108 9.603 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.554 12.740 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.914 13.499 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.878 12.111 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.221 9.502 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.291 10.928 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.969 11.116 -0.567 1.00 0.00 H new TER 965 ILE A 69