USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=24 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 61 LYS NZ :NH3+ 168:sc= 2.23 (180deg=0.439) USER MOD Set 1.2: A 62 SER OG : rot 111:sc= 2.15 USER MOD Set 2.1: A 3 ASN : amide:sc= 0.858 K(o=0.26,f=-5.2!) USER MOD Set 2.2: A 43 TYR OH : rot 130:sc= -0.595 USER MOD Set 3.1: A 5 TYR OH : rot -104:sc= 0.985 USER MOD Set 3.2: A 41 SER OG : rot -166:sc= 1.47 USER MOD Set 3.3: A 57 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.988) USER MOD Set 3.4: A 60 THR OG1 : rot -132:sc= 1.05 USER MOD Set 4.1: A 20 ASN : amide:sc= -0.0412 K(o=0.94,f=-0.43) USER MOD Set 4.2: A 23 ASN : amide:sc= 0.986 K(o=0.94,f=-0.04) USER MOD Single : A 1 LYS N :NH3+ 145:sc= -0.437 (180deg=-2.52!) USER MOD Single : A 1 LYS NZ :NH3+ 156:sc= 1.09 (180deg=-0.0791!) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= 1.27 (180deg=1.18) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 1.12 (180deg=0.871) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.124 K(o=-0.12,f=-6.3!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 75:sc= 0.915 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 30 TYR OH : rot -7:sc= 0.525 USER MOD Single : A 31 TYR OH : rot 40:sc= 1.21 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 34 SER OG : rot 170:sc= 0.321 USER MOD Single : A 36 TYR OH : rot -85:sc= -0.13 USER MOD Single : A 51 LYS NZ :NH3+ -107:sc= 0.654 (180deg=-3.39!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.14 K(o=1.1,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.752 -0.653 -8.909 1.00 0.00 N ATOM 2 CA LYS A 1 9.120 0.062 -7.701 1.00 0.00 C ATOM 3 C LYS A 1 8.600 1.493 -7.754 1.00 0.00 C ATOM 4 O LYS A 1 9.334 2.449 -7.996 1.00 0.00 O ATOM 5 CB LYS A 1 10.611 -0.049 -7.376 1.00 0.00 C ATOM 6 CG LYS A 1 11.518 -0.049 -8.609 1.00 0.00 C ATOM 7 CD LYS A 1 12.993 -0.037 -8.176 1.00 0.00 C ATOM 8 CE LYS A 1 13.899 -0.647 -9.254 1.00 0.00 C ATOM 9 NZ LYS A 1 13.826 -2.125 -9.253 1.00 0.00 N ATOM 0 H1 LYS A 1 9.511 -1.317 -9.164 1.00 0.00 H new ATOM 0 H2 LYS A 1 7.871 -1.181 -8.745 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.610 0.025 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 1 8.630 -0.421 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 1 10.894 0.781 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.782 -0.966 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 1 11.317 -0.930 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.305 0.823 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 1 13.306 0.987 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 1 13.105 -0.595 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.606 -0.268 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.929 -0.333 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 14.094 -2.486 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 14.478 -2.504 -8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 12.855 -2.424 -9.031 1.00 0.00 H new ATOM 19 N LYS A 2 7.303 1.606 -7.482 1.00 0.00 N ATOM 20 CA LYS A 2 6.583 2.844 -7.252 1.00 0.00 C ATOM 21 C LYS A 2 6.072 2.775 -5.816 1.00 0.00 C ATOM 22 O LYS A 2 6.543 1.926 -5.068 1.00 0.00 O ATOM 23 CB LYS A 2 5.461 2.936 -8.290 1.00 0.00 C ATOM 24 CG LYS A 2 4.600 1.658 -8.380 1.00 0.00 C ATOM 25 CD LYS A 2 3.207 1.805 -7.777 1.00 0.00 C ATOM 26 CE LYS A 2 2.318 2.722 -8.632 1.00 0.00 C ATOM 27 NZ LYS A 2 1.216 3.299 -7.838 1.00 0.00 N ATOM 0 H LYS A 2 6.697 0.788 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 2 7.193 3.740 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.818 3.781 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.897 3.141 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.503 1.371 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.120 0.845 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.742 0.823 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.287 2.211 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.922 3.525 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.908 2.156 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.007 4.259 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.368 2.704 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.494 3.341 -6.837 1.00 0.00 H new ATOM 37 N ASN A 3 5.096 3.592 -5.418 1.00 0.00 N ATOM 38 CA ASN A 3 4.331 3.445 -4.198 1.00 0.00 C ATOM 39 C ASN A 3 2.850 3.461 -4.563 1.00 0.00 C ATOM 40 O ASN A 3 2.442 4.066 -5.561 1.00 0.00 O ATOM 41 CB ASN A 3 4.709 4.563 -3.242 1.00 0.00 C ATOM 42 CG ASN A 3 4.560 5.986 -3.771 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.367 6.224 -4.961 1.00 0.00 O ATOM 44 ND2 ASN A 3 4.675 6.922 -2.840 1.00 0.00 N ATOM 0 H ASN A 3 4.812 4.405 -5.965 1.00 0.00 H new ATOM 0 HA ASN A 3 4.546 2.502 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.098 4.466 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.746 4.418 -2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.604 7.907 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.835 6.658 -1.868 1.00 0.00 H new ATOM 50 N GLY A 4 2.054 2.648 -3.875 1.00 0.00 N ATOM 51 CA GLY A 4 0.797 2.179 -4.447 1.00 0.00 C ATOM 52 C GLY A 4 -0.018 1.339 -3.475 1.00 0.00 C ATOM 53 O GLY A 4 0.482 0.929 -2.425 1.00 0.00 O ATOM 0 H GLY A 4 2.253 2.305 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.204 3.038 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.007 1.591 -5.340 1.00 0.00 H new ATOM 57 N TYR A 5 -1.273 1.091 -3.867 1.00 0.00 N ATOM 58 CA TYR A 5 -2.180 0.177 -3.198 1.00 0.00 C ATOM 59 C TYR A 5 -1.918 -1.243 -3.661 1.00 0.00 C ATOM 60 O TYR A 5 -2.358 -1.614 -4.745 1.00 0.00 O ATOM 61 CB TYR A 5 -3.645 0.538 -3.467 1.00 0.00 C ATOM 62 CG TYR A 5 -4.386 1.530 -2.590 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.728 2.353 -1.661 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.758 1.721 -2.830 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.435 3.377 -0.999 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.438 2.792 -2.231 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.802 3.568 -1.255 1.00 0.00 C ATOM 68 OH TYR A 5 -6.579 4.163 -0.307 1.00 0.00 O ATOM 0 H TYR A 5 -1.689 1.539 -4.684 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.000 0.258 -2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.697 0.916 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.211 -0.393 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.679 2.201 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.291 1.041 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.924 4.016 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.453 3.018 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.126 3.484 0.140 1.00 0.00 H new ATOM 77 N ALA A 6 -1.237 -2.030 -2.830 1.00 0.00 N ATOM 78 CA ALA A 6 -0.958 -3.421 -3.144 1.00 0.00 C ATOM 79 C ALA A 6 -2.171 -4.275 -2.789 1.00 0.00 C ATOM 80 O ALA A 6 -2.772 -4.079 -1.732 1.00 0.00 O ATOM 81 CB ALA A 6 0.272 -3.874 -2.369 1.00 0.00 C ATOM 0 H ALA A 6 -0.868 -1.721 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.758 -3.532 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.485 -4.917 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.126 -3.258 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.087 -3.771 -1.300 1.00 0.00 H new ATOM 87 N VAL A 7 -2.530 -5.216 -3.664 1.00 0.00 N ATOM 88 CA VAL A 7 -3.620 -6.152 -3.444 1.00 0.00 C ATOM 89 C VAL A 7 -3.150 -7.537 -3.859 1.00 0.00 C ATOM 90 O VAL A 7 -2.291 -7.653 -4.735 1.00 0.00 O ATOM 91 CB VAL A 7 -4.872 -5.722 -4.234 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.392 -4.413 -3.626 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.585 -5.563 -5.738 1.00 0.00 C ATOM 0 H VAL A 7 -2.059 -5.346 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.898 -6.165 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.630 -6.501 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.279 -4.087 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.646 -4.574 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.621 -3.646 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.497 -5.259 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.816 -4.804 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.238 -6.513 -6.145 1.00 0.00 H new ATOM 103 N ASP A 8 -3.723 -8.558 -3.215 1.00 0.00 N ATOM 104 CA ASP A 8 -3.805 -9.955 -3.633 1.00 0.00 C ATOM 105 C ASP A 8 -3.160 -10.226 -4.994 1.00 0.00 C ATOM 106 O ASP A 8 -2.056 -10.752 -5.106 1.00 0.00 O ATOM 107 CB ASP A 8 -5.318 -10.248 -3.649 1.00 0.00 C ATOM 108 CG ASP A 8 -5.756 -11.571 -4.245 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.861 -12.544 -3.470 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.191 -11.531 -5.411 1.00 0.00 O ATOM 0 H ASP A 8 -4.178 -8.413 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.249 -10.605 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.683 -10.201 -2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.812 -9.448 -4.200 1.00 0.00 H new ATOM 114 N SER A 9 -3.925 -9.847 -6.008 1.00 0.00 N ATOM 115 CA SER A 9 -3.823 -10.101 -7.427 1.00 0.00 C ATOM 116 C SER A 9 -5.087 -9.494 -8.041 1.00 0.00 C ATOM 117 O SER A 9 -5.031 -8.848 -9.082 1.00 0.00 O ATOM 118 CB SER A 9 -3.777 -11.612 -7.681 1.00 0.00 C ATOM 119 OG SER A 9 -3.240 -11.890 -8.961 1.00 0.00 O ATOM 0 H SER A 9 -4.746 -9.273 -5.818 1.00 0.00 H new ATOM 0 HA SER A 9 -2.920 -9.670 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.172 -12.096 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.781 -12.029 -7.604 1.00 0.00 H new ATOM 0 HG SER A 9 -3.218 -12.859 -9.103 1.00 0.00 H new ATOM 124 N SER A 10 -6.226 -9.703 -7.365 1.00 0.00 N ATOM 125 CA SER A 10 -7.519 -9.156 -7.729 1.00 0.00 C ATOM 126 C SER A 10 -7.695 -7.794 -7.054 1.00 0.00 C ATOM 127 O SER A 10 -7.827 -6.781 -7.736 1.00 0.00 O ATOM 128 CB SER A 10 -8.605 -10.168 -7.334 1.00 0.00 C ATOM 129 OG SER A 10 -9.894 -9.666 -7.628 1.00 0.00 O ATOM 0 H SER A 10 -6.262 -10.278 -6.523 1.00 0.00 H new ATOM 0 HA SER A 10 -7.598 -8.991 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.445 -11.105 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.531 -10.390 -6.269 1.00 0.00 H new ATOM 0 HG SER A 10 -10.569 -10.328 -7.370 1.00 0.00 H new ATOM 134 N GLY A 11 -7.687 -7.753 -5.714 1.00 0.00 N ATOM 135 CA GLY A 11 -7.962 -6.511 -5.004 1.00 0.00 C ATOM 136 C GLY A 11 -8.335 -6.621 -3.524 1.00 0.00 C ATOM 137 O GLY A 11 -9.022 -5.743 -3.005 1.00 0.00 O ATOM 0 H GLY A 11 -7.496 -8.556 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.081 -5.874 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.774 -5.999 -5.520 1.00 0.00 H new ATOM 141 N LYS A 12 -7.882 -7.658 -2.810 1.00 0.00 N ATOM 142 CA LYS A 12 -8.093 -7.719 -1.369 1.00 0.00 C ATOM 143 C LYS A 12 -7.126 -6.733 -0.705 1.00 0.00 C ATOM 144 O LYS A 12 -6.037 -7.120 -0.279 1.00 0.00 O ATOM 145 CB LYS A 12 -7.894 -9.141 -0.814 1.00 0.00 C ATOM 146 CG LYS A 12 -8.941 -10.189 -1.229 1.00 0.00 C ATOM 147 CD LYS A 12 -8.909 -10.549 -2.723 1.00 0.00 C ATOM 148 CE LYS A 12 -9.331 -11.999 -3.010 1.00 0.00 C ATOM 149 NZ LYS A 12 -8.307 -12.989 -2.598 1.00 0.00 N ATOM 0 H LYS A 12 -7.376 -8.452 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.125 -7.447 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.912 -9.496 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.880 -9.084 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.784 -11.095 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.933 -9.815 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.568 -9.872 -3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.901 -10.389 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.265 -12.211 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.529 -12.110 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.316 -13.793 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.368 -12.542 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.518 -13.328 -1.638 1.00 0.00 H new ATOM 159 N VAL A 13 -7.506 -5.452 -0.636 1.00 0.00 N ATOM 160 CA VAL A 13 -6.744 -4.473 0.129 1.00 0.00 C ATOM 161 C VAL A 13 -6.637 -4.951 1.580 1.00 0.00 C ATOM 162 O VAL A 13 -7.636 -5.209 2.246 1.00 0.00 O ATOM 163 CB VAL A 13 -7.329 -3.052 0.021 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.331 -2.545 -1.425 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.734 -2.920 0.619 1.00 0.00 C ATOM 0 H VAL A 13 -8.333 -5.076 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.743 -4.399 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.664 -2.428 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.751 -1.540 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.309 -2.524 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.934 -3.210 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.082 -1.893 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.416 -3.593 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.705 -3.180 1.677 1.00 0.00 H new ATOM 175 N SER A 14 -5.410 -5.092 2.073 1.00 0.00 N ATOM 176 CA SER A 14 -5.149 -5.615 3.407 1.00 0.00 C ATOM 177 C SER A 14 -5.281 -4.490 4.434 1.00 0.00 C ATOM 178 O SER A 14 -4.317 -4.197 5.133 1.00 0.00 O ATOM 179 CB SER A 14 -3.759 -6.261 3.410 1.00 0.00 C ATOM 180 OG SER A 14 -3.729 -7.319 2.470 1.00 0.00 O ATOM 0 H SER A 14 -4.567 -4.845 1.555 1.00 0.00 H new ATOM 0 HA SER A 14 -5.876 -6.379 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.000 -5.518 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.523 -6.638 4.405 1.00 0.00 H new ATOM 0 HG SER A 14 -2.840 -7.732 2.470 1.00 0.00 H new ATOM 185 N GLU A 15 -6.465 -3.863 4.470 1.00 0.00 N ATOM 186 CA GLU A 15 -6.793 -2.612 5.141 1.00 0.00 C ATOM 187 C GLU A 15 -6.007 -2.385 6.437 1.00 0.00 C ATOM 188 O GLU A 15 -4.996 -1.693 6.416 1.00 0.00 O ATOM 189 CB GLU A 15 -8.316 -2.564 5.332 1.00 0.00 C ATOM 190 CG GLU A 15 -8.774 -1.205 5.857 1.00 0.00 C ATOM 191 CD GLU A 15 -10.293 -1.123 5.906 1.00 0.00 C ATOM 192 OE1 GLU A 15 -10.876 -1.988 6.594 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.834 -0.218 5.239 1.00 0.00 O ATOM 0 H GLU A 15 -7.277 -4.254 3.991 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.481 -1.777 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.809 -2.773 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.621 -3.345 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.365 -1.040 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.384 -0.414 5.217 1.00 0.00 H new ATOM 198 N CYS A 16 -6.468 -2.986 7.538 1.00 0.00 N ATOM 199 CA CYS A 16 -5.833 -2.977 8.857 1.00 0.00 C ATOM 200 C CYS A 16 -5.903 -1.633 9.597 1.00 0.00 C ATOM 201 O CYS A 16 -6.257 -0.606 9.027 1.00 0.00 O ATOM 202 CB CYS A 16 -4.403 -3.551 8.812 1.00 0.00 C ATOM 203 SG CYS A 16 -3.055 -2.545 9.495 1.00 0.00 S ATOM 0 H CYS A 16 -7.338 -3.518 7.532 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.440 -3.649 9.464 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.409 -4.504 9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.163 -3.767 7.771 1.00 0.00 H new ATOM 207 N LEU A 17 -5.578 -1.667 10.896 1.00 0.00 N ATOM 208 CA LEU A 17 -5.298 -0.508 11.725 1.00 0.00 C ATOM 209 C LEU A 17 -3.780 -0.341 11.943 1.00 0.00 C ATOM 210 O LEU A 17 -3.221 0.722 11.681 1.00 0.00 O ATOM 211 CB LEU A 17 -6.063 -0.618 13.055 1.00 0.00 C ATOM 212 CG LEU A 17 -6.158 -2.025 13.678 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.140 -1.924 15.208 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.442 -2.751 13.252 1.00 0.00 C ATOM 0 H LEU A 17 -5.502 -2.544 11.411 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.644 0.389 11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.587 0.044 13.778 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.075 -0.245 12.899 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.299 -2.594 13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.208 -2.923 15.639 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.212 -1.451 15.531 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.987 -1.326 15.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.471 -3.739 13.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.310 -2.175 13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.458 -2.855 12.167 1.00 0.00 H new ATOM 225 N LEU A 18 -3.088 -1.372 12.449 1.00 0.00 N ATOM 226 CA LEU A 18 -1.693 -1.257 12.849 1.00 0.00 C ATOM 227 C LEU A 18 -0.747 -1.324 11.642 1.00 0.00 C ATOM 228 O LEU A 18 -0.184 -2.374 11.344 1.00 0.00 O ATOM 229 CB LEU A 18 -1.368 -2.290 13.939 1.00 0.00 C ATOM 230 CG LEU A 18 -1.764 -3.737 13.587 1.00 0.00 C ATOM 231 CD1 LEU A 18 -0.540 -4.647 13.625 1.00 0.00 C ATOM 232 CD2 LEU A 18 -2.799 -4.275 14.582 1.00 0.00 C ATOM 0 H LEU A 18 -3.484 -2.301 12.589 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.531 -0.271 13.285 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.298 -2.259 14.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.877 -2.001 14.859 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.191 -3.728 12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.836 -5.666 13.374 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.197 -4.295 12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.106 -4.631 14.625 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.064 -5.298 14.314 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.379 -4.261 15.588 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.691 -3.650 14.553 1.00 0.00 H new ATOM 243 N ASN A 19 -0.557 -0.174 10.988 1.00 0.00 N ATOM 244 CA ASN A 19 0.389 0.143 9.920 1.00 0.00 C ATOM 245 C ASN A 19 1.499 -0.883 9.669 1.00 0.00 C ATOM 246 O ASN A 19 1.652 -1.363 8.545 1.00 0.00 O ATOM 247 CB ASN A 19 0.988 1.520 10.225 1.00 0.00 C ATOM 248 CG ASN A 19 0.009 2.662 10.002 1.00 0.00 C ATOM 249 OD1 ASN A 19 -1.016 2.492 9.352 1.00 0.00 O ATOM 250 ND2 ASN A 19 0.346 3.846 10.491 1.00 0.00 N ATOM 0 H ASN A 19 -1.123 0.642 11.220 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.179 0.128 8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.329 1.539 11.260 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.866 1.674 9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.256 4.654 10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.207 3.950 11.028 1.00 0.00 H new ATOM 256 N ASN A 20 2.286 -1.199 10.704 1.00 0.00 N ATOM 257 CA ASN A 20 3.356 -2.195 10.658 1.00 0.00 C ATOM 258 C ASN A 20 2.962 -3.428 9.834 1.00 0.00 C ATOM 259 O ASN A 20 3.728 -3.871 8.979 1.00 0.00 O ATOM 260 CB ASN A 20 3.727 -2.608 12.088 1.00 0.00 C ATOM 261 CG ASN A 20 4.806 -3.692 12.118 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.593 -3.834 11.190 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.853 -4.473 13.194 1.00 0.00 N ATOM 0 H ASN A 20 2.192 -0.757 11.618 1.00 0.00 H new ATOM 0 HA ASN A 20 4.217 -1.743 10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.078 -1.734 12.637 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.837 -2.971 12.602 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.555 -5.210 13.259 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.187 -4.335 13.954 1.00 0.00 H new ATOM 269 N TYR A 21 1.764 -3.961 10.080 1.00 0.00 N ATOM 270 CA TYR A 21 1.229 -5.114 9.371 1.00 0.00 C ATOM 271 C TYR A 21 1.257 -4.908 7.855 1.00 0.00 C ATOM 272 O TYR A 21 1.679 -5.794 7.114 1.00 0.00 O ATOM 273 CB TYR A 21 -0.199 -5.388 9.854 1.00 0.00 C ATOM 274 CG TYR A 21 -0.885 -6.527 9.127 1.00 0.00 C ATOM 275 CD1 TYR A 21 -0.539 -7.857 9.424 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.823 -6.256 8.113 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.138 -8.914 8.720 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.440 -7.317 7.426 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.090 -8.644 7.722 1.00 0.00 C ATOM 280 OH TYR A 21 -2.664 -9.676 7.042 1.00 0.00 O ATOM 0 H TYR A 21 1.131 -3.594 10.791 1.00 0.00 H new ATOM 0 HA TYR A 21 1.859 -5.977 9.588 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.175 -5.613 10.920 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.793 -4.482 9.733 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.188 -8.066 10.195 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.069 -5.235 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.867 -9.935 8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.183 -7.111 6.670 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.301 -9.322 6.387 1.00 0.00 H new ATOM 289 N CYS A 22 0.816 -3.741 7.383 1.00 0.00 N ATOM 290 CA CYS A 22 0.814 -3.460 5.961 1.00 0.00 C ATOM 291 C CYS A 22 2.244 -3.456 5.463 1.00 0.00 C ATOM 292 O CYS A 22 2.536 -4.147 4.501 1.00 0.00 O ATOM 293 CB CYS A 22 0.099 -2.148 5.652 1.00 0.00 C ATOM 294 SG CYS A 22 -1.554 -2.411 4.981 1.00 0.00 S ATOM 0 H CYS A 22 0.459 -2.984 7.967 1.00 0.00 H new ATOM 0 HA CYS A 22 0.259 -4.238 5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.029 -1.552 6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.691 -1.573 4.939 1.00 0.00 H new ATOM 298 N ASN A 23 3.147 -2.740 6.136 1.00 0.00 N ATOM 299 CA ASN A 23 4.572 -2.768 5.804 1.00 0.00 C ATOM 300 C ASN A 23 5.097 -4.216 5.713 1.00 0.00 C ATOM 301 O ASN A 23 5.851 -4.557 4.801 1.00 0.00 O ATOM 302 CB ASN A 23 5.347 -1.885 6.798 1.00 0.00 C ATOM 303 CG ASN A 23 6.600 -2.553 7.355 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.695 -2.367 6.836 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.452 -3.329 8.423 1.00 0.00 N ATOM 0 H ASN A 23 2.914 -2.130 6.919 1.00 0.00 H new ATOM 0 HA ASN A 23 4.730 -2.346 4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.630 -0.956 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.689 -1.618 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.263 -3.790 8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.527 -3.464 8.831 1.00 0.00 H new ATOM 311 N ASN A 24 4.673 -5.085 6.634 1.00 0.00 N ATOM 312 CA ASN A 24 5.042 -6.478 6.636 1.00 0.00 C ATOM 313 C ASN A 24 4.608 -7.173 5.346 1.00 0.00 C ATOM 314 O ASN A 24 5.442 -7.728 4.638 1.00 0.00 O ATOM 315 CB ASN A 24 4.420 -7.129 7.871 1.00 0.00 C ATOM 316 CG ASN A 24 5.287 -8.280 8.319 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.024 -9.442 8.029 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.356 -7.928 9.022 1.00 0.00 N ATOM 0 H ASN A 24 4.056 -4.824 7.404 1.00 0.00 H new ATOM 0 HA ASN A 24 6.127 -6.576 6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.325 -6.397 8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.415 -7.483 7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.008 -8.641 9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.526 -6.945 9.234 1.00 0.00 H new ATOM 324 N ILE A 25 3.315 -7.146 5.019 1.00 0.00 N ATOM 325 CA ILE A 25 2.785 -7.803 3.830 1.00 0.00 C ATOM 326 C ILE A 25 3.451 -7.234 2.571 1.00 0.00 C ATOM 327 O ILE A 25 3.893 -7.974 1.697 1.00 0.00 O ATOM 328 CB ILE A 25 1.262 -7.587 3.814 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.583 -8.199 5.051 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.622 -8.095 2.518 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.424 -9.723 5.000 1.00 0.00 C ATOM 0 H ILE A 25 2.607 -6.666 5.574 1.00 0.00 H new ATOM 0 HA ILE A 25 2.999 -8.872 3.848 1.00 0.00 H new ATOM 0 HB ILE A 25 1.100 -6.510 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.163 -7.936 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.402 -7.747 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.454 -7.922 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.049 -7.563 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.814 -9.163 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.064 -10.069 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.183 -9.997 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.406 -10.189 4.915 1.00 0.00 H new ATOM 342 N CYS A 26 3.511 -5.909 2.508 1.00 0.00 N ATOM 343 CA CYS A 26 4.153 -5.099 1.482 1.00 0.00 C ATOM 344 C CYS A 26 5.519 -5.663 1.121 1.00 0.00 C ATOM 345 O CYS A 26 5.776 -5.997 -0.035 1.00 0.00 O ATOM 346 CB CYS A 26 4.281 -3.656 1.982 1.00 0.00 C ATOM 347 SG CYS A 26 2.780 -2.680 1.859 1.00 0.00 S ATOM 0 H CYS A 26 3.079 -5.330 3.228 1.00 0.00 H new ATOM 0 HA CYS A 26 3.539 -5.116 0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.601 -3.675 3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.068 -3.159 1.415 1.00 0.00 H new ATOM 351 N THR A 27 6.412 -5.770 2.105 1.00 0.00 N ATOM 352 CA THR A 27 7.734 -6.293 1.809 1.00 0.00 C ATOM 353 C THR A 27 7.656 -7.790 1.478 1.00 0.00 C ATOM 354 O THR A 27 8.269 -8.247 0.518 1.00 0.00 O ATOM 355 CB THR A 27 8.731 -5.894 2.911 1.00 0.00 C ATOM 356 OG1 THR A 27 10.034 -5.820 2.380 1.00 0.00 O ATOM 357 CG2 THR A 27 8.726 -6.835 4.106 1.00 0.00 C ATOM 0 H THR A 27 6.249 -5.511 3.078 1.00 0.00 H new ATOM 0 HA THR A 27 8.136 -5.836 0.905 1.00 0.00 H new ATOM 0 HB THR A 27 8.408 -4.918 3.274 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.121 -5.007 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.453 -6.492 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.733 -6.848 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.989 -7.841 3.778 1.00 0.00 H new ATOM 365 N LYS A 28 6.864 -8.560 2.232 1.00 0.00 N ATOM 366 CA LYS A 28 6.804 -10.007 2.127 1.00 0.00 C ATOM 367 C LYS A 28 6.444 -10.461 0.708 1.00 0.00 C ATOM 368 O LYS A 28 7.024 -11.425 0.208 1.00 0.00 O ATOM 369 CB LYS A 28 5.817 -10.524 3.189 1.00 0.00 C ATOM 370 CG LYS A 28 5.899 -12.032 3.455 1.00 0.00 C ATOM 371 CD LYS A 28 4.897 -12.793 2.580 1.00 0.00 C ATOM 372 CE LYS A 28 4.951 -14.313 2.791 1.00 0.00 C ATOM 373 NZ LYS A 28 4.547 -14.712 4.155 1.00 0.00 N ATOM 0 H LYS A 28 6.239 -8.180 2.943 1.00 0.00 H new ATOM 0 HA LYS A 28 7.787 -10.436 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.998 -9.993 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.803 -10.278 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.909 -12.387 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.696 -12.232 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.890 -12.437 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.095 -12.570 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.299 -14.800 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.964 -14.667 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.536 -15.750 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.224 -14.326 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.597 -14.341 4.358 1.00 0.00 H new ATOM 383 N VAL A 29 5.452 -9.818 0.086 1.00 0.00 N ATOM 384 CA VAL A 29 4.841 -10.231 -1.146 1.00 0.00 C ATOM 385 C VAL A 29 5.308 -9.354 -2.312 1.00 0.00 C ATOM 386 O VAL A 29 5.555 -9.875 -3.396 1.00 0.00 O ATOM 387 CB VAL A 29 3.327 -10.149 -0.908 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.586 -10.377 -2.209 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.853 -11.161 0.140 1.00 0.00 C ATOM 0 H VAL A 29 5.047 -8.959 0.457 1.00 0.00 H new ATOM 0 HA VAL A 29 5.125 -11.245 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 29 3.110 -9.151 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.512 -10.317 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.877 -9.615 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.835 -11.363 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.776 -11.067 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.089 -12.171 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.356 -10.967 1.087 1.00 0.00 H new ATOM 399 N TYR A 30 5.367 -8.031 -2.123 1.00 0.00 N ATOM 400 CA TYR A 30 5.600 -7.071 -3.178 1.00 0.00 C ATOM 401 C TYR A 30 7.029 -6.518 -3.147 1.00 0.00 C ATOM 402 O TYR A 30 7.424 -5.801 -4.066 1.00 0.00 O ATOM 403 CB TYR A 30 4.574 -5.948 -3.014 1.00 0.00 C ATOM 404 CG TYR A 30 3.128 -6.405 -2.978 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.393 -6.550 -4.170 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.547 -6.779 -1.753 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.117 -7.142 -4.139 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.291 -7.400 -1.728 1.00 0.00 C ATOM 409 CZ TYR A 30 0.608 -7.643 -2.929 1.00 0.00 C ATOM 410 OH TYR A 30 -0.500 -8.430 -2.913 1.00 0.00 O ATOM 0 H TYR A 30 5.250 -7.600 -1.206 1.00 0.00 H new ATOM 0 HA TYR A 30 5.486 -7.558 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.792 -5.408 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.696 -5.241 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.808 -6.207 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.071 -6.587 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.530 -7.211 -5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.850 -7.691 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.891 -8.463 -3.811 1.00 0.00 H new ATOM 419 N TYR A 31 7.786 -6.822 -2.084 1.00 0.00 N ATOM 420 CA TYR A 31 9.150 -6.351 -1.873 1.00 0.00 C ATOM 421 C TYR A 31 9.234 -4.832 -1.749 1.00 0.00 C ATOM 422 O TYR A 31 10.275 -4.236 -2.016 1.00 0.00 O ATOM 423 CB TYR A 31 10.128 -7.008 -2.833 1.00 0.00 C ATOM 424 CG TYR A 31 9.948 -8.515 -2.898 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.178 -9.271 -1.734 1.00 0.00 C ATOM 426 CD2 TYR A 31 9.216 -9.083 -3.957 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.528 -10.501 -1.554 1.00 0.00 C ATOM 428 CE2 TYR A 31 8.601 -10.336 -3.795 1.00 0.00 C ATOM 429 CZ TYR A 31 8.687 -11.002 -2.561 1.00 0.00 C ATOM 430 OH TYR A 31 7.881 -12.069 -2.298 1.00 0.00 O ATOM 0 H TYR A 31 7.451 -7.420 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 31 9.484 -6.690 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.996 -6.585 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.148 -6.779 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.856 -8.904 -0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.127 -8.555 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.674 -11.062 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.064 -10.786 -4.617 1.00 0.00 H new ATOM 0 HH TYR A 31 7.505 -11.981 -1.397 1.00 0.00 H new ATOM 439 N ALA A 32 8.156 -4.215 -1.254 1.00 0.00 N ATOM 440 CA ALA A 32 8.168 -2.825 -0.861 1.00 0.00 C ATOM 441 C ALA A 32 9.016 -2.624 0.400 1.00 0.00 C ATOM 442 O ALA A 32 9.163 -3.528 1.219 1.00 0.00 O ATOM 443 CB ALA A 32 6.715 -2.377 -0.717 1.00 0.00 C ATOM 0 H ALA A 32 7.256 -4.676 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 32 8.643 -2.197 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.685 -1.329 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.200 -2.499 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.221 -2.983 0.042 1.00 0.00 H new ATOM 449 N THR A 33 9.606 -1.438 0.535 1.00 0.00 N ATOM 450 CA THR A 33 10.487 -1.040 1.618 1.00 0.00 C ATOM 451 C THR A 33 9.678 -0.550 2.819 1.00 0.00 C ATOM 452 O THR A 33 10.110 -0.694 3.959 1.00 0.00 O ATOM 453 CB THR A 33 11.396 0.075 1.089 1.00 0.00 C ATOM 454 OG1 THR A 33 10.602 1.104 0.527 1.00 0.00 O ATOM 455 CG2 THR A 33 12.316 -0.466 -0.007 1.00 0.00 C ATOM 0 H THR A 33 9.471 -0.692 -0.148 1.00 0.00 H new ATOM 0 HA THR A 33 11.083 -1.889 1.953 1.00 0.00 H new ATOM 0 HB THR A 33 11.992 0.457 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.183 1.818 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.956 0.336 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.934 -1.266 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.714 -0.854 -0.829 1.00 0.00 H new ATOM 463 N SER A 34 8.521 0.062 2.555 1.00 0.00 N ATOM 464 CA SER A 34 7.599 0.553 3.569 1.00 0.00 C ATOM 465 C SER A 34 6.171 0.442 3.035 1.00 0.00 C ATOM 466 O SER A 34 5.948 -0.194 2.005 1.00 0.00 O ATOM 467 CB SER A 34 7.984 1.987 3.971 1.00 0.00 C ATOM 468 OG SER A 34 7.164 2.455 5.026 1.00 0.00 O ATOM 0 H SER A 34 8.196 0.232 1.603 1.00 0.00 H new ATOM 0 HA SER A 34 7.657 -0.050 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.029 2.014 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.888 2.648 3.110 1.00 0.00 H new ATOM 0 HG SER A 34 7.526 3.297 5.373 1.00 0.00 H new ATOM 473 N GLY A 35 5.214 1.059 3.727 1.00 0.00 N ATOM 474 CA GLY A 35 3.784 0.845 3.562 1.00 0.00 C ATOM 475 C GLY A 35 3.122 0.985 4.918 1.00 0.00 C ATOM 476 O GLY A 35 3.807 1.072 5.937 1.00 0.00 O ATOM 0 H GLY A 35 5.427 1.750 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.370 1.570 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.594 -0.145 3.147 1.00 0.00 H new ATOM 480 N TYR A 36 1.793 1.042 4.921 1.00 0.00 N ATOM 481 CA TYR A 36 0.999 1.305 6.107 1.00 0.00 C ATOM 482 C TYR A 36 -0.474 1.176 5.742 1.00 0.00 C ATOM 483 O TYR A 36 -0.817 0.976 4.576 1.00 0.00 O ATOM 484 CB TYR A 36 1.331 2.684 6.701 1.00 0.00 C ATOM 485 CG TYR A 36 1.283 3.828 5.720 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.052 4.273 5.203 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.469 4.489 5.371 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.031 5.277 4.226 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.432 5.543 4.452 1.00 0.00 C ATOM 490 CZ TYR A 36 1.232 5.866 3.806 1.00 0.00 C ATOM 491 OH TYR A 36 1.235 6.759 2.785 1.00 0.00 O ATOM 0 H TYR A 36 1.232 0.903 4.081 1.00 0.00 H new ATOM 0 HA TYR A 36 1.235 0.576 6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.633 2.891 7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.328 2.643 7.140 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.873 3.842 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.408 4.186 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.908 5.596 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.328 6.107 4.241 1.00 0.00 H new ATOM 0 HH TYR A 36 1.285 6.280 1.932 1.00 0.00 H new ATOM 500 N CYS A 37 -1.333 1.290 6.751 1.00 0.00 N ATOM 501 CA CYS A 37 -2.755 1.030 6.642 1.00 0.00 C ATOM 502 C CYS A 37 -3.422 2.372 6.344 1.00 0.00 C ATOM 503 O CYS A 37 -3.767 3.138 7.242 1.00 0.00 O ATOM 504 CB CYS A 37 -3.214 0.277 7.899 1.00 0.00 C ATOM 505 SG CYS A 37 -2.346 -1.325 7.975 1.00 0.00 S ATOM 0 H CYS A 37 -1.047 1.573 7.688 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.042 0.367 5.826 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.999 0.865 8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.292 0.121 7.873 1.00 0.00 H new ATOM 509 N CYS A 38 -3.488 2.695 5.048 1.00 0.00 N ATOM 510 CA CYS A 38 -4.014 3.944 4.509 1.00 0.00 C ATOM 511 C CYS A 38 -5.528 3.993 4.726 1.00 0.00 C ATOM 512 O CYS A 38 -6.131 2.958 4.995 1.00 0.00 O ATOM 513 CB CYS A 38 -3.667 4.018 3.013 1.00 0.00 C ATOM 514 SG CYS A 38 -4.280 5.456 2.102 1.00 0.00 S ATOM 0 H CYS A 38 -3.161 2.062 4.318 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.570 4.800 5.018 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.582 3.991 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.053 3.120 2.530 1.00 0.00 H new ATOM 518 N LEU A 39 -6.127 5.186 4.586 1.00 0.00 N ATOM 519 CA LEU A 39 -7.536 5.545 4.754 1.00 0.00 C ATOM 520 C LEU A 39 -8.501 4.360 4.892 1.00 0.00 C ATOM 521 O LEU A 39 -9.229 4.267 5.875 1.00 0.00 O ATOM 522 CB LEU A 39 -7.984 6.463 3.596 1.00 0.00 C ATOM 523 CG LEU A 39 -8.926 7.565 4.111 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.138 8.738 4.706 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.823 8.089 2.987 1.00 0.00 C ATOM 0 H LEU A 39 -5.576 6.004 4.326 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.590 6.067 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.111 6.914 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.490 5.873 2.832 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.544 7.118 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.832 9.500 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.531 8.383 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.490 9.166 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.479 8.867 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.204 8.502 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.425 7.271 2.591 1.00 0.00 H new ATOM 536 N LEU A 40 -8.526 3.497 3.873 1.00 0.00 N ATOM 537 CA LEU A 40 -9.288 2.259 3.860 1.00 0.00 C ATOM 538 C LEU A 40 -8.607 1.255 2.923 1.00 0.00 C ATOM 539 O LEU A 40 -9.259 0.585 2.121 1.00 0.00 O ATOM 540 CB LEU A 40 -10.765 2.548 3.520 1.00 0.00 C ATOM 541 CG LEU A 40 -11.056 3.465 2.323 1.00 0.00 C ATOM 542 CD1 LEU A 40 -11.333 2.709 1.019 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.241 4.385 2.636 1.00 0.00 C ATOM 0 H LEU A 40 -8.000 3.650 3.013 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.301 1.798 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.260 1.594 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.232 2.988 4.401 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.148 4.047 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.530 3.423 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.466 2.103 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.201 2.063 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.437 5.030 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.124 3.782 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.006 4.998 3.506 1.00 0.00 H new ATOM 554 N SER A 41 -7.268 1.202 2.927 1.00 0.00 N ATOM 555 CA SER A 41 -6.510 0.378 1.994 1.00 0.00 C ATOM 556 C SER A 41 -5.078 0.159 2.495 1.00 0.00 C ATOM 557 O SER A 41 -4.668 0.770 3.476 1.00 0.00 O ATOM 558 CB SER A 41 -6.459 1.056 0.621 1.00 0.00 C ATOM 559 OG SER A 41 -7.663 1.733 0.293 1.00 0.00 O ATOM 0 H SER A 41 -6.687 1.730 3.578 1.00 0.00 H new ATOM 0 HA SER A 41 -7.009 -0.588 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.632 1.766 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.251 0.305 -0.142 1.00 0.00 H new ATOM 0 HG SER A 41 -7.663 1.956 -0.661 1.00 0.00 H new ATOM 564 N CYS A 42 -4.299 -0.665 1.783 1.00 0.00 N ATOM 565 CA CYS A 42 -2.936 -1.010 2.171 1.00 0.00 C ATOM 566 C CYS A 42 -1.909 -0.440 1.207 1.00 0.00 C ATOM 567 O CYS A 42 -1.808 -0.859 0.050 1.00 0.00 O ATOM 568 CB CYS A 42 -2.796 -2.525 2.254 1.00 0.00 C ATOM 569 SG CYS A 42 -1.266 -3.072 3.034 1.00 0.00 S ATOM 0 H CYS A 42 -4.603 -1.111 0.918 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.743 -0.568 3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.641 -2.929 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.849 -2.941 1.248 1.00 0.00 H new ATOM 573 N TYR A 43 -1.167 0.541 1.709 1.00 0.00 N ATOM 574 CA TYR A 43 -0.134 1.228 0.977 1.00 0.00 C ATOM 575 C TYR A 43 1.160 0.486 1.125 1.00 0.00 C ATOM 576 O TYR A 43 1.428 -0.047 2.201 1.00 0.00 O ATOM 577 CB TYR A 43 0.110 2.599 1.598 1.00 0.00 C ATOM 578 CG TYR A 43 0.498 3.666 0.590 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.244 3.824 -0.597 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.745 4.299 0.705 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.316 4.485 -1.702 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.232 5.098 -0.341 1.00 0.00 C ATOM 583 CZ TYR A 43 1.501 5.207 -1.535 1.00 0.00 C ATOM 584 OH TYR A 43 1.956 5.975 -2.558 1.00 0.00 O ATOM 0 H TYR A 43 -1.278 0.882 2.664 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.448 1.303 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.792 2.917 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.899 2.514 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.249 3.434 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.332 4.171 1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.163 4.436 -2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.166 5.628 -0.228 1.00 0.00 H new ATOM 0 HH TYR A 43 2.160 6.874 -2.226 1.00 0.00 H new ATOM 593 N CYS A 44 1.982 0.578 0.089 1.00 0.00 N ATOM 594 CA CYS A 44 3.330 0.125 0.039 1.00 0.00 C ATOM 595 C CYS A 44 4.181 1.209 -0.636 1.00 0.00 C ATOM 596 O CYS A 44 3.634 2.047 -1.358 1.00 0.00 O ATOM 597 CB CYS A 44 3.297 -1.132 -0.786 1.00 0.00 C ATOM 598 SG CYS A 44 2.392 -2.572 -0.172 1.00 0.00 S ATOM 0 H CYS A 44 1.686 1.003 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 44 3.758 -0.070 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.880 -0.874 -1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.329 -1.441 -0.953 1.00 0.00 H new ATOM 602 N PHE A 45 5.506 1.160 -0.443 1.00 0.00 N ATOM 603 CA PHE A 45 6.508 1.953 -1.141 1.00 0.00 C ATOM 604 C PHE A 45 7.566 1.012 -1.694 1.00 0.00 C ATOM 605 O PHE A 45 8.065 0.175 -0.956 1.00 0.00 O ATOM 606 CB PHE A 45 7.216 2.899 -0.176 1.00 0.00 C ATOM 607 CG PHE A 45 6.378 4.043 0.338 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.493 3.802 1.396 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.560 5.354 -0.142 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.839 4.869 2.019 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.878 6.424 0.464 1.00 0.00 C ATOM 612 CZ PHE A 45 5.030 6.183 1.558 1.00 0.00 C ATOM 0 H PHE A 45 5.922 0.530 0.243 1.00 0.00 H new ATOM 0 HA PHE A 45 6.013 2.524 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.574 2.321 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.094 3.309 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.315 2.791 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.223 5.538 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.185 4.683 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.006 7.429 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.526 7.006 2.044 1.00 0.00 H new ATOM 621 N GLY A 46 7.930 1.165 -2.962 1.00 0.00 N ATOM 622 CA GLY A 46 8.889 0.327 -3.656 1.00 0.00 C ATOM 623 C GLY A 46 8.261 -0.984 -4.129 1.00 0.00 C ATOM 624 O GLY A 46 8.900 -2.025 -4.015 1.00 0.00 O ATOM 0 H GLY A 46 7.549 1.904 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.290 0.868 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.728 0.110 -2.994 1.00 0.00 H new ATOM 628 N LEU A 47 7.035 -0.961 -4.672 1.00 0.00 N ATOM 629 CA LEU A 47 6.366 -2.119 -5.228 1.00 0.00 C ATOM 630 C LEU A 47 7.116 -2.559 -6.485 1.00 0.00 C ATOM 631 O LEU A 47 6.756 -2.202 -7.603 1.00 0.00 O ATOM 632 CB LEU A 47 4.901 -1.762 -5.514 1.00 0.00 C ATOM 633 CG LEU A 47 4.164 -1.237 -4.265 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.552 0.122 -3.795 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.659 -1.167 -4.510 1.00 0.00 C ATOM 0 H LEU A 47 6.477 -0.109 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 47 6.368 -2.954 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.861 -1.007 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.383 -2.643 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 47 4.453 -1.958 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.968 0.382 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.613 0.131 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.360 0.849 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.162 -0.794 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.457 -0.495 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.282 -2.162 -4.746 1.00 0.00 H new ATOM 646 N ASP A 48 8.225 -3.258 -6.267 1.00 0.00 N ATOM 647 CA ASP A 48 9.133 -3.710 -7.311 1.00 0.00 C ATOM 648 C ASP A 48 8.414 -4.712 -8.202 1.00 0.00 C ATOM 649 O ASP A 48 8.411 -4.608 -9.425 1.00 0.00 O ATOM 650 CB ASP A 48 10.378 -4.335 -6.670 1.00 0.00 C ATOM 651 CG ASP A 48 11.528 -4.400 -7.663 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.886 -3.324 -8.191 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.074 -5.503 -7.864 1.00 0.00 O ATOM 0 H ASP A 48 8.524 -3.533 -5.331 1.00 0.00 H new ATOM 0 HA ASP A 48 9.450 -2.867 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.676 -3.750 -5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.143 -5.338 -6.314 1.00 0.00 H new ATOM 657 N ASP A 49 7.781 -5.671 -7.527 1.00 0.00 N ATOM 658 CA ASP A 49 6.976 -6.720 -8.126 1.00 0.00 C ATOM 659 C ASP A 49 5.740 -6.135 -8.829 1.00 0.00 C ATOM 660 O ASP A 49 5.600 -6.277 -10.040 1.00 0.00 O ATOM 661 CB ASP A 49 6.612 -7.696 -7.003 1.00 0.00 C ATOM 662 CG ASP A 49 5.816 -8.892 -7.484 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.768 -8.694 -8.134 1.00 0.00 O ATOM 664 OD2 ASP A 49 6.162 -10.035 -7.112 1.00 0.00 O ATOM 0 H ASP A 49 7.820 -5.736 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 49 7.527 -7.247 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.527 -8.046 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.037 -7.167 -6.243 1.00 0.00 H new ATOM 668 N ASP A 50 4.868 -5.480 -8.046 1.00 0.00 N ATOM 669 CA ASP A 50 3.582 -4.897 -8.432 1.00 0.00 C ATOM 670 C ASP A 50 2.809 -5.770 -9.429 1.00 0.00 C ATOM 671 O ASP A 50 2.852 -5.633 -10.652 1.00 0.00 O ATOM 672 CB ASP A 50 3.771 -3.502 -8.980 1.00 0.00 C ATOM 673 CG ASP A 50 2.492 -2.676 -9.091 1.00 0.00 C ATOM 674 OD1 ASP A 50 1.391 -3.271 -9.168 1.00 0.00 O ATOM 675 OD2 ASP A 50 2.637 -1.434 -9.051 1.00 0.00 O ATOM 0 H ASP A 50 5.062 -5.336 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 50 2.978 -4.844 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.476 -2.969 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.227 -3.574 -9.968 1.00 0.00 H new ATOM 679 N LYS A 51 2.043 -6.660 -8.831 1.00 0.00 N ATOM 680 CA LYS A 51 1.101 -7.526 -9.525 1.00 0.00 C ATOM 681 C LYS A 51 0.091 -6.679 -10.303 1.00 0.00 C ATOM 682 O LYS A 51 -0.134 -6.920 -11.488 1.00 0.00 O ATOM 683 CB LYS A 51 0.360 -8.474 -8.560 1.00 0.00 C ATOM 684 CG LYS A 51 1.192 -9.681 -8.100 1.00 0.00 C ATOM 685 CD LYS A 51 1.956 -9.398 -6.802 1.00 0.00 C ATOM 686 CE LYS A 51 2.818 -10.587 -6.345 1.00 0.00 C ATOM 687 NZ LYS A 51 3.806 -10.961 -7.373 1.00 0.00 N ATOM 0 H LYS A 51 2.056 -6.808 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 51 1.674 -8.146 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.046 -7.908 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.545 -8.836 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.535 -10.538 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.899 -9.952 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.594 -8.526 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.245 -9.147 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.333 -10.330 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.177 -11.441 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.517 -11.853 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.860 -10.211 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.739 -11.084 -6.930 1.00 0.00 H new ATOM 697 N ALA A 52 -0.551 -5.735 -9.611 1.00 0.00 N ATOM 698 CA ALA A 52 -1.643 -4.930 -10.135 1.00 0.00 C ATOM 699 C ALA A 52 -2.113 -3.943 -9.070 1.00 0.00 C ATOM 700 O ALA A 52 -3.204 -4.102 -8.522 1.00 0.00 O ATOM 701 CB ALA A 52 -2.815 -5.837 -10.545 1.00 0.00 C ATOM 0 H ALA A 52 -0.315 -5.508 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.291 -4.382 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.628 -5.226 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.483 -6.535 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.165 -6.394 -9.676 1.00 0.00 H new ATOM 707 N VAL A 53 -1.304 -2.934 -8.748 1.00 0.00 N ATOM 708 CA VAL A 53 -1.751 -1.955 -7.763 1.00 0.00 C ATOM 709 C VAL A 53 -3.032 -1.244 -8.190 1.00 0.00 C ATOM 710 O VAL A 53 -3.302 -1.050 -9.376 1.00 0.00 O ATOM 711 CB VAL A 53 -0.678 -0.924 -7.400 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.453 -1.617 -6.651 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.190 -0.128 -8.612 1.00 0.00 C ATOM 0 H VAL A 53 -0.374 -2.777 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.960 -2.539 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.121 -0.178 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.219 -0.886 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.062 -2.072 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.889 -2.390 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.569 0.587 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.238 -0.810 -9.347 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.029 0.406 -9.058 1.00 0.00 H new ATOM 723 N LEU A 54 -3.810 -0.829 -7.193 1.00 0.00 N ATOM 724 CA LEU A 54 -5.044 -0.102 -7.423 1.00 0.00 C ATOM 725 C LEU A 54 -4.786 1.325 -7.898 1.00 0.00 C ATOM 726 O LEU A 54 -3.668 1.840 -7.885 1.00 0.00 O ATOM 727 CB LEU A 54 -5.910 -0.126 -6.156 1.00 0.00 C ATOM 728 CG LEU A 54 -6.913 -1.290 -6.158 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.253 -2.635 -6.468 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.603 -1.354 -4.792 1.00 0.00 C ATOM 0 H LEU A 54 -3.599 -0.989 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.587 -0.601 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.266 -0.205 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.451 0.817 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.639 -1.103 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.007 -3.422 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.787 -2.593 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.494 -2.849 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.317 -2.177 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.856 -1.513 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.127 -0.417 -4.605 1.00 0.00 H new ATOM 741 N LYS A 55 -5.892 1.945 -8.301 1.00 0.00 N ATOM 742 CA LYS A 55 -6.024 3.313 -8.756 1.00 0.00 C ATOM 743 C LYS A 55 -6.790 4.035 -7.653 1.00 0.00 C ATOM 744 O LYS A 55 -7.859 3.566 -7.266 1.00 0.00 O ATOM 745 CB LYS A 55 -6.811 3.354 -10.074 1.00 0.00 C ATOM 746 CG LYS A 55 -6.122 2.564 -11.195 1.00 0.00 C ATOM 747 CD LYS A 55 -6.982 2.620 -12.465 1.00 0.00 C ATOM 748 CE LYS A 55 -6.335 1.811 -13.598 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.160 1.813 -14.825 1.00 0.00 N ATOM 0 H LYS A 55 -6.788 1.458 -8.316 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.057 3.779 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.810 2.949 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.935 4.391 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.134 2.980 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.976 1.529 -10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.977 2.227 -12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.109 3.656 -12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.352 2.225 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.181 0.784 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.685 1.255 -15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.090 1.395 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.286 2.791 -15.157 1.00 0.00 H new ATOM 759 N ILE A 56 -6.212 5.092 -7.080 1.00 0.00 N ATOM 760 CA ILE A 56 -6.603 5.566 -5.767 1.00 0.00 C ATOM 761 C ILE A 56 -7.052 7.028 -5.849 1.00 0.00 C ATOM 762 O ILE A 56 -6.539 7.790 -6.665 1.00 0.00 O ATOM 763 CB ILE A 56 -5.426 5.303 -4.811 1.00 0.00 C ATOM 764 CG1 ILE A 56 -4.238 6.240 -5.058 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.944 3.857 -4.991 1.00 0.00 C ATOM 766 CD1 ILE A 56 -3.081 5.996 -4.087 1.00 0.00 C ATOM 0 H ILE A 56 -5.466 5.635 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.468 5.033 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.790 5.483 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.883 6.108 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.571 7.274 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.110 3.665 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.760 3.171 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.619 3.707 -6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.268 6.687 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.424 6.155 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.725 4.971 -4.195 1.00 0.00 H new ATOM 777 N LYS A 57 -8.039 7.405 -5.028 1.00 0.00 N ATOM 778 CA LYS A 57 -8.585 8.761 -5.010 1.00 0.00 C ATOM 779 C LYS A 57 -7.467 9.766 -4.745 1.00 0.00 C ATOM 780 O LYS A 57 -6.570 9.469 -3.954 1.00 0.00 O ATOM 781 CB LYS A 57 -9.657 8.936 -3.920 1.00 0.00 C ATOM 782 CG LYS A 57 -10.604 7.739 -3.713 1.00 0.00 C ATOM 783 CD LYS A 57 -10.160 6.777 -2.589 1.00 0.00 C ATOM 784 CE LYS A 57 -10.561 7.282 -1.191 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.927 6.498 -0.104 1.00 0.00 N ATOM 0 H LYS A 57 -8.480 6.775 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.043 8.935 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.156 9.147 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.257 9.812 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.602 8.113 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.679 7.181 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.603 5.796 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.078 6.650 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.279 8.330 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.645 7.232 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.597 6.393 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.664 5.558 -0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.075 6.993 0.229 1.00 0.00 H new ATOM 795 N ASP A 58 -7.543 10.969 -5.326 1.00 0.00 N ATOM 796 CA ASP A 58 -6.466 11.942 -5.166 1.00 0.00 C ATOM 797 C ASP A 58 -6.233 12.187 -3.693 1.00 0.00 C ATOM 798 O ASP A 58 -5.151 11.965 -3.175 1.00 0.00 O ATOM 799 CB ASP A 58 -6.730 13.293 -5.832 1.00 0.00 C ATOM 800 CG ASP A 58 -5.437 14.107 -5.761 1.00 0.00 C ATOM 801 OD1 ASP A 58 -5.055 14.544 -4.651 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.732 14.189 -6.787 1.00 0.00 O ATOM 0 H ASP A 58 -8.325 11.285 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.597 11.506 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.038 13.155 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.540 13.817 -5.325 1.00 0.00 H new ATOM 806 N ALA A 59 -7.289 12.598 -3.004 1.00 0.00 N ATOM 807 CA ALA A 59 -7.214 12.856 -1.579 1.00 0.00 C ATOM 808 C ALA A 59 -6.574 11.694 -0.815 1.00 0.00 C ATOM 809 O ALA A 59 -5.831 11.935 0.132 1.00 0.00 O ATOM 810 CB ALA A 59 -8.603 13.191 -1.030 1.00 0.00 C ATOM 0 H ALA A 59 -8.209 12.759 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.564 13.718 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.534 13.383 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.989 14.077 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.276 12.352 -1.206 1.00 0.00 H new ATOM 816 N THR A 60 -6.812 10.441 -1.224 1.00 0.00 N ATOM 817 CA THR A 60 -6.182 9.306 -0.571 1.00 0.00 C ATOM 818 C THR A 60 -4.698 9.241 -0.954 1.00 0.00 C ATOM 819 O THR A 60 -3.874 8.973 -0.091 1.00 0.00 O ATOM 820 CB THR A 60 -6.977 8.021 -0.879 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.405 7.360 0.297 1.00 0.00 O ATOM 822 CG2 THR A 60 -6.247 7.010 -1.755 1.00 0.00 C ATOM 0 H THR A 60 -7.431 10.198 -1.997 1.00 0.00 H new ATOM 0 HA THR A 60 -6.204 9.420 0.513 1.00 0.00 H new ATOM 0 HB THR A 60 -7.834 8.389 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.195 6.405 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.885 6.141 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.006 7.467 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.327 6.698 -1.261 1.00 0.00 H new ATOM 830 N LYS A 61 -4.341 9.492 -2.220 1.00 0.00 N ATOM 831 CA LYS A 61 -2.956 9.552 -2.671 1.00 0.00 C ATOM 832 C LYS A 61 -2.212 10.589 -1.847 1.00 0.00 C ATOM 833 O LYS A 61 -1.215 10.303 -1.202 1.00 0.00 O ATOM 834 CB LYS A 61 -2.944 9.866 -4.180 1.00 0.00 C ATOM 835 CG LYS A 61 -1.877 10.809 -4.772 1.00 0.00 C ATOM 836 CD LYS A 61 -2.582 12.114 -5.155 1.00 0.00 C ATOM 837 CE LYS A 61 -1.660 13.266 -5.562 1.00 0.00 C ATOM 838 NZ LYS A 61 -2.416 14.536 -5.562 1.00 0.00 N ATOM 0 H LYS A 61 -5.018 9.660 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.446 8.599 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.861 8.915 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.919 10.285 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.087 10.998 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.406 10.356 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.265 11.909 -5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.190 12.439 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.819 13.333 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.245 13.079 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.754 15.334 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.070 14.551 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.957 14.618 -4.678 1.00 0.00 H new ATOM 848 N SER A 62 -2.729 11.802 -1.894 1.00 0.00 N ATOM 849 CA SER A 62 -2.170 12.959 -1.220 1.00 0.00 C ATOM 850 C SER A 62 -2.025 12.681 0.279 1.00 0.00 C ATOM 851 O SER A 62 -0.976 12.957 0.857 1.00 0.00 O ATOM 852 CB SER A 62 -3.035 14.195 -1.519 1.00 0.00 C ATOM 853 OG SER A 62 -3.107 14.447 -2.918 1.00 0.00 O ATOM 0 H SER A 62 -3.577 12.016 -2.419 1.00 0.00 H new ATOM 0 HA SER A 62 -1.168 13.165 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.039 14.044 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.619 15.065 -1.011 1.00 0.00 H new ATOM 0 HG SER A 62 -4.016 14.268 -3.236 1.00 0.00 H new ATOM 858 N TYR A 63 -3.055 12.103 0.905 1.00 0.00 N ATOM 859 CA TYR A 63 -2.972 11.674 2.294 1.00 0.00 C ATOM 860 C TYR A 63 -1.850 10.653 2.475 1.00 0.00 C ATOM 861 O TYR A 63 -1.108 10.716 3.451 1.00 0.00 O ATOM 862 CB TYR A 63 -4.300 11.053 2.746 1.00 0.00 C ATOM 863 CG TYR A 63 -4.335 10.643 4.212 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.866 11.518 5.212 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.745 9.345 4.568 1.00 0.00 C ATOM 866 CE1 TYR A 63 -3.707 11.059 6.531 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.576 8.882 5.885 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.036 9.736 6.862 1.00 0.00 C ATOM 869 OH TYR A 63 -3.820 9.285 8.129 1.00 0.00 O ATOM 0 H TYR A 63 -3.957 11.923 0.465 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.760 12.552 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.103 11.767 2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.505 10.177 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.629 12.542 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.192 8.701 3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.330 11.727 7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.860 7.873 6.145 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.102 8.349 8.195 1.00 0.00 H new ATOM 878 N CYS A 64 -1.783 9.683 1.563 1.00 0.00 N ATOM 879 CA CYS A 64 -0.961 8.485 1.678 1.00 0.00 C ATOM 880 C CYS A 64 0.196 8.460 0.675 1.00 0.00 C ATOM 881 O CYS A 64 0.486 7.401 0.125 1.00 0.00 O ATOM 882 CB CYS A 64 -1.833 7.226 1.534 1.00 0.00 C ATOM 883 SG CYS A 64 -3.138 7.056 2.772 1.00 0.00 S ATOM 0 H CYS A 64 -2.319 9.714 0.696 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.511 8.500 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.290 7.230 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.189 6.348 1.584 1.00 0.00 H new ATOM 887 N ASP A 65 0.894 9.581 0.453 1.00 0.00 N ATOM 888 CA ASP A 65 2.185 9.585 -0.236 1.00 0.00 C ATOM 889 C ASP A 65 3.286 10.092 0.696 1.00 0.00 C ATOM 890 O ASP A 65 4.131 9.327 1.157 1.00 0.00 O ATOM 891 CB ASP A 65 2.085 10.429 -1.506 1.00 0.00 C ATOM 892 CG ASP A 65 3.436 10.474 -2.206 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.787 9.458 -2.846 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.105 11.517 -2.054 1.00 0.00 O ATOM 0 H ASP A 65 0.579 10.506 0.746 1.00 0.00 H new ATOM 0 HA ASP A 65 2.448 8.567 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.333 10.009 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.761 11.439 -1.257 1.00 0.00 H new ATOM 898 N VAL A 66 3.238 11.387 1.017 1.00 0.00 N ATOM 899 CA VAL A 66 4.286 12.125 1.721 1.00 0.00 C ATOM 900 C VAL A 66 4.599 11.545 3.113 1.00 0.00 C ATOM 901 O VAL A 66 5.672 11.800 3.654 1.00 0.00 O ATOM 902 CB VAL A 66 3.884 13.614 1.784 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.907 14.476 2.539 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.734 14.197 0.370 1.00 0.00 C ATOM 0 H VAL A 66 2.436 11.972 0.784 1.00 0.00 H new ATOM 0 HA VAL A 66 5.217 12.025 1.164 1.00 0.00 H new ATOM 0 HB VAL A 66 2.936 13.642 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.571 15.513 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.003 14.114 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.874 14.414 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.450 15.247 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.682 14.111 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.963 13.647 -0.170 1.00 0.00 H new ATOM 914 N GLN A 67 3.675 10.765 3.681 1.00 0.00 N ATOM 915 CA GLN A 67 3.687 10.154 4.999 1.00 0.00 C ATOM 916 C GLN A 67 5.086 9.829 5.523 1.00 0.00 C ATOM 917 O GLN A 67 5.507 10.347 6.555 1.00 0.00 O ATOM 918 CB GLN A 67 2.821 8.892 4.885 1.00 0.00 C ATOM 919 CG GLN A 67 1.334 9.262 4.913 1.00 0.00 C ATOM 920 CD GLN A 67 0.792 9.666 6.237 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.353 9.440 7.304 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.406 10.190 6.115 1.00 0.00 N ATOM 0 H GLN A 67 2.822 10.527 3.175 1.00 0.00 H new ATOM 0 HA GLN A 67 3.294 10.859 5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.054 8.365 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.049 8.211 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.169 10.078 4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.760 8.409 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.802 10.346 5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.940 10.441 6.947 1.00 0.00 H new ATOM 929 N ILE A 68 5.804 8.955 4.820 1.00 0.00 N ATOM 930 CA ILE A 68 7.100 8.474 5.255 1.00 0.00 C ATOM 931 C ILE A 68 8.154 9.588 5.214 1.00 0.00 C ATOM 932 O ILE A 68 9.089 9.583 6.011 1.00 0.00 O ATOM 933 CB ILE A 68 7.458 7.255 4.401 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.445 6.120 4.619 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.877 6.769 4.675 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.279 5.594 6.052 1.00 0.00 C ATOM 0 H ILE A 68 5.496 8.563 3.930 1.00 0.00 H new ATOM 0 HA ILE A 68 7.069 8.165 6.300 1.00 0.00 H new ATOM 0 HB ILE A 68 7.413 7.565 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.471 6.465 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.733 5.283 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.092 5.903 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.585 7.566 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.970 6.490 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.535 4.797 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.233 5.206 6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.951 6.405 6.702 1.00 0.00 H new ATOM 947 N ILE A 69 8.008 10.548 4.297 1.00 0.00 N ATOM 948 CA ILE A 69 8.876 11.710 4.211 1.00 0.00 C ATOM 949 C ILE A 69 8.405 12.720 5.257 1.00 0.00 C ATOM 950 O ILE A 69 9.215 13.427 5.857 1.00 0.00 O ATOM 951 CB ILE A 69 8.828 12.296 2.787 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.999 11.225 1.692 1.00 0.00 C ATOM 953 CG2 ILE A 69 9.868 13.414 2.622 1.00 0.00 C ATOM 954 CD1 ILE A 69 10.300 10.420 1.795 1.00 0.00 C ATOM 0 H ILE A 69 7.274 10.534 3.589 1.00 0.00 H new ATOM 0 HA ILE A 69 9.914 11.443 4.411 1.00 0.00 H new ATOM 0 HB ILE A 69 7.832 12.718 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.155 10.537 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.962 11.710 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.816 13.813 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.662 14.211 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.865 13.013 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.340 9.689 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.152 11.095 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.333 9.903 2.754 1.00 0.00 H new TER 965 ILE A 69