USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 170:sc= 0.789 (180deg=-0.0419) USER MOD Set 1.2: A 60 THR OG1 : rot -137:sc= 0.972 USER MOD Set 2.1: A 31 TYR OH : rot 164:sc= 0.939 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -172:sc= 0.758 (180deg=0.864) USER MOD Set 3.1: A 3 ASN : amide:sc= 0.544 K(o=1.8,f=-1.9!) USER MOD Set 3.2: A 43 TYR OH : rot 158:sc= 1.23 USER MOD Set 4.1: A 5 TYR OH : rot 20:sc= 1.98 USER MOD Set 4.2: A 41 SER OG : rot 136:sc= 1.52 USER MOD Set 5.1: A 10 SER OG : rot 130:sc= 0.821 USER MOD Set 5.2: A 12 LYS NZ :NH3+ 177:sc= 0.796 (180deg=-0.281) USER MOD Single : A 1 LYS N :NH3+ 145:sc= 0.796 (180deg=-1.99!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0.896 (180deg=0.823) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.298 K(o=0.3,f=-5.2!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.312 X(o=0.31,f=-0.023) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 170:sc= 0 USER MOD Single : A 36 TYR OH : rot -66:sc= 0.846 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.12) USER MOD Single : A 61 LYS NZ :NH3+ -104:sc= 1.27 (180deg=-0.388) 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= 1.22 K(o=1.2,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.631 -0.669 -10.283 1.00 0.00 N ATOM 2 CA LYS A 1 8.708 -0.629 -8.835 1.00 0.00 C ATOM 3 C LYS A 1 8.449 0.790 -8.337 1.00 0.00 C ATOM 4 O LYS A 1 9.199 1.714 -8.651 1.00 0.00 O ATOM 5 CB LYS A 1 10.036 -1.214 -8.342 1.00 0.00 C ATOM 6 CG LYS A 1 11.286 -0.560 -8.949 1.00 0.00 C ATOM 7 CD LYS A 1 12.546 -1.386 -8.648 1.00 0.00 C ATOM 8 CE LYS A 1 12.756 -1.591 -7.139 1.00 0.00 C ATOM 9 NZ LYS A 1 14.002 -2.323 -6.846 1.00 0.00 N ATOM 0 H1 LYS A 1 9.323 -1.354 -10.649 1.00 0.00 H new ATOM 0 H2 LYS A 1 7.674 -0.956 -10.572 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.840 0.274 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 1 7.927 -1.260 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 1 10.081 -1.116 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.054 -2.280 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 1 11.161 -0.462 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.404 0.447 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.468 -2.357 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 1 13.417 -0.885 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 1 12.781 -0.621 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.909 -2.139 -6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 14.103 -2.439 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 13.969 -3.259 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 14.814 -1.788 -7.216 1.00 0.00 H new ATOM 19 N LYS A 2 7.359 0.975 -7.590 1.00 0.00 N ATOM 20 CA LYS A 2 6.796 2.288 -7.317 1.00 0.00 C ATOM 21 C LYS A 2 6.279 2.287 -5.886 1.00 0.00 C ATOM 22 O LYS A 2 6.701 1.439 -5.105 1.00 0.00 O ATOM 23 CB LYS A 2 5.702 2.534 -8.364 1.00 0.00 C ATOM 24 CG LYS A 2 4.748 1.332 -8.552 1.00 0.00 C ATOM 25 CD LYS A 2 3.339 1.593 -8.045 1.00 0.00 C ATOM 26 CE LYS A 2 2.601 2.616 -8.922 1.00 0.00 C ATOM 27 NZ LYS A 2 1.591 3.360 -8.145 1.00 0.00 N ATOM 0 H LYS A 2 6.843 0.209 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 2 7.522 3.098 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.120 3.408 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.171 2.769 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.703 1.075 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.159 0.467 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.779 0.658 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.383 1.958 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.319 3.314 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.118 2.103 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.052 3.982 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.943 2.689 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.065 3.935 -7.419 1.00 0.00 H new ATOM 37 N ASN A 3 5.356 3.183 -5.528 1.00 0.00 N ATOM 38 CA ASN A 3 4.545 3.098 -4.339 1.00 0.00 C ATOM 39 C ASN A 3 3.078 3.210 -4.742 1.00 0.00 C ATOM 40 O ASN A 3 2.738 3.810 -5.766 1.00 0.00 O ATOM 41 CB ASN A 3 4.960 4.190 -3.374 1.00 0.00 C ATOM 42 CG ASN A 3 4.784 5.621 -3.844 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.580 5.908 -5.020 1.00 0.00 O ATOM 44 ND2 ASN A 3 4.883 6.506 -2.865 1.00 0.00 N ATOM 0 H ASN A 3 5.156 4.012 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 3 4.685 2.143 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.392 4.063 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.010 4.041 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.788 7.502 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.054 6.193 -1.909 1.00 0.00 H new ATOM 50 N GLY A 4 2.216 2.495 -4.031 1.00 0.00 N ATOM 51 CA GLY A 4 0.926 2.102 -4.580 1.00 0.00 C ATOM 52 C GLY A 4 0.141 1.250 -3.598 1.00 0.00 C ATOM 53 O GLY A 4 0.671 0.848 -2.560 1.00 0.00 O ATOM 0 H GLY A 4 2.386 2.177 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.350 2.992 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.077 1.547 -5.506 1.00 0.00 H new ATOM 57 N TYR A 5 -1.118 0.973 -3.955 1.00 0.00 N ATOM 58 CA TYR A 5 -1.968 0.042 -3.237 1.00 0.00 C ATOM 59 C TYR A 5 -1.703 -1.381 -3.707 1.00 0.00 C ATOM 60 O TYR A 5 -2.109 -1.736 -4.812 1.00 0.00 O ATOM 61 CB TYR A 5 -3.450 0.388 -3.412 1.00 0.00 C ATOM 62 CG TYR A 5 -4.098 1.520 -2.630 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.469 2.167 -1.553 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.455 1.788 -2.883 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.156 3.152 -0.818 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.161 2.714 -2.108 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.519 3.397 -1.067 1.00 0.00 C ATOM 68 OH TYR A 5 -6.302 3.935 -0.093 1.00 0.00 O ATOM 0 H TYR A 5 -1.573 1.399 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.728 0.120 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.602 0.605 -4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.015 -0.517 -3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.455 1.908 -1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.959 1.272 -3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.636 3.721 -0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.204 2.903 -2.313 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.737 4.382 0.571 1.00 0.00 H new ATOM 77 N ALA A 6 -1.055 -2.195 -2.872 1.00 0.00 N ATOM 78 CA ALA A 6 -0.751 -3.576 -3.231 1.00 0.00 C ATOM 79 C ALA A 6 -1.953 -4.466 -2.926 1.00 0.00 C ATOM 80 O ALA A 6 -2.575 -4.305 -1.877 1.00 0.00 O ATOM 81 CB ALA A 6 0.479 -4.058 -2.465 1.00 0.00 C ATOM 0 H ALA A 6 -0.732 -1.920 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.537 -3.630 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.698 -5.090 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.333 -3.428 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.286 -4.001 -1.394 1.00 0.00 H new ATOM 87 N VAL A 7 -2.280 -5.399 -3.826 1.00 0.00 N ATOM 88 CA VAL A 7 -3.368 -6.347 -3.644 1.00 0.00 C ATOM 89 C VAL A 7 -2.960 -7.702 -4.212 1.00 0.00 C ATOM 90 O VAL A 7 -2.178 -7.758 -5.159 1.00 0.00 O ATOM 91 CB VAL A 7 -4.661 -5.846 -4.323 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.133 -4.559 -3.637 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.468 -5.623 -5.834 1.00 0.00 C ATOM 0 H VAL A 7 -1.786 -5.513 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.571 -6.447 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.425 -6.616 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.046 -4.205 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.330 -4.759 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.359 -3.796 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.402 -5.271 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.688 -4.879 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.177 -6.561 -6.306 1.00 0.00 H new ATOM 103 N ASP A 8 -3.551 -8.751 -3.631 1.00 0.00 N ATOM 104 CA ASP A 8 -3.671 -10.119 -4.121 1.00 0.00 C ATOM 105 C ASP A 8 -3.252 -10.288 -5.582 1.00 0.00 C ATOM 106 O ASP A 8 -2.209 -10.850 -5.907 1.00 0.00 O ATOM 107 CB ASP A 8 -5.161 -10.456 -3.930 1.00 0.00 C ATOM 108 CG ASP A 8 -5.643 -11.755 -4.545 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.737 -12.773 -3.831 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.238 -11.657 -5.634 1.00 0.00 O ATOM 0 H ASP A 8 -3.998 -8.649 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.001 -10.786 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.370 -10.486 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.752 -9.641 -4.347 1.00 0.00 H new ATOM 114 N SER A 9 -4.159 -9.833 -6.436 1.00 0.00 N ATOM 115 CA SER A 9 -4.303 -10.054 -7.857 1.00 0.00 C ATOM 116 C SER A 9 -5.644 -9.416 -8.226 1.00 0.00 C ATOM 117 O SER A 9 -5.732 -8.637 -9.169 1.00 0.00 O ATOM 118 CB SER A 9 -4.318 -11.559 -8.159 1.00 0.00 C ATOM 119 OG SER A 9 -3.986 -11.805 -9.511 1.00 0.00 O ATOM 0 H SER A 9 -4.903 -9.223 -6.098 1.00 0.00 H new ATOM 0 HA SER A 9 -3.480 -9.624 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.611 -12.072 -7.507 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.305 -11.968 -7.942 1.00 0.00 H new ATOM 0 HG SER A 9 -4.000 -12.770 -9.681 1.00 0.00 H new ATOM 124 N SER A 10 -6.683 -9.719 -7.432 1.00 0.00 N ATOM 125 CA SER A 10 -8.022 -9.196 -7.642 1.00 0.00 C ATOM 126 C SER A 10 -8.163 -7.833 -6.963 1.00 0.00 C ATOM 127 O SER A 10 -8.570 -6.867 -7.601 1.00 0.00 O ATOM 128 CB SER A 10 -9.056 -10.220 -7.156 1.00 0.00 C ATOM 129 OG SER A 10 -8.921 -10.499 -5.772 1.00 0.00 O ATOM 0 H SER A 10 -6.607 -10.338 -6.625 1.00 0.00 H new ATOM 0 HA SER A 10 -8.205 -9.036 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.059 -9.843 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.945 -11.144 -7.724 1.00 0.00 H new ATOM 0 HG SER A 10 -9.794 -10.417 -5.335 1.00 0.00 H new ATOM 134 N GLY A 11 -7.835 -7.761 -5.666 1.00 0.00 N ATOM 135 CA GLY A 11 -7.890 -6.525 -4.909 1.00 0.00 C ATOM 136 C GLY A 11 -8.218 -6.661 -3.418 1.00 0.00 C ATOM 137 O GLY A 11 -8.881 -5.787 -2.863 1.00 0.00 O ATOM 0 H GLY A 11 -7.525 -8.565 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.928 -6.022 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.636 -5.875 -5.367 1.00 0.00 H new ATOM 141 N LYS A 12 -7.771 -7.729 -2.745 1.00 0.00 N ATOM 142 CA LYS A 12 -7.998 -7.848 -1.308 1.00 0.00 C ATOM 143 C LYS A 12 -7.021 -6.917 -0.581 1.00 0.00 C ATOM 144 O LYS A 12 -5.916 -7.331 -0.238 1.00 0.00 O ATOM 145 CB LYS A 12 -7.863 -9.302 -0.822 1.00 0.00 C ATOM 146 CG LYS A 12 -8.853 -10.293 -1.466 1.00 0.00 C ATOM 147 CD LYS A 12 -8.164 -11.077 -2.589 1.00 0.00 C ATOM 148 CE LYS A 12 -9.030 -12.166 -3.235 1.00 0.00 C ATOM 149 NZ LYS A 12 -8.328 -12.761 -4.395 1.00 0.00 N ATOM 0 H LYS A 12 -7.261 -8.506 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.022 -7.550 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.847 -9.644 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.001 -9.323 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.232 -10.982 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.712 -9.753 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.849 -10.376 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.261 -11.539 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.258 -12.941 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.981 -11.741 -3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.904 -13.531 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.178 -12.032 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.409 -13.139 -4.088 1.00 0.00 H new ATOM 159 N VAL A 13 -7.405 -5.654 -0.383 1.00 0.00 N ATOM 160 CA VAL A 13 -6.575 -4.689 0.328 1.00 0.00 C ATOM 161 C VAL A 13 -6.403 -5.099 1.799 1.00 0.00 C ATOM 162 O VAL A 13 -7.373 -5.311 2.525 1.00 0.00 O ATOM 163 CB VAL A 13 -7.116 -3.254 0.186 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.170 -2.815 -1.280 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.488 -3.060 0.837 1.00 0.00 C ATOM 0 H VAL A 13 -8.295 -5.277 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.587 -4.693 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.408 -2.622 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.557 -1.798 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.168 -2.849 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.824 -3.486 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.812 -2.028 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.210 -3.731 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.420 -3.282 1.902 1.00 0.00 H new ATOM 175 N SER A 14 -5.155 -5.197 2.246 1.00 0.00 N ATOM 176 CA SER A 14 -4.806 -5.688 3.571 1.00 0.00 C ATOM 177 C SER A 14 -4.941 -4.579 4.618 1.00 0.00 C ATOM 178 O SER A 14 -3.946 -4.188 5.218 1.00 0.00 O ATOM 179 CB SER A 14 -3.374 -6.237 3.522 1.00 0.00 C ATOM 180 OG SER A 14 -3.214 -7.072 2.390 1.00 0.00 O ATOM 0 H SER A 14 -4.345 -4.932 1.686 1.00 0.00 H new ATOM 0 HA SER A 14 -5.491 -6.484 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.661 -5.413 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.160 -6.798 4.431 1.00 0.00 H new ATOM 0 HG SER A 14 -2.297 -7.417 2.365 1.00 0.00 H new ATOM 185 N GLU A 15 -6.151 -4.046 4.820 1.00 0.00 N ATOM 186 CA GLU A 15 -6.358 -2.968 5.784 1.00 0.00 C ATOM 187 C GLU A 15 -6.116 -3.437 7.223 1.00 0.00 C ATOM 188 O GLU A 15 -5.820 -4.606 7.466 1.00 0.00 O ATOM 189 CB GLU A 15 -7.763 -2.377 5.629 1.00 0.00 C ATOM 190 CG GLU A 15 -7.838 -0.872 5.912 1.00 0.00 C ATOM 191 CD GLU A 15 -8.827 -0.570 7.024 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.500 -0.986 8.155 1.00 0.00 O ATOM 193 OE2 GLU A 15 -9.884 0.016 6.713 1.00 0.00 O ATOM 0 H GLU A 15 -6.995 -4.344 4.331 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.626 -2.188 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.115 -2.564 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.442 -2.898 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.851 -0.502 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.133 -0.343 5.006 1.00 0.00 H new ATOM 198 N CYS A 16 -6.281 -2.502 8.163 1.00 0.00 N ATOM 199 CA CYS A 16 -6.000 -2.605 9.598 1.00 0.00 C ATOM 200 C CYS A 16 -5.939 -1.219 10.250 1.00 0.00 C ATOM 201 O CYS A 16 -5.879 -0.198 9.574 1.00 0.00 O ATOM 202 CB CYS A 16 -4.655 -3.287 9.905 1.00 0.00 C ATOM 203 SG CYS A 16 -3.194 -2.221 9.787 1.00 0.00 S ATOM 0 H CYS A 16 -6.643 -1.580 7.921 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.817 -3.206 9.998 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.700 -3.702 10.912 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.528 -4.125 9.220 1.00 0.00 H new ATOM 207 N LEU A 17 -5.830 -1.194 11.585 1.00 0.00 N ATOM 208 CA LEU A 17 -5.400 -0.026 12.334 1.00 0.00 C ATOM 209 C LEU A 17 -3.874 -0.022 12.530 1.00 0.00 C ATOM 210 O LEU A 17 -3.224 0.997 12.300 1.00 0.00 O ATOM 211 CB LEU A 17 -6.160 0.075 13.667 1.00 0.00 C ATOM 212 CG LEU A 17 -6.346 -1.243 14.444 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.239 -0.985 15.950 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.710 -1.881 14.143 1.00 0.00 C ATOM 0 H LEU A 17 -6.043 -1.999 12.174 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.644 0.865 11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.633 0.780 14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.145 0.498 13.469 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.560 -1.928 14.125 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.372 -1.922 16.490 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.257 -0.570 16.179 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.011 -0.279 16.254 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.810 -2.809 14.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.505 -1.194 14.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.785 -2.094 13.077 1.00 0.00 H new ATOM 225 N LEU A 18 -3.275 -1.139 12.970 1.00 0.00 N ATOM 226 CA LEU A 18 -1.858 -1.200 13.312 1.00 0.00 C ATOM 227 C LEU A 18 -0.976 -1.267 12.057 1.00 0.00 C ATOM 228 O LEU A 18 -0.410 -2.310 11.735 1.00 0.00 O ATOM 229 CB LEU A 18 -1.608 -2.349 14.299 1.00 0.00 C ATOM 230 CG LEU A 18 -2.179 -3.705 13.835 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.077 -4.758 13.807 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.284 -4.189 14.779 1.00 0.00 C ATOM 0 H LEU A 18 -3.766 -2.024 13.097 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.570 -0.277 13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.534 -2.453 14.457 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.048 -2.090 15.262 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.592 -3.563 12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.492 -5.711 13.478 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.293 -4.446 13.117 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.657 -4.871 14.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.669 -5.147 14.428 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.878 -4.307 15.784 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.093 -3.458 14.798 1.00 0.00 H new ATOM 243 N ASN A 19 -0.870 -0.127 11.368 1.00 0.00 N ATOM 244 CA ASN A 19 -0.059 0.159 10.184 1.00 0.00 C ATOM 245 C ASN A 19 1.081 -0.827 9.876 1.00 0.00 C ATOM 246 O ASN A 19 1.172 -1.316 8.750 1.00 0.00 O ATOM 247 CB ASN A 19 0.458 1.607 10.232 1.00 0.00 C ATOM 248 CG ASN A 19 1.365 1.940 11.415 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.578 1.137 12.320 1.00 0.00 O ATOM 250 ND2 ASN A 19 1.907 3.152 11.418 1.00 0.00 N ATOM 0 H ASN A 19 -1.401 0.696 11.654 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.743 0.022 9.347 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.002 1.811 9.310 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.399 2.280 10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.517 3.436 12.185 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.713 3.799 10.654 1.00 0.00 H new ATOM 256 N ASN A 20 1.955 -1.104 10.847 1.00 0.00 N ATOM 257 CA ASN A 20 3.076 -2.033 10.724 1.00 0.00 C ATOM 258 C ASN A 20 2.693 -3.334 10.010 1.00 0.00 C ATOM 259 O ASN A 20 3.471 -3.836 9.201 1.00 0.00 O ATOM 260 CB ASN A 20 3.647 -2.346 12.108 1.00 0.00 C ATOM 261 CG ASN A 20 4.814 -3.324 12.000 1.00 0.00 C ATOM 262 OD1 ASN A 20 4.652 -4.521 12.209 1.00 0.00 O ATOM 263 ND2 ASN A 20 6.001 -2.826 11.664 1.00 0.00 N ATOM 0 H ASN A 20 1.898 -0.673 11.770 1.00 0.00 H new ATOM 0 HA ASN A 20 3.832 -1.543 10.110 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.981 -1.425 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.868 -2.770 12.741 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.807 -3.445 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.105 -1.825 11.496 1.00 0.00 H new ATOM 269 N TYR A 21 1.499 -3.865 10.292 1.00 0.00 N ATOM 270 CA TYR A 21 0.960 -5.035 9.611 1.00 0.00 C ATOM 271 C TYR A 21 1.097 -4.901 8.091 1.00 0.00 C ATOM 272 O TYR A 21 1.640 -5.787 7.433 1.00 0.00 O ATOM 273 CB TYR A 21 -0.510 -5.213 10.012 1.00 0.00 C ATOM 274 CG TYR A 21 -1.280 -6.204 9.163 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.042 -7.584 9.296 1.00 0.00 C ATOM 276 CD2 TYR A 21 -2.213 -5.745 8.213 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.743 -8.502 8.493 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.932 -6.664 7.434 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.689 -8.039 7.562 1.00 0.00 C ATOM 280 OH TYR A 21 -3.349 -8.918 6.756 1.00 0.00 O ATOM 0 H TYR A 21 0.878 -3.487 11.007 1.00 0.00 H new ATOM 0 HA TYR A 21 1.528 -5.916 9.911 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.553 -5.536 11.052 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.007 -4.245 9.958 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.320 -7.939 10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.375 -4.685 8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.555 -9.561 8.592 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.675 -6.311 6.734 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.967 -8.428 6.174 1.00 0.00 H new ATOM 289 N CYS A 22 0.607 -3.788 7.538 1.00 0.00 N ATOM 290 CA CYS A 22 0.625 -3.554 6.102 1.00 0.00 C ATOM 291 C CYS A 22 2.055 -3.618 5.613 1.00 0.00 C ATOM 292 O CYS A 22 2.358 -4.370 4.697 1.00 0.00 O ATOM 293 CB CYS A 22 0.016 -2.190 5.765 1.00 0.00 C ATOM 294 SG CYS A 22 -1.556 -2.298 4.911 1.00 0.00 S ATOM 0 H CYS A 22 0.189 -3.029 8.076 1.00 0.00 H new ATOM 0 HA CYS A 22 0.028 -4.321 5.608 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.119 -1.624 6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.718 -1.631 5.147 1.00 0.00 H new ATOM 298 N ASN A 23 2.933 -2.837 6.245 1.00 0.00 N ATOM 299 CA ASN A 23 4.351 -2.801 5.968 1.00 0.00 C ATOM 300 C ASN A 23 4.928 -4.214 5.874 1.00 0.00 C ATOM 301 O ASN A 23 5.490 -4.594 4.848 1.00 0.00 O ATOM 302 CB ASN A 23 4.994 -2.019 7.122 1.00 0.00 C ATOM 303 CG ASN A 23 6.204 -1.229 6.692 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.293 -1.765 6.536 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.018 0.077 6.552 1.00 0.00 N ATOM 0 H ASN A 23 2.657 -2.194 6.987 1.00 0.00 H new ATOM 0 HA ASN A 23 4.552 -2.323 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.256 -1.340 7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.282 -2.715 7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.802 0.680 6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.091 0.478 6.692 1.00 0.00 H new ATOM 311 N ASN A 24 4.757 -4.997 6.944 1.00 0.00 N ATOM 312 CA ASN A 24 5.244 -6.348 7.075 1.00 0.00 C ATOM 313 C ASN A 24 4.824 -7.224 5.899 1.00 0.00 C ATOM 314 O ASN A 24 5.664 -7.805 5.211 1.00 0.00 O ATOM 315 CB ASN A 24 4.698 -6.909 8.391 1.00 0.00 C ATOM 316 CG ASN A 24 5.598 -8.030 8.846 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.326 -9.209 8.640 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.711 -7.632 9.447 1.00 0.00 N ATOM 0 H ASN A 24 4.251 -4.680 7.771 1.00 0.00 H new ATOM 0 HA ASN A 24 6.334 -6.344 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.657 -6.126 9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.680 -7.273 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.393 -8.320 9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.885 -6.637 9.592 1.00 0.00 H new ATOM 324 N ILE A 25 3.516 -7.306 5.652 1.00 0.00 N ATOM 325 CA ILE A 25 2.967 -8.060 4.541 1.00 0.00 C ATOM 326 C ILE A 25 3.597 -7.576 3.244 1.00 0.00 C ATOM 327 O ILE A 25 3.903 -8.368 2.353 1.00 0.00 O ATOM 328 CB ILE A 25 1.442 -7.861 4.529 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.805 -8.401 5.817 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.782 -8.464 3.286 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.655 -9.925 5.866 1.00 0.00 C ATOM 0 H ILE A 25 2.809 -6.846 6.225 1.00 0.00 H new ATOM 0 HA ILE A 25 3.186 -9.123 4.645 1.00 0.00 H new ATOM 0 HB ILE A 25 1.263 -6.787 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.408 -8.081 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.179 -7.948 5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.294 -8.296 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.189 -7.991 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.981 -9.535 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.196 -10.215 6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.025 -10.255 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.637 -10.390 5.781 1.00 0.00 H new ATOM 342 N CYS A 26 3.762 -6.260 3.128 1.00 0.00 N ATOM 343 CA CYS A 26 4.109 -5.679 1.850 1.00 0.00 C ATOM 344 C CYS A 26 5.533 -5.970 1.422 1.00 0.00 C ATOM 345 O CYS A 26 5.768 -6.331 0.268 1.00 0.00 O ATOM 346 CB CYS A 26 3.728 -4.212 1.693 1.00 0.00 C ATOM 347 SG CYS A 26 3.081 -4.042 0.013 1.00 0.00 S ATOM 0 H CYS A 26 3.662 -5.593 3.893 1.00 0.00 H new ATOM 0 HA CYS A 26 3.469 -6.204 1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.980 -3.922 2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.593 -3.566 1.845 1.00 0.00 H new ATOM 351 N THR A 27 6.480 -5.870 2.357 1.00 0.00 N ATOM 352 CA THR A 27 7.814 -6.401 2.109 1.00 0.00 C ATOM 353 C THR A 27 7.716 -7.904 1.839 1.00 0.00 C ATOM 354 O THR A 27 8.328 -8.390 0.892 1.00 0.00 O ATOM 355 CB THR A 27 8.826 -6.034 3.211 1.00 0.00 C ATOM 356 OG1 THR A 27 10.121 -6.499 2.882 1.00 0.00 O ATOM 357 CG2 THR A 27 8.440 -6.549 4.590 1.00 0.00 C ATOM 0 H THR A 27 6.350 -5.436 3.271 1.00 0.00 H new ATOM 0 HA THR A 27 8.220 -5.924 1.217 1.00 0.00 H new ATOM 0 HB THR A 27 8.820 -4.945 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.747 -6.254 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.199 -6.253 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.477 -6.127 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.367 -7.636 4.565 1.00 0.00 H new ATOM 365 N LYS A 28 6.946 -8.639 2.651 1.00 0.00 N ATOM 366 CA LYS A 28 6.919 -10.093 2.579 1.00 0.00 C ATOM 367 C LYS A 28 6.525 -10.590 1.183 1.00 0.00 C ATOM 368 O LYS A 28 7.101 -11.563 0.703 1.00 0.00 O ATOM 369 CB LYS A 28 6.007 -10.638 3.687 1.00 0.00 C ATOM 370 CG LYS A 28 6.169 -12.145 3.918 1.00 0.00 C ATOM 371 CD LYS A 28 5.362 -12.538 5.165 1.00 0.00 C ATOM 372 CE LYS A 28 5.560 -14.021 5.506 1.00 0.00 C ATOM 373 NZ LYS A 28 4.856 -14.396 6.750 1.00 0.00 N ATOM 0 H LYS A 28 6.334 -8.243 3.365 1.00 0.00 H new ATOM 0 HA LYS A 28 7.924 -10.479 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.220 -10.110 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.969 -10.426 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.818 -12.701 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.221 -12.396 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.670 -11.923 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.304 -12.339 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.196 -14.635 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.624 -14.231 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.013 -15.405 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.221 -13.828 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.837 -14.220 6.639 1.00 0.00 H new ATOM 383 N VAL A 29 5.532 -9.958 0.549 1.00 0.00 N ATOM 384 CA VAL A 29 4.929 -10.412 -0.674 1.00 0.00 C ATOM 385 C VAL A 29 5.407 -9.583 -1.876 1.00 0.00 C ATOM 386 O VAL A 29 5.757 -10.145 -2.912 1.00 0.00 O ATOM 387 CB VAL A 29 3.417 -10.340 -0.430 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.671 -10.612 -1.718 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.973 -11.349 0.638 1.00 0.00 C ATOM 0 H VAL A 29 5.124 -9.090 0.897 1.00 0.00 H new ATOM 0 HA VAL A 29 5.217 -11.431 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 29 3.186 -9.336 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.598 -10.559 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.949 -9.867 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.928 -11.606 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.896 -11.271 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.222 -12.358 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.485 -11.135 1.576 1.00 0.00 H new ATOM 399 N TYR A 30 5.373 -8.251 -1.772 1.00 0.00 N ATOM 400 CA TYR A 30 5.576 -7.334 -2.873 1.00 0.00 C ATOM 401 C TYR A 30 6.924 -6.614 -2.787 1.00 0.00 C ATOM 402 O TYR A 30 7.206 -5.774 -3.637 1.00 0.00 O ATOM 403 CB TYR A 30 4.434 -6.320 -2.827 1.00 0.00 C ATOM 404 CG TYR A 30 3.033 -6.900 -2.787 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.324 -7.215 -3.962 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.433 -7.128 -1.540 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.037 -7.778 -3.873 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.142 -7.660 -1.447 1.00 0.00 C ATOM 409 CZ TYR A 30 0.453 -8.014 -2.616 1.00 0.00 C ATOM 410 OH TYR A 30 -0.748 -8.643 -2.518 1.00 0.00 O ATOM 0 H TYR A 30 5.197 -7.777 -0.886 1.00 0.00 H new ATOM 0 HA TYR A 30 5.584 -7.888 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.570 -5.689 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.513 -5.673 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.766 -7.025 -4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.976 -6.889 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.496 -8.030 -4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.679 -7.797 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.000 -8.723 -1.574 1.00 0.00 H new ATOM 419 N TYR A 31 7.745 -6.928 -1.779 1.00 0.00 N ATOM 420 CA TYR A 31 9.091 -6.393 -1.608 1.00 0.00 C ATOM 421 C TYR A 31 9.098 -4.926 -1.148 1.00 0.00 C ATOM 422 O TYR A 31 10.164 -4.317 -1.087 1.00 0.00 O ATOM 423 CB TYR A 31 9.995 -6.608 -2.827 1.00 0.00 C ATOM 424 CG TYR A 31 9.676 -7.689 -3.849 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.123 -8.934 -3.486 1.00 0.00 C ATOM 426 CD2 TYR A 31 9.917 -7.411 -5.208 1.00 0.00 C ATOM 427 CE1 TYR A 31 8.620 -9.791 -4.483 1.00 0.00 C ATOM 428 CE2 TYR A 31 9.506 -8.317 -6.197 1.00 0.00 C ATOM 429 CZ TYR A 31 8.774 -9.459 -5.839 1.00 0.00 C ATOM 430 OH TYR A 31 8.083 -10.148 -6.793 1.00 0.00 O ATOM 0 H TYR A 31 7.479 -7.580 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 31 9.524 -6.982 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.039 -5.661 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.998 -6.808 -2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.085 -9.229 -2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.420 -6.498 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.115 -10.704 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.753 -8.136 -7.233 1.00 0.00 H new ATOM 0 HH TYR A 31 8.097 -9.645 -7.634 1.00 0.00 H new ATOM 439 N ALA A 32 7.939 -4.344 -0.814 1.00 0.00 N ATOM 440 CA ALA A 32 7.870 -2.935 -0.496 1.00 0.00 C ATOM 441 C ALA A 32 8.506 -2.637 0.856 1.00 0.00 C ATOM 442 O ALA A 32 8.157 -3.249 1.858 1.00 0.00 O ATOM 443 CB ALA A 32 6.423 -2.491 -0.535 1.00 0.00 C ATOM 0 H ALA A 32 7.047 -4.835 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 32 8.437 -2.373 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.362 -1.429 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.016 -2.663 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.848 -3.061 0.195 1.00 0.00 H new ATOM 449 N THR A 33 9.425 -1.675 0.875 1.00 0.00 N ATOM 450 CA THR A 33 10.240 -1.347 2.033 1.00 0.00 C ATOM 451 C THR A 33 9.463 -0.538 3.070 1.00 0.00 C ATOM 452 O THR A 33 9.871 -0.524 4.230 1.00 0.00 O ATOM 453 CB THR A 33 11.539 -0.642 1.610 1.00 0.00 C ATOM 454 OG1 THR A 33 12.384 -0.481 2.732 1.00 0.00 O ATOM 455 CG2 THR A 33 11.310 0.729 0.962 1.00 0.00 C ATOM 0 H THR A 33 9.626 -1.090 0.064 1.00 0.00 H new ATOM 0 HA THR A 33 10.516 -2.284 2.516 1.00 0.00 H new ATOM 0 HB THR A 33 12.001 -1.281 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.211 -0.033 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.270 1.167 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.698 0.611 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.799 1.384 1.668 1.00 0.00 H new ATOM 463 N SER A 34 8.391 0.149 2.659 1.00 0.00 N ATOM 464 CA SER A 34 7.492 0.841 3.572 1.00 0.00 C ATOM 465 C SER A 34 6.054 0.635 3.093 1.00 0.00 C ATOM 466 O SER A 34 5.848 -0.053 2.095 1.00 0.00 O ATOM 467 CB SER A 34 7.867 2.327 3.694 1.00 0.00 C ATOM 468 OG SER A 34 9.266 2.477 3.848 1.00 0.00 O ATOM 0 H SER A 34 8.127 0.237 1.678 1.00 0.00 H new ATOM 0 HA SER A 34 7.584 0.425 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.534 2.866 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.352 2.769 4.547 1.00 0.00 H new ATOM 0 HG SER A 34 9.505 3.424 3.763 1.00 0.00 H new ATOM 473 N GLY A 35 5.067 1.238 3.765 1.00 0.00 N ATOM 474 CA GLY A 35 3.647 0.993 3.534 1.00 0.00 C ATOM 475 C GLY A 35 2.935 1.077 4.869 1.00 0.00 C ATOM 476 O GLY A 35 3.584 1.198 5.910 1.00 0.00 O ATOM 0 H GLY A 35 5.241 1.924 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.241 1.728 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.498 0.012 3.083 1.00 0.00 H new ATOM 480 N TYR A 36 1.607 1.045 4.831 1.00 0.00 N ATOM 481 CA TYR A 36 0.761 1.237 5.995 1.00 0.00 C ATOM 482 C TYR A 36 -0.691 1.066 5.573 1.00 0.00 C ATOM 483 O TYR A 36 -1.014 1.102 4.383 1.00 0.00 O ATOM 484 CB TYR A 36 1.006 2.612 6.646 1.00 0.00 C ATOM 485 CG TYR A 36 1.082 3.770 5.678 1.00 0.00 C ATOM 486 CD1 TYR A 36 -0.041 4.147 4.914 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.307 4.432 5.488 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.099 5.077 3.873 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.416 5.416 4.500 1.00 0.00 C ATOM 490 CZ TYR A 36 1.341 5.692 3.654 1.00 0.00 C ATOM 491 OH TYR A 36 1.551 6.544 2.618 1.00 0.00 O ATOM 0 H TYR A 36 1.082 0.881 3.972 1.00 0.00 H new ATOM 0 HA TYR A 36 1.006 0.491 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.207 2.807 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.936 2.569 7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.009 3.720 5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.160 4.182 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.745 5.318 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.339 5.966 4.391 1.00 0.00 H new ATOM 0 HH TYR A 36 1.482 6.054 1.772 1.00 0.00 H new ATOM 500 N CYS A 37 -1.548 0.892 6.575 1.00 0.00 N ATOM 501 CA CYS A 37 -2.984 0.764 6.404 1.00 0.00 C ATOM 502 C CYS A 37 -3.529 2.170 6.156 1.00 0.00 C ATOM 503 O CYS A 37 -3.740 2.942 7.089 1.00 0.00 O ATOM 504 CB CYS A 37 -3.584 0.054 7.626 1.00 0.00 C ATOM 505 SG CYS A 37 -3.002 -1.659 7.793 1.00 0.00 S ATOM 0 H CYS A 37 -1.252 0.835 7.549 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.259 0.144 5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.328 0.611 8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.671 0.059 7.547 1.00 0.00 H new ATOM 509 N CYS A 38 -3.657 2.528 4.878 1.00 0.00 N ATOM 510 CA CYS A 38 -4.191 3.801 4.410 1.00 0.00 C ATOM 511 C CYS A 38 -5.697 3.849 4.685 1.00 0.00 C ATOM 512 O CYS A 38 -6.291 2.806 4.938 1.00 0.00 O ATOM 513 CB CYS A 38 -3.904 3.918 2.906 1.00 0.00 C ATOM 514 SG CYS A 38 -4.552 5.393 2.080 1.00 0.00 S ATOM 0 H CYS A 38 -3.380 1.913 4.113 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.722 4.635 4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.824 3.891 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.315 3.039 2.410 1.00 0.00 H new ATOM 518 N LEU A 39 -6.299 5.046 4.597 1.00 0.00 N ATOM 519 CA LEU A 39 -7.711 5.392 4.734 1.00 0.00 C ATOM 520 C LEU A 39 -8.682 4.205 4.757 1.00 0.00 C ATOM 521 O LEU A 39 -9.487 4.091 5.675 1.00 0.00 O ATOM 522 CB LEU A 39 -8.093 6.399 3.625 1.00 0.00 C ATOM 523 CG LEU A 39 -8.577 7.737 4.206 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.654 8.802 3.107 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.956 7.586 4.861 1.00 0.00 C ATOM 0 H LEU A 39 -5.743 5.880 4.408 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.819 5.838 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.231 6.574 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.876 5.970 3.000 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.858 8.048 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.998 9.743 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.667 8.943 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.352 8.478 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.275 8.547 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.677 7.247 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.897 6.856 5.668 1.00 0.00 H new ATOM 536 N LEU A 40 -8.637 3.362 3.721 1.00 0.00 N ATOM 537 CA LEU A 40 -9.408 2.132 3.649 1.00 0.00 C ATOM 538 C LEU A 40 -8.684 1.114 2.759 1.00 0.00 C ATOM 539 O LEU A 40 -9.312 0.433 1.949 1.00 0.00 O ATOM 540 CB LEU A 40 -10.850 2.450 3.197 1.00 0.00 C ATOM 541 CG LEU A 40 -11.011 3.367 1.976 1.00 0.00 C ATOM 542 CD1 LEU A 40 -11.261 2.608 0.669 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.143 4.374 2.208 1.00 0.00 C ATOM 0 H LEU A 40 -8.053 3.524 2.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.490 1.668 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.353 1.507 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.375 2.907 4.036 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.060 3.887 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.365 3.319 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.421 1.943 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.175 2.021 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.244 5.016 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.078 3.839 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.914 4.984 3.082 1.00 0.00 H new ATOM 554 N SER A 41 -7.346 1.040 2.831 1.00 0.00 N ATOM 555 CA SER A 41 -6.561 0.173 1.952 1.00 0.00 C ATOM 556 C SER A 41 -5.134 -0.023 2.480 1.00 0.00 C ATOM 557 O SER A 41 -4.830 0.400 3.589 1.00 0.00 O ATOM 558 CB SER A 41 -6.504 0.750 0.528 1.00 0.00 C ATOM 559 OG SER A 41 -7.624 1.552 0.194 1.00 0.00 O ATOM 0 H SER A 41 -6.786 1.575 3.495 1.00 0.00 H new ATOM 0 HA SER A 41 -7.058 -0.797 1.930 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.597 1.346 0.423 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.431 -0.071 -0.185 1.00 0.00 H new ATOM 0 HG SER A 41 -7.320 2.367 -0.258 1.00 0.00 H new ATOM 564 N CYS A 42 -4.244 -0.615 1.668 1.00 0.00 N ATOM 565 CA CYS A 42 -2.865 -0.909 2.055 1.00 0.00 C ATOM 566 C CYS A 42 -1.847 -0.360 1.070 1.00 0.00 C ATOM 567 O CYS A 42 -1.659 -0.892 -0.028 1.00 0.00 O ATOM 568 CB CYS A 42 -2.693 -2.420 2.187 1.00 0.00 C ATOM 569 SG CYS A 42 -1.148 -2.902 2.973 1.00 0.00 S ATOM 0 H CYS A 42 -4.469 -0.904 0.716 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.680 -0.416 3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.526 -2.823 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.743 -2.871 1.196 1.00 0.00 H new ATOM 573 N TYR A 43 -1.195 0.724 1.491 1.00 0.00 N ATOM 574 CA TYR A 43 -0.137 1.363 0.748 1.00 0.00 C ATOM 575 C TYR A 43 1.156 0.648 0.998 1.00 0.00 C ATOM 576 O TYR A 43 1.358 0.098 2.081 1.00 0.00 O ATOM 577 CB TYR A 43 0.076 2.784 1.250 1.00 0.00 C ATOM 578 CG TYR A 43 0.546 3.772 0.178 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.064 3.832 -1.091 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.748 4.477 0.372 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.517 4.582 -2.128 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.233 5.364 -0.608 1.00 0.00 C ATOM 583 CZ TYR A 43 1.579 5.455 -1.848 1.00 0.00 C ATOM 584 OH TYR A 43 1.972 6.320 -2.826 1.00 0.00 O ATOM 0 H TYR A 43 -1.401 1.183 2.378 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.417 1.349 -0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.858 3.149 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.810 2.765 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.985 3.297 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.307 4.336 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.147 4.487 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.103 5.971 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 43 2.442 7.079 -2.422 1.00 0.00 H new ATOM 593 N CYS A 44 2.040 0.755 0.018 1.00 0.00 N ATOM 594 CA CYS A 44 3.327 0.156 -0.010 1.00 0.00 C ATOM 595 C CYS A 44 4.259 1.095 -0.769 1.00 0.00 C ATOM 596 O CYS A 44 3.775 1.858 -1.606 1.00 0.00 O ATOM 597 CB CYS A 44 3.109 -1.131 -0.744 1.00 0.00 C ATOM 598 SG CYS A 44 2.010 -2.298 0.074 1.00 0.00 S ATOM 0 H CYS A 44 1.847 1.300 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 44 3.773 -0.024 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.705 -0.905 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.075 -1.612 -0.898 1.00 0.00 H new ATOM 602 N PHE A 45 5.565 1.036 -0.490 1.00 0.00 N ATOM 603 CA PHE A 45 6.617 1.789 -1.147 1.00 0.00 C ATOM 604 C PHE A 45 7.720 0.832 -1.582 1.00 0.00 C ATOM 605 O PHE A 45 8.287 0.138 -0.744 1.00 0.00 O ATOM 606 CB PHE A 45 7.232 2.803 -0.182 1.00 0.00 C ATOM 607 CG PHE A 45 6.330 3.926 0.291 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.379 3.656 1.285 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.563 5.261 -0.099 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.753 4.703 1.968 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.846 6.310 0.512 1.00 0.00 C ATOM 612 CZ PHE A 45 4.953 6.032 1.561 1.00 0.00 C ATOM 0 H PHE A 45 5.928 0.425 0.242 1.00 0.00 H new ATOM 0 HA PHE A 45 6.187 2.308 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.592 2.264 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.103 3.246 -0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.128 2.633 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.291 5.480 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.113 4.489 2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.983 7.327 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.424 6.836 2.051 1.00 0.00 H new ATOM 621 N GLY A 46 8.040 0.827 -2.871 1.00 0.00 N ATOM 622 CA GLY A 46 9.023 -0.045 -3.485 1.00 0.00 C ATOM 623 C GLY A 46 8.416 -1.405 -3.818 1.00 0.00 C ATOM 624 O GLY A 46 9.067 -2.422 -3.594 1.00 0.00 O ATOM 0 H GLY A 46 7.601 1.458 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.408 0.418 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.870 -0.176 -2.811 1.00 0.00 H new ATOM 628 N LEU A 47 7.181 -1.437 -4.343 1.00 0.00 N ATOM 629 CA LEU A 47 6.543 -2.656 -4.778 1.00 0.00 C ATOM 630 C LEU A 47 7.369 -3.306 -5.891 1.00 0.00 C ATOM 631 O LEU A 47 8.382 -2.769 -6.339 1.00 0.00 O ATOM 632 CB LEU A 47 5.121 -2.323 -5.268 1.00 0.00 C ATOM 633 CG LEU A 47 4.258 -1.627 -4.200 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.597 -0.208 -3.904 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.784 -1.565 -4.594 1.00 0.00 C ATOM 0 H LEU A 47 6.607 -0.604 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 47 6.478 -3.363 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.188 -1.681 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.627 -3.243 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 47 4.462 -2.252 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.923 0.175 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.625 -0.146 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.492 0.388 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.218 -1.065 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.680 -1.009 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.401 -2.576 -4.730 1.00 0.00 H new ATOM 646 N ASP A 48 6.883 -4.435 -6.392 1.00 0.00 N ATOM 647 CA ASP A 48 7.393 -4.997 -7.625 1.00 0.00 C ATOM 648 C ASP A 48 6.956 -4.084 -8.763 1.00 0.00 C ATOM 649 O ASP A 48 6.211 -3.126 -8.551 1.00 0.00 O ATOM 650 CB ASP A 48 6.855 -6.421 -7.803 1.00 0.00 C ATOM 651 CG ASP A 48 7.669 -7.315 -8.725 1.00 0.00 C ATOM 652 OD1 ASP A 48 8.579 -6.801 -9.400 1.00 0.00 O ATOM 653 OD2 ASP A 48 7.381 -8.534 -8.681 1.00 0.00 O ATOM 0 H ASP A 48 6.135 -4.976 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 48 8.481 -5.061 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.798 -6.895 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.837 -6.361 -8.188 1.00 0.00 H new ATOM 657 N ASP A 49 7.423 -4.446 -9.949 1.00 0.00 N ATOM 658 CA ASP A 49 7.327 -3.719 -11.216 1.00 0.00 C ATOM 659 C ASP A 49 6.037 -2.893 -11.276 1.00 0.00 C ATOM 660 O ASP A 49 6.060 -1.681 -11.054 1.00 0.00 O ATOM 661 CB ASP A 49 7.447 -4.709 -12.381 1.00 0.00 C ATOM 662 CG ASP A 49 7.237 -4.005 -13.713 1.00 0.00 C ATOM 663 OD1 ASP A 49 8.025 -3.077 -13.991 1.00 0.00 O ATOM 664 OD2 ASP A 49 6.287 -4.404 -14.418 1.00 0.00 O ATOM 0 H ASP A 49 7.921 -5.329 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 49 8.149 -3.008 -11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.430 -5.179 -12.364 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.711 -5.505 -12.265 1.00 0.00 H new ATOM 668 N ASP A 50 4.921 -3.602 -11.451 1.00 0.00 N ATOM 669 CA ASP A 50 3.617 -3.314 -10.905 1.00 0.00 C ATOM 670 C ASP A 50 2.818 -4.598 -11.090 1.00 0.00 C ATOM 671 O ASP A 50 2.620 -5.084 -12.200 1.00 0.00 O ATOM 672 CB ASP A 50 2.906 -2.164 -11.595 1.00 0.00 C ATOM 673 CG ASP A 50 1.820 -1.594 -10.701 1.00 0.00 C ATOM 674 OD1 ASP A 50 0.816 -2.315 -10.498 1.00 0.00 O ATOM 675 OD2 ASP A 50 2.011 -0.462 -10.206 1.00 0.00 O ATOM 0 H ASP A 50 4.917 -4.449 -12.019 1.00 0.00 H new ATOM 0 HA ASP A 50 3.714 -3.004 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.624 -1.384 -11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.469 -2.509 -12.532 1.00 0.00 H new ATOM 679 N LYS A 51 2.427 -5.183 -9.972 1.00 0.00 N ATOM 680 CA LYS A 51 1.571 -6.362 -9.923 1.00 0.00 C ATOM 681 C LYS A 51 0.258 -6.055 -10.651 1.00 0.00 C ATOM 682 O LYS A 51 -0.095 -6.729 -11.615 1.00 0.00 O ATOM 683 CB LYS A 51 1.300 -6.786 -8.465 1.00 0.00 C ATOM 684 CG LYS A 51 1.943 -8.128 -8.092 1.00 0.00 C ATOM 685 CD LYS A 51 3.468 -8.036 -7.962 1.00 0.00 C ATOM 686 CE LYS A 51 4.016 -9.363 -7.406 1.00 0.00 C ATOM 687 NZ LYS A 51 5.465 -9.297 -7.124 1.00 0.00 N ATOM 0 H LYS A 51 2.701 -4.846 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 51 2.075 -7.193 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.674 -6.013 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.223 -6.851 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.522 -8.479 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.691 -8.870 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.914 -7.824 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.738 -7.213 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.481 -9.620 -6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.824 -10.162 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.815 -10.246 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.967 -8.947 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.634 -8.652 -6.326 1.00 0.00 H new ATOM 697 N ALA A 52 -0.457 -5.055 -10.130 1.00 0.00 N ATOM 698 CA ALA A 52 -1.755 -4.558 -10.554 1.00 0.00 C ATOM 699 C ALA A 52 -2.269 -3.643 -9.449 1.00 0.00 C ATOM 700 O ALA A 52 -3.332 -3.881 -8.874 1.00 0.00 O ATOM 701 CB ALA A 52 -2.731 -5.720 -10.768 1.00 0.00 C ATOM 0 H ALA A 52 -0.105 -4.530 -9.329 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.668 -4.020 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.698 -5.329 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.340 -6.387 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.851 -6.271 -9.835 1.00 0.00 H new ATOM 707 N VAL A 53 -1.495 -2.615 -9.104 1.00 0.00 N ATOM 708 CA VAL A 53 -1.814 -1.816 -7.929 1.00 0.00 C ATOM 709 C VAL A 53 -3.162 -1.129 -8.102 1.00 0.00 C ATOM 710 O VAL A 53 -3.535 -0.715 -9.208 1.00 0.00 O ATOM 711 CB VAL A 53 -0.722 -0.792 -7.581 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.586 -1.508 -7.237 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.543 0.265 -8.675 1.00 0.00 C ATOM 0 H VAL A 53 -0.660 -2.322 -9.611 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.868 -2.506 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.045 -0.243 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.351 -0.771 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.427 -2.164 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.913 -2.100 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.240 0.964 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.262 -0.222 -9.609 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.479 0.806 -8.815 1.00 0.00 H new ATOM 723 N LEU A 54 -3.886 -0.973 -6.994 1.00 0.00 N ATOM 724 CA LEU A 54 -5.067 -0.143 -6.995 1.00 0.00 C ATOM 725 C LEU A 54 -4.663 1.315 -7.138 1.00 0.00 C ATOM 726 O LEU A 54 -3.493 1.698 -7.078 1.00 0.00 O ATOM 727 CB LEU A 54 -5.928 -0.379 -5.757 1.00 0.00 C ATOM 728 CG LEU A 54 -6.980 -1.478 -5.958 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.361 -2.752 -6.529 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.669 -1.758 -4.621 1.00 0.00 C ATOM 0 H LEU A 54 -3.670 -1.410 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.686 -0.417 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.284 -0.649 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.429 0.551 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.716 -1.132 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.136 -3.507 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.904 -2.533 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.600 -3.126 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.419 -2.538 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.929 -2.087 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.152 -0.849 -4.263 1.00 0.00 H new ATOM 741 N LYS A 55 -5.690 2.097 -7.432 1.00 0.00 N ATOM 742 CA LYS A 55 -5.615 3.382 -8.090 1.00 0.00 C ATOM 743 C LYS A 55 -6.449 4.361 -7.268 1.00 0.00 C ATOM 744 O LYS A 55 -7.517 3.998 -6.780 1.00 0.00 O ATOM 745 CB LYS A 55 -6.065 3.220 -9.552 1.00 0.00 C ATOM 746 CG LYS A 55 -5.138 2.220 -10.271 1.00 0.00 C ATOM 747 CD LYS A 55 -5.583 1.891 -11.701 1.00 0.00 C ATOM 748 CE LYS A 55 -4.589 0.937 -12.393 1.00 0.00 C ATOM 749 NZ LYS A 55 -4.435 -0.368 -11.703 1.00 0.00 N ATOM 0 H LYS A 55 -6.648 1.833 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.603 3.783 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.096 2.867 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.040 4.184 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.128 2.629 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.093 1.298 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.573 1.435 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.668 2.812 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.921 0.760 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.615 1.423 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.980 -1.048 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.846 -0.245 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.371 -0.727 -11.426 1.00 0.00 H new ATOM 759 N ILE A 56 -5.888 5.545 -7.009 1.00 0.00 N ATOM 760 CA ILE A 56 -6.152 6.281 -5.780 1.00 0.00 C ATOM 761 C ILE A 56 -6.545 7.738 -6.031 1.00 0.00 C ATOM 762 O ILE A 56 -5.984 8.399 -6.910 1.00 0.00 O ATOM 763 CB ILE A 56 -4.935 6.159 -4.835 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.579 6.018 -5.555 1.00 0.00 C ATOM 765 CG2 ILE A 56 -5.146 4.951 -3.926 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.386 5.983 -4.594 1.00 0.00 C ATOM 0 H ILE A 56 -5.242 6.014 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.020 5.832 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.881 7.092 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.584 5.105 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.455 6.850 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.295 4.850 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.057 5.089 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.237 4.050 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.462 5.882 -5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.357 6.907 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.489 5.135 -3.917 1.00 0.00 H new ATOM 777 N LYS A 57 -7.502 8.216 -5.224 1.00 0.00 N ATOM 778 CA LYS A 57 -7.981 9.595 -5.191 1.00 0.00 C ATOM 779 C LYS A 57 -6.809 10.523 -4.850 1.00 0.00 C ATOM 780 O LYS A 57 -5.859 10.079 -4.219 1.00 0.00 O ATOM 781 CB LYS A 57 -9.039 9.760 -4.083 1.00 0.00 C ATOM 782 CG LYS A 57 -10.162 8.705 -3.978 1.00 0.00 C ATOM 783 CD LYS A 57 -10.470 8.316 -2.511 1.00 0.00 C ATOM 784 CE LYS A 57 -9.754 7.015 -2.087 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.614 6.841 -0.616 1.00 0.00 N ATOM 0 H LYS A 57 -7.982 7.621 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.410 9.840 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.517 9.786 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.510 10.734 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.067 9.093 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.873 7.814 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.165 9.128 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.546 8.192 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.303 6.164 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.762 6.997 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.281 5.878 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.928 7.531 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.536 6.993 -0.159 1.00 0.00 H new ATOM 795 N ASP A 58 -6.904 11.809 -5.178 1.00 0.00 N ATOM 796 CA ASP A 58 -5.892 12.829 -4.936 1.00 0.00 C ATOM 797 C ASP A 58 -5.795 13.179 -3.453 1.00 0.00 C ATOM 798 O ASP A 58 -4.704 13.272 -2.888 1.00 0.00 O ATOM 799 CB ASP A 58 -6.262 14.010 -5.828 1.00 0.00 C ATOM 800 CG ASP A 58 -5.689 13.850 -7.237 1.00 0.00 C ATOM 801 OD1 ASP A 58 -5.468 12.685 -7.644 1.00 0.00 O ATOM 802 OD2 ASP A 58 -5.482 14.898 -7.880 1.00 0.00 O ATOM 0 H ASP A 58 -7.731 12.185 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.890 12.481 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.347 14.099 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.888 14.933 -5.385 1.00 0.00 H new ATOM 806 N ALA A 59 -6.943 13.313 -2.796 1.00 0.00 N ATOM 807 CA ALA A 59 -6.971 13.462 -1.349 1.00 0.00 C ATOM 808 C ALA A 59 -6.275 12.280 -0.667 1.00 0.00 C ATOM 809 O ALA A 59 -5.428 12.477 0.201 1.00 0.00 O ATOM 810 CB ALA A 59 -8.416 13.615 -0.867 1.00 0.00 C ATOM 0 H ALA A 59 -7.860 13.321 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.423 14.364 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.428 13.726 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.862 14.497 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.989 12.731 -1.148 1.00 0.00 H new ATOM 816 N THR A 60 -6.614 11.048 -1.067 1.00 0.00 N ATOM 817 CA THR A 60 -6.043 9.863 -0.447 1.00 0.00 C ATOM 818 C THR A 60 -4.557 9.786 -0.804 1.00 0.00 C ATOM 819 O THR A 60 -3.756 9.470 0.058 1.00 0.00 O ATOM 820 CB THR A 60 -6.856 8.605 -0.817 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.312 7.886 0.311 1.00 0.00 O ATOM 822 CG2 THR A 60 -6.124 7.641 -1.744 1.00 0.00 C ATOM 0 H THR A 60 -7.279 10.854 -1.815 1.00 0.00 H new ATOM 0 HA THR A 60 -6.105 9.924 0.639 1.00 0.00 H new ATOM 0 HB THR A 60 -7.712 9.012 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.184 6.926 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.763 6.784 -1.956 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.878 8.149 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.207 7.300 -1.264 1.00 0.00 H new ATOM 830 N LYS A 61 -4.189 10.077 -2.055 1.00 0.00 N ATOM 831 CA LYS A 61 -2.817 10.202 -2.525 1.00 0.00 C ATOM 832 C LYS A 61 -2.032 11.074 -1.550 1.00 0.00 C ATOM 833 O LYS A 61 -1.075 10.600 -0.951 1.00 0.00 O ATOM 834 CB LYS A 61 -2.841 10.835 -3.930 1.00 0.00 C ATOM 835 CG LYS A 61 -2.800 9.897 -5.144 1.00 0.00 C ATOM 836 CD LYS A 61 -3.318 10.734 -6.328 1.00 0.00 C ATOM 837 CE LYS A 61 -2.982 10.283 -7.750 1.00 0.00 C ATOM 838 NZ LYS A 61 -3.775 9.110 -8.152 1.00 0.00 N ATOM 0 H LYS A 61 -4.872 10.238 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.334 9.226 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.743 11.442 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.992 11.515 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.787 9.539 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.424 9.018 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.404 10.786 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.940 11.749 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.167 11.102 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.921 10.044 -7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.178 8.259 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.580 8.996 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.128 9.245 -9.121 1.00 0.00 H new ATOM 848 N SER A 62 -2.445 12.329 -1.358 1.00 0.00 N ATOM 849 CA SER A 62 -1.719 13.224 -0.466 1.00 0.00 C ATOM 850 C SER A 62 -1.628 12.613 0.937 1.00 0.00 C ATOM 851 O SER A 62 -0.536 12.450 1.484 1.00 0.00 O ATOM 852 CB SER A 62 -2.398 14.601 -0.466 1.00 0.00 C ATOM 853 OG SER A 62 -1.650 15.534 0.288 1.00 0.00 O ATOM 0 H SER A 62 -3.266 12.740 -1.802 1.00 0.00 H new ATOM 0 HA SER A 62 -0.696 13.358 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.505 14.958 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.403 14.515 -0.052 1.00 0.00 H new ATOM 0 HG SER A 62 -2.101 16.404 0.272 1.00 0.00 H new ATOM 858 N TYR A 63 -2.782 12.227 1.486 1.00 0.00 N ATOM 859 CA TYR A 63 -2.894 11.630 2.809 1.00 0.00 C ATOM 860 C TYR A 63 -1.983 10.419 2.975 1.00 0.00 C ATOM 861 O TYR A 63 -1.480 10.170 4.067 1.00 0.00 O ATOM 862 CB TYR A 63 -4.344 11.202 3.041 1.00 0.00 C ATOM 863 CG TYR A 63 -4.651 10.743 4.456 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.391 11.593 5.547 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.136 9.442 4.690 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.559 11.128 6.863 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.286 8.970 6.006 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.991 9.810 7.090 1.00 0.00 C ATOM 869 OH TYR A 63 -5.144 9.347 8.362 1.00 0.00 O ATOM 0 H TYR A 63 -3.679 12.325 1.010 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.586 12.378 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.999 12.037 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.585 10.393 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.061 12.606 5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.393 8.805 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.356 11.782 7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.628 7.961 6.182 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.450 8.416 8.337 1.00 0.00 H new ATOM 878 N CYS A 64 -1.835 9.638 1.906 1.00 0.00 N ATOM 879 CA CYS A 64 -1.176 8.342 1.917 1.00 0.00 C ATOM 880 C CYS A 64 -0.003 8.296 0.946 1.00 0.00 C ATOM 881 O CYS A 64 0.246 7.227 0.392 1.00 0.00 O ATOM 882 CB CYS A 64 -2.178 7.220 1.610 1.00 0.00 C ATOM 883 SG CYS A 64 -3.451 6.967 2.859 1.00 0.00 S ATOM 0 H CYS A 64 -2.182 9.901 0.984 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.777 8.187 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.663 7.438 0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.628 6.288 1.481 1.00 0.00 H new ATOM 887 N ASP A 65 0.771 9.376 0.806 1.00 0.00 N ATOM 888 CA ASP A 65 2.074 9.318 0.151 1.00 0.00 C ATOM 889 C ASP A 65 3.165 9.945 1.015 1.00 0.00 C ATOM 890 O ASP A 65 4.121 9.281 1.414 1.00 0.00 O ATOM 891 CB ASP A 65 1.986 9.990 -1.215 1.00 0.00 C ATOM 892 CG ASP A 65 3.253 9.696 -1.996 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.320 8.571 -2.543 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.141 10.572 -1.996 1.00 0.00 O ATOM 0 H ASP A 65 0.513 10.304 1.141 1.00 0.00 H new ATOM 0 HA ASP A 65 2.350 8.273 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.115 9.623 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.858 11.066 -1.097 1.00 0.00 H new ATOM 898 N VAL A 66 2.990 11.226 1.346 1.00 0.00 N ATOM 899 CA VAL A 66 3.975 12.032 2.064 1.00 0.00 C ATOM 900 C VAL A 66 4.372 11.395 3.405 1.00 0.00 C ATOM 901 O VAL A 66 5.507 11.549 3.852 1.00 0.00 O ATOM 902 CB VAL A 66 3.431 13.465 2.242 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.435 14.363 2.981 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.119 14.110 0.884 1.00 0.00 C ATOM 0 H VAL A 66 2.140 11.742 1.117 1.00 0.00 H new ATOM 0 HA VAL A 66 4.890 12.077 1.473 1.00 0.00 H new ATOM 0 HB VAL A 66 2.518 13.379 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.018 15.364 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.637 13.947 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.363 14.416 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.737 15.119 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.028 14.154 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.369 13.515 0.362 1.00 0.00 H new ATOM 914 N GLN A 67 3.431 10.670 4.017 1.00 0.00 N ATOM 915 CA GLN A 67 3.484 9.944 5.274 1.00 0.00 C ATOM 916 C GLN A 67 4.897 9.591 5.725 1.00 0.00 C ATOM 917 O GLN A 67 5.387 10.085 6.737 1.00 0.00 O ATOM 918 CB GLN A 67 2.665 8.670 5.042 1.00 0.00 C ATOM 919 CG GLN A 67 1.169 8.942 5.183 1.00 0.00 C ATOM 920 CD GLN A 67 0.671 9.045 6.577 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.325 8.731 7.567 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.585 9.427 6.600 1.00 0.00 N ATOM 0 H GLN A 67 2.511 10.572 3.587 1.00 0.00 H new ATOM 0 HA GLN A 67 3.089 10.569 6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.874 8.277 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.967 7.905 5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.935 9.870 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.623 8.146 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.059 9.672 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.086 9.479 7.487 1.00 0.00 H new ATOM 929 N ILE A 68 5.525 8.687 4.980 1.00 0.00 N ATOM 930 CA ILE A 68 6.795 8.088 5.351 1.00 0.00 C ATOM 931 C ILE A 68 7.953 8.983 4.890 1.00 0.00 C ATOM 932 O ILE A 68 9.061 8.879 5.409 1.00 0.00 O ATOM 933 CB ILE A 68 6.823 6.669 4.772 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.788 5.777 5.486 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.212 6.043 4.795 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.180 5.153 6.830 1.00 0.00 C ATOM 0 H ILE A 68 5.158 8.348 4.091 1.00 0.00 H new ATOM 0 HA ILE A 68 6.912 8.007 6.432 1.00 0.00 H new ATOM 0 HB ILE A 68 6.550 6.747 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.888 6.371 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.521 4.967 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.166 5.039 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.896 6.654 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.569 5.987 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.352 4.554 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.055 4.517 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.412 5.943 7.544 1.00 0.00 H new ATOM 947 N ILE A 69 7.706 9.870 3.922 1.00 0.00 N ATOM 948 CA ILE A 69 8.695 10.787 3.387 1.00 0.00 C ATOM 949 C ILE A 69 8.780 11.988 4.326 1.00 0.00 C ATOM 950 O ILE A 69 9.860 12.526 4.565 1.00 0.00 O ATOM 951 CB ILE A 69 8.299 11.205 1.958 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.902 10.011 1.065 1.00 0.00 C ATOM 953 CG2 ILE A 69 9.419 12.025 1.301 1.00 0.00 C ATOM 954 CD1 ILE A 69 8.980 8.929 0.944 1.00 0.00 C ATOM 0 H ILE A 69 6.790 9.966 3.484 1.00 0.00 H new ATOM 0 HA ILE A 69 9.675 10.314 3.325 1.00 0.00 H new ATOM 0 HB ILE A 69 7.410 11.828 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.994 9.560 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.662 10.382 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.118 12.310 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.607 12.922 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.328 11.426 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.620 8.127 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.883 9.362 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.205 8.527 1.932 1.00 0.00 H new TER 965 ILE A 69