USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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 51 TYR OH : rot 141:sc= 0.582 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.593 K(o=1.2,f=0.46) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.909 X(o=1.7,f=1.3) USER MOD Set 2.2: A 60 THR OG1 : rot -4:sc= 0.788 USER MOD Set 3.1: A 14 GLN : amide:sc= 0.943 K(o=2,f=-2.5) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0) USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 12 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.4!) USER MOD Set 5.1: A 1 GLY N :NH3+ -178:sc= 0.604 (180deg=0) USER MOD Set 5.2: A 3 HIS : no HE2:sc= 0.657 K(o=1.3,f=-1.8) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -168:sc= 0 (180deg=-0.0722) USER MOD Single : A 5 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.972 K(o=0.97,f=-0.036) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.794) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 1.7 (180deg=1.63) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0.424 (180deg=0.353) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.12) USER MOD Single : A 47 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.89) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.16) USER MOD Single : A 65 TYR OH : rot -36:sc= 0.602 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0.954 (180deg=0.879) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.993) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.275 -17.247 -6.438 1.00 10.00 N ATOM 2 CA GLY A 1 -8.197 -17.560 -4.992 1.00 10.00 C ATOM 3 C GLY A 1 -8.808 -16.461 -4.131 1.00 10.00 C ATOM 4 O GLY A 1 -9.576 -15.630 -4.618 1.00 10.00 O ATOM 0 H1 GLY A 1 -7.878 -18.037 -6.986 1.00 10.00 H new ATOM 0 H2 GLY A 1 -9.269 -17.102 -6.709 1.00 10.00 H new ATOM 0 H3 GLY A 1 -7.733 -16.382 -6.636 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -8.712 -18.500 -4.797 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -7.154 -17.703 -4.709 1.00 10.00 H new ATOM 10 N SER A 2 -8.470 -16.447 -2.837 1.00 10.00 N ATOM 11 CA SER A 2 -9.009 -15.520 -1.815 1.00 10.00 C ATOM 12 C SER A 2 -8.490 -14.068 -1.901 1.00 10.00 C ATOM 13 O SER A 2 -8.887 -13.218 -1.099 1.00 10.00 O ATOM 14 CB SER A 2 -8.713 -16.072 -0.412 1.00 10.00 C ATOM 15 OG SER A 2 -9.212 -17.396 -0.279 1.00 10.00 O ATOM 0 H SER A 2 -7.790 -17.101 -2.451 1.00 10.00 H new ATOM 0 HA SER A 2 -10.079 -15.466 -2.016 1.00 10.00 H new ATOM 0 HB2 SER A 2 -7.638 -16.063 -0.231 1.00 10.00 H new ATOM 0 HB3 SER A 2 -9.168 -15.429 0.341 1.00 10.00 H new ATOM 0 HG SER A 2 -9.013 -17.732 0.620 1.00 10.00 H new ATOM 21 N HIS A 3 -7.602 -13.771 -2.855 1.00 10.00 N ATOM 22 CA HIS A 3 -7.032 -12.445 -3.117 1.00 10.00 C ATOM 23 C HIS A 3 -8.079 -11.342 -3.388 1.00 10.00 C ATOM 24 O HIS A 3 -9.179 -11.596 -3.890 1.00 10.00 O ATOM 25 CB HIS A 3 -6.037 -12.565 -4.285 1.00 10.00 C ATOM 26 CG HIS A 3 -6.603 -13.214 -5.532 1.00 10.00 C ATOM 27 ND1 HIS A 3 -7.855 -13.008 -6.072 1.00 10.00 N ATOM 28 CD2 HIS A 3 -5.988 -14.162 -6.306 1.00 10.00 C ATOM 29 CE1 HIS A 3 -7.994 -13.804 -7.142 1.00 10.00 C ATOM 30 NE2 HIS A 3 -6.884 -14.547 -7.316 1.00 10.00 N ATOM 0 H HIS A 3 -7.245 -14.480 -3.495 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.526 -12.122 -2.207 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -5.676 -11.569 -4.542 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.173 -13.141 -3.952 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -8.557 -12.359 -5.717 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -4.989 -14.546 -6.164 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -8.869 -13.844 -7.773 1.00 10.00 H new ATOM 38 N MET A 4 -7.685 -10.096 -3.128 1.00 10.00 N ATOM 39 CA MET A 4 -8.451 -8.864 -3.334 1.00 10.00 C ATOM 40 C MET A 4 -7.521 -7.765 -3.875 1.00 10.00 C ATOM 41 O MET A 4 -6.312 -7.798 -3.634 1.00 10.00 O ATOM 42 CB MET A 4 -9.082 -8.474 -1.985 1.00 10.00 C ATOM 43 CG MET A 4 -9.955 -7.221 -2.056 1.00 10.00 C ATOM 44 SD MET A 4 -10.893 -6.898 -0.540 1.00 10.00 S ATOM 45 CE MET A 4 -11.764 -5.403 -1.075 1.00 10.00 C ATOM 0 H MET A 4 -6.760 -9.906 -2.742 1.00 10.00 H new ATOM 0 HA MET A 4 -9.244 -9.004 -4.069 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.685 -9.306 -1.621 1.00 10.00 H new ATOM 0 HB3 MET A 4 -8.288 -8.313 -1.255 1.00 10.00 H new ATOM 0 HG2 MET A 4 -9.322 -6.360 -2.271 1.00 10.00 H new ATOM 0 HG3 MET A 4 -10.651 -7.321 -2.889 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.232 -4.926 -0.213 1.00 10.00 H new ATOM 0 HE2 MET A 4 -11.055 -4.712 -1.531 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.530 -5.669 -1.803 1.00 10.00 H new ATOM 55 N GLN A 5 -8.066 -6.781 -4.594 1.00 10.00 N ATOM 56 CA GLN A 5 -7.273 -5.734 -5.252 1.00 10.00 C ATOM 57 C GLN A 5 -7.246 -4.430 -4.437 1.00 10.00 C ATOM 58 O GLN A 5 -8.162 -4.150 -3.660 1.00 10.00 O ATOM 59 CB GLN A 5 -7.769 -5.462 -6.682 1.00 10.00 C ATOM 60 CG GLN A 5 -8.008 -6.723 -7.528 1.00 10.00 C ATOM 61 CD GLN A 5 -8.240 -6.382 -8.999 1.00 10.00 C ATOM 62 OE1 GLN A 5 -7.375 -6.551 -9.848 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.402 -5.883 -9.370 1.00 10.00 N ATOM 0 H GLN A 5 -9.071 -6.686 -4.738 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.252 -6.111 -5.310 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -8.698 -4.895 -6.628 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -7.040 -4.832 -7.191 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.149 -7.388 -7.440 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -8.871 -7.264 -7.139 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -10.137 -5.734 -8.679 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -9.566 -5.646 -10.348 1.00 10.00 H new ATOM 72 N VAL A 6 -6.192 -3.628 -4.615 1.00 10.00 N ATOM 73 CA VAL A 6 -6.064 -2.275 -4.042 1.00 10.00 C ATOM 74 C VAL A 6 -5.482 -1.322 -5.096 1.00 10.00 C ATOM 75 O VAL A 6 -4.631 -1.713 -5.896 1.00 10.00 O ATOM 76 CB VAL A 6 -5.192 -2.283 -2.759 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.242 -0.926 -2.045 1.00 10.00 C ATOM 78 CG2 VAL A 6 -5.640 -3.332 -1.728 1.00 10.00 C ATOM 0 H VAL A 6 -5.384 -3.903 -5.173 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.055 -1.925 -3.754 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.187 -2.518 -3.109 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -4.621 -0.963 -1.150 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -4.870 -0.149 -2.713 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.271 -0.700 -1.764 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -4.989 -3.285 -0.855 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -6.668 -3.129 -1.426 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.581 -4.326 -2.171 1.00 10.00 H new ATOM 88 N THR A 7 -5.918 -0.059 -5.084 1.00 10.00 N ATOM 89 CA THR A 7 -5.426 1.017 -5.965 1.00 10.00 C ATOM 90 C THR A 7 -4.557 1.973 -5.151 1.00 10.00 C ATOM 91 O THR A 7 -4.972 2.428 -4.086 1.00 10.00 O ATOM 92 CB THR A 7 -6.607 1.772 -6.601 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.363 0.878 -7.392 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.175 2.924 -7.511 1.00 10.00 C ATOM 0 H THR A 7 -6.645 0.258 -4.443 1.00 10.00 H new ATOM 0 HA THR A 7 -4.830 0.583 -6.768 1.00 10.00 H new ATOM 0 HB THR A 7 -7.182 2.186 -5.773 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.117 1.356 -7.797 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.058 3.411 -7.925 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.598 3.647 -6.934 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.561 2.535 -8.323 1.00 10.00 H new ATOM 102 N LEU A 8 -3.354 2.275 -5.641 1.00 10.00 N ATOM 103 CA LEU A 8 -2.297 3.003 -4.934 1.00 10.00 C ATOM 104 C LEU A 8 -1.882 4.268 -5.691 1.00 10.00 C ATOM 105 O LEU A 8 -1.450 4.182 -6.842 1.00 10.00 O ATOM 106 CB LEU A 8 -1.041 2.124 -4.756 1.00 10.00 C ATOM 107 CG LEU A 8 -1.222 0.737 -4.128 1.00 10.00 C ATOM 108 CD1 LEU A 8 0.150 0.185 -3.763 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.028 0.760 -2.833 1.00 10.00 C ATOM 0 H LEU A 8 -3.076 2.007 -6.585 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.707 3.274 -3.961 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.584 1.991 -5.737 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.328 2.678 -4.145 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.753 0.133 -4.864 1.00 10.00 H new ATOM 0 HD11 LEU A 8 0.038 -0.802 -3.315 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.762 0.108 -4.662 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.634 0.854 -3.051 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.118 -0.254 -2.442 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.521 1.388 -2.100 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.022 1.162 -3.030 1.00 10.00 H new ATOM 121 N LYS A 9 -1.937 5.421 -5.020 1.00 10.00 N ATOM 122 CA LYS A 9 -1.372 6.706 -5.468 1.00 10.00 C ATOM 123 C LYS A 9 -0.021 6.957 -4.793 1.00 10.00 C ATOM 124 O LYS A 9 0.257 6.395 -3.733 1.00 10.00 O ATOM 125 CB LYS A 9 -2.323 7.861 -5.106 1.00 10.00 C ATOM 126 CG LYS A 9 -3.664 7.790 -5.847 1.00 10.00 C ATOM 127 CD LYS A 9 -4.575 8.991 -5.555 1.00 10.00 C ATOM 128 CE LYS A 9 -4.065 10.273 -6.228 1.00 10.00 C ATOM 129 NZ LYS A 9 -4.998 11.409 -6.007 1.00 10.00 N ATOM 0 H LYS A 9 -2.395 5.493 -4.111 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.241 6.659 -6.549 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.507 7.849 -4.032 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.837 8.809 -5.336 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.478 7.735 -6.920 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.180 6.872 -5.565 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -5.584 8.774 -5.904 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.637 9.146 -4.478 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -3.081 10.526 -5.833 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -3.945 10.101 -7.298 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.625 12.260 -6.474 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -5.930 11.175 -6.405 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.093 11.587 -4.987 1.00 10.00 H new ATOM 143 N THR A 10 0.797 7.847 -5.352 1.00 10.00 N ATOM 144 CA THR A 10 2.130 8.183 -4.810 1.00 10.00 C ATOM 145 C THR A 10 2.423 9.686 -4.855 1.00 10.00 C ATOM 146 O THR A 10 1.758 10.451 -5.562 1.00 10.00 O ATOM 147 CB THR A 10 3.247 7.423 -5.551 1.00 10.00 C ATOM 148 OG1 THR A 10 3.402 7.941 -6.853 1.00 10.00 O ATOM 149 CG2 THR A 10 3.000 5.922 -5.692 1.00 10.00 C ATOM 0 H THR A 10 0.560 8.363 -6.199 1.00 10.00 H new ATOM 0 HA THR A 10 2.113 7.873 -3.765 1.00 10.00 H new ATOM 0 HB THR A 10 4.137 7.563 -4.938 1.00 10.00 H new ATOM 0 HG1 THR A 10 4.115 7.454 -7.316 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.834 5.465 -6.225 1.00 10.00 H new ATOM 0 HG22 THR A 10 2.912 5.473 -4.703 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.078 5.756 -6.249 1.00 10.00 H new ATOM 157 N LEU A 11 3.456 10.120 -4.119 1.00 10.00 N ATOM 158 CA LEU A 11 3.954 11.506 -4.116 1.00 10.00 C ATOM 159 C LEU A 11 4.405 11.996 -5.509 1.00 10.00 C ATOM 160 O LEU A 11 4.404 13.197 -5.779 1.00 10.00 O ATOM 161 CB LEU A 11 5.114 11.635 -3.106 1.00 10.00 C ATOM 162 CG LEU A 11 4.781 11.260 -1.648 1.00 10.00 C ATOM 163 CD1 LEU A 11 6.026 11.437 -0.777 1.00 10.00 C ATOM 164 CD2 LEU A 11 3.657 12.110 -1.057 1.00 10.00 C ATOM 0 H LEU A 11 3.980 9.506 -3.496 1.00 10.00 H new ATOM 0 HA LEU A 11 3.121 12.144 -3.821 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.937 11.005 -3.444 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.473 12.664 -3.123 1.00 10.00 H new ATOM 0 HG LEU A 11 4.447 10.222 -1.660 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.790 11.172 0.254 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.822 10.790 -1.145 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.354 12.476 -0.818 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.468 11.800 -0.029 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.949 13.160 -1.071 1.00 10.00 H new ATOM 0 HD23 LEU A 11 2.751 11.978 -1.649 1.00 10.00 H new ATOM 176 N GLN A 12 4.735 11.072 -6.414 1.00 10.00 N ATOM 177 CA GLN A 12 5.146 11.315 -7.800 1.00 10.00 C ATOM 178 C GLN A 12 3.963 11.586 -8.764 1.00 10.00 C ATOM 179 O GLN A 12 4.163 11.656 -9.979 1.00 10.00 O ATOM 180 CB GLN A 12 5.989 10.118 -8.280 1.00 10.00 C ATOM 181 CG GLN A 12 7.352 9.954 -7.573 1.00 10.00 C ATOM 182 CD GLN A 12 7.302 9.459 -6.124 1.00 10.00 C ATOM 183 OE1 GLN A 12 6.352 8.846 -5.659 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.326 9.719 -5.340 1.00 10.00 N ATOM 0 H GLN A 12 4.722 10.078 -6.187 1.00 10.00 H new ATOM 0 HA GLN A 12 5.738 12.230 -7.814 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.411 9.205 -8.137 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.162 10.221 -9.351 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.958 9.258 -8.153 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.866 10.915 -7.590 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.131 10.229 -5.704 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.315 9.411 -4.368 1.00 10.00 H new ATOM 193 N GLN A 13 2.740 11.761 -8.244 1.00 10.00 N ATOM 194 CA GLN A 13 1.529 12.138 -9.000 1.00 10.00 C ATOM 195 C GLN A 13 1.125 11.097 -10.066 1.00 10.00 C ATOM 196 O GLN A 13 0.843 11.426 -11.222 1.00 10.00 O ATOM 197 CB GLN A 13 1.633 13.582 -9.547 1.00 10.00 C ATOM 198 CG GLN A 13 2.085 14.636 -8.521 1.00 10.00 C ATOM 199 CD GLN A 13 1.227 14.639 -7.257 1.00 10.00 C ATOM 200 OE1 GLN A 13 0.053 14.987 -7.264 1.00 10.00 O ATOM 201 NE2 GLN A 13 1.772 14.236 -6.129 1.00 10.00 N ATOM 0 H GLN A 13 2.556 11.640 -7.248 1.00 10.00 H new ATOM 0 HA GLN A 13 0.699 12.133 -8.294 1.00 10.00 H new ATOM 0 HB2 GLN A 13 2.332 13.588 -10.383 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.661 13.875 -9.942 1.00 10.00 H new ATOM 0 HG2 GLN A 13 3.124 14.449 -8.249 1.00 10.00 H new ATOM 0 HG3 GLN A 13 2.049 15.623 -8.981 1.00 10.00 H new ATOM 0 HE21 GLN A 13 2.749 13.944 -6.111 1.00 10.00 H new ATOM 0 HE22 GLN A 13 1.217 14.216 -5.273 1.00 10.00 H new ATOM 210 N GLN A 14 1.106 9.824 -9.666 1.00 10.00 N ATOM 211 CA GLN A 14 0.722 8.667 -10.486 1.00 10.00 C ATOM 212 C GLN A 14 -0.105 7.669 -9.661 1.00 10.00 C ATOM 213 O GLN A 14 -0.088 7.716 -8.427 1.00 10.00 O ATOM 214 CB GLN A 14 1.977 8.003 -11.093 1.00 10.00 C ATOM 215 CG GLN A 14 3.028 7.568 -10.056 1.00 10.00 C ATOM 216 CD GLN A 14 4.241 6.901 -10.699 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.420 5.687 -10.657 1.00 10.00 O ATOM 218 NE2 GLN A 14 5.127 7.655 -11.316 1.00 10.00 N ATOM 0 H GLN A 14 1.370 9.556 -8.718 1.00 10.00 H new ATOM 0 HA GLN A 14 0.094 9.009 -11.309 1.00 10.00 H new ATOM 0 HB2 GLN A 14 1.669 7.130 -11.669 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.440 8.699 -11.792 1.00 10.00 H new ATOM 0 HG2 GLN A 14 3.355 8.439 -9.487 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.571 6.878 -9.347 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.994 8.665 -11.361 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.946 7.229 -11.749 1.00 10.00 H new ATOM 227 N THR A 15 -0.800 6.750 -10.342 1.00 10.00 N ATOM 228 CA THR A 15 -1.627 5.702 -9.717 1.00 10.00 C ATOM 229 C THR A 15 -1.447 4.362 -10.438 1.00 10.00 C ATOM 230 O THR A 15 -1.286 4.322 -11.660 1.00 10.00 O ATOM 231 CB THR A 15 -3.130 6.070 -9.700 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.353 7.459 -9.535 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.891 5.373 -8.573 1.00 10.00 C ATOM 0 H THR A 15 -0.806 6.710 -11.361 1.00 10.00 H new ATOM 0 HA THR A 15 -1.285 5.615 -8.686 1.00 10.00 H new ATOM 0 HB THR A 15 -3.494 5.739 -10.673 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.317 7.638 -9.533 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.940 5.666 -8.607 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.812 4.293 -8.694 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.464 5.662 -7.613 1.00 10.00 H new ATOM 241 N PHE A 16 -1.505 3.259 -9.691 1.00 10.00 N ATOM 242 CA PHE A 16 -1.469 1.875 -10.177 1.00 10.00 C ATOM 243 C PHE A 16 -2.312 0.990 -9.254 1.00 10.00 C ATOM 244 O PHE A 16 -2.756 1.439 -8.199 1.00 10.00 O ATOM 245 CB PHE A 16 -0.018 1.369 -10.254 1.00 10.00 C ATOM 246 CG PHE A 16 0.734 1.314 -8.934 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.331 2.486 -8.427 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.875 0.099 -8.226 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.071 2.448 -7.233 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.669 0.055 -7.072 1.00 10.00 C ATOM 251 CZ PHE A 16 2.266 1.226 -6.569 1.00 10.00 C ATOM 0 H PHE A 16 -1.583 3.307 -8.675 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.888 1.833 -11.182 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.024 0.370 -10.689 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.535 2.011 -10.939 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.219 3.419 -8.959 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.373 -0.792 -8.573 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.489 3.357 -6.827 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.824 -0.886 -6.564 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.872 1.185 -5.676 1.00 10.00 H new ATOM 261 N LYS A 17 -2.571 -0.260 -9.636 1.00 10.00 N ATOM 262 CA LYS A 17 -3.355 -1.212 -8.847 1.00 10.00 C ATOM 263 C LYS A 17 -2.805 -2.631 -8.938 1.00 10.00 C ATOM 264 O LYS A 17 -2.315 -3.067 -9.981 1.00 10.00 O ATOM 265 CB LYS A 17 -4.843 -1.092 -9.208 1.00 10.00 C ATOM 266 CG LYS A 17 -5.148 -1.140 -10.712 1.00 10.00 C ATOM 267 CD LYS A 17 -6.596 -0.696 -10.929 1.00 10.00 C ATOM 268 CE LYS A 17 -6.965 -0.766 -12.417 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.360 -0.312 -12.654 1.00 10.00 N ATOM 0 H LYS A 17 -2.236 -0.647 -10.518 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.263 -0.956 -7.792 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -5.388 -1.898 -8.716 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.226 -0.155 -8.804 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.466 -0.488 -11.258 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.000 -2.149 -11.096 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -7.267 -1.332 -10.352 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.729 0.322 -10.563 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -6.277 -0.147 -12.993 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -6.849 -1.789 -12.774 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.577 -0.372 -13.669 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -9.017 -0.918 -12.123 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -8.463 0.673 -12.335 1.00 10.00 H new ATOM 283 N ILE A 18 -2.863 -3.314 -7.804 1.00 10.00 N ATOM 284 CA ILE A 18 -2.250 -4.609 -7.502 1.00 10.00 C ATOM 285 C ILE A 18 -3.216 -5.462 -6.659 1.00 10.00 C ATOM 286 O ILE A 18 -4.310 -5.010 -6.321 1.00 10.00 O ATOM 287 CB ILE A 18 -0.880 -4.389 -6.807 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.731 -3.139 -5.908 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.240 -4.348 -7.861 1.00 10.00 C ATOM 290 CD1 ILE A 18 -1.713 -3.122 -4.739 1.00 10.00 C ATOM 0 H ILE A 18 -3.381 -2.951 -7.004 1.00 10.00 H new ATOM 0 HA ILE A 18 -2.060 -5.160 -8.423 1.00 10.00 H new ATOM 0 HB ILE A 18 -0.808 -5.240 -6.130 1.00 10.00 H new ATOM 0 HG12 ILE A 18 0.287 -3.097 -5.520 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -0.879 -2.244 -6.512 1.00 10.00 H new ATOM 0 HG21 ILE A 18 1.199 -4.193 -7.367 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.261 -5.291 -8.407 1.00 10.00 H new ATOM 0 HG23 ILE A 18 0.055 -3.530 -8.557 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -1.558 -2.220 -4.147 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -2.734 -3.134 -5.121 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -1.549 -4.000 -4.114 1.00 10.00 H new ATOM 302 N ASP A 19 -2.830 -6.688 -6.298 1.00 10.00 N ATOM 303 CA ASP A 19 -3.659 -7.621 -5.526 1.00 10.00 C ATOM 304 C ASP A 19 -2.836 -8.383 -4.476 1.00 10.00 C ATOM 305 O ASP A 19 -1.668 -8.706 -4.707 1.00 10.00 O ATOM 306 CB ASP A 19 -4.394 -8.584 -6.472 1.00 10.00 C ATOM 307 CG ASP A 19 -3.469 -9.629 -7.125 1.00 10.00 C ATOM 308 OD1 ASP A 19 -2.764 -9.294 -8.107 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.467 -10.800 -6.673 1.00 10.00 O ATOM 0 H ASP A 19 -1.915 -7.069 -6.538 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.402 -7.040 -4.979 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.177 -9.100 -5.916 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -4.887 -8.007 -7.255 1.00 10.00 H new ATOM 314 N ILE A 20 -3.448 -8.622 -3.313 1.00 10.00 N ATOM 315 CA ILE A 20 -2.918 -9.396 -2.174 1.00 10.00 C ATOM 316 C ILE A 20 -4.061 -10.149 -1.462 1.00 10.00 C ATOM 317 O ILE A 20 -5.236 -9.880 -1.708 1.00 10.00 O ATOM 318 CB ILE A 20 -2.129 -8.507 -1.172 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.976 -7.565 -0.283 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.982 -7.736 -1.852 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.904 -6.571 -0.990 1.00 10.00 C ATOM 0 H ILE A 20 -4.383 -8.261 -3.124 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.210 -10.123 -2.573 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.709 -9.235 -0.479 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.585 -8.183 0.377 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -2.295 -6.997 0.350 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.461 -7.130 -1.111 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.283 -8.443 -2.298 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.389 -7.089 -2.629 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.435 -5.977 -0.246 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.314 -5.912 -1.627 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.624 -7.116 -1.600 1.00 10.00 H new ATOM 333 N ASP A 21 -3.756 -11.063 -0.539 1.00 10.00 N ATOM 334 CA ASP A 21 -4.767 -11.605 0.386 1.00 10.00 C ATOM 335 C ASP A 21 -5.147 -10.548 1.456 1.00 10.00 C ATOM 336 O ASP A 21 -4.266 -10.092 2.189 1.00 10.00 O ATOM 337 CB ASP A 21 -4.234 -12.885 1.044 1.00 10.00 C ATOM 338 CG ASP A 21 -4.188 -14.054 0.047 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.270 -14.567 -0.324 1.00 10.00 O ATOM 340 OD2 ASP A 21 -3.075 -14.469 -0.355 1.00 10.00 O ATOM 0 H ASP A 21 -2.820 -11.446 -0.408 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.668 -11.851 -0.175 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.235 -12.703 1.439 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -4.868 -13.152 1.890 1.00 10.00 H new ATOM 345 N PRO A 22 -6.429 -10.147 1.592 1.00 10.00 N ATOM 346 CA PRO A 22 -6.840 -9.060 2.497 1.00 10.00 C ATOM 347 C PRO A 22 -6.741 -9.418 3.993 1.00 10.00 C ATOM 348 O PRO A 22 -6.792 -8.539 4.854 1.00 10.00 O ATOM 349 CB PRO A 22 -8.276 -8.716 2.088 1.00 10.00 C ATOM 350 CG PRO A 22 -8.807 -10.038 1.539 1.00 10.00 C ATOM 351 CD PRO A 22 -7.583 -10.656 0.865 1.00 10.00 C ATOM 0 HA PRO A 22 -6.164 -8.211 2.395 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -8.864 -8.367 2.937 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.303 -7.928 1.336 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.194 -10.677 2.333 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.620 -9.882 0.830 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.622 -11.745 0.906 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.535 -10.379 -0.188 1.00 10.00 H new ATOM 359 N GLU A 23 -6.579 -10.704 4.317 1.00 10.00 N ATOM 360 CA GLU A 23 -6.281 -11.197 5.666 1.00 10.00 C ATOM 361 C GLU A 23 -4.815 -10.966 6.099 1.00 10.00 C ATOM 362 O GLU A 23 -4.493 -11.159 7.274 1.00 10.00 O ATOM 363 CB GLU A 23 -6.623 -12.695 5.753 1.00 10.00 C ATOM 364 CG GLU A 23 -8.121 -12.967 5.550 1.00 10.00 C ATOM 365 CD GLU A 23 -8.446 -14.458 5.771 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.333 -15.258 4.810 1.00 10.00 O ATOM 367 OE2 GLU A 23 -8.824 -14.840 6.905 1.00 10.00 O ATOM 0 H GLU A 23 -6.654 -11.453 3.629 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.899 -10.621 6.355 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.053 -13.239 5.000 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.315 -13.079 6.726 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.702 -12.358 6.242 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -8.415 -12.672 4.542 1.00 10.00 H new ATOM 374 N GLU A 24 -3.919 -10.553 5.192 1.00 10.00 N ATOM 375 CA GLU A 24 -2.511 -10.279 5.513 1.00 10.00 C ATOM 376 C GLU A 24 -2.313 -8.841 6.017 1.00 10.00 C ATOM 377 O GLU A 24 -3.157 -7.964 5.813 1.00 10.00 O ATOM 378 CB GLU A 24 -1.617 -10.526 4.284 1.00 10.00 C ATOM 379 CG GLU A 24 -1.582 -11.996 3.838 1.00 10.00 C ATOM 380 CD GLU A 24 -0.924 -12.908 4.892 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.303 -12.785 5.131 1.00 10.00 O ATOM 382 OE2 GLU A 24 -1.623 -13.763 5.490 1.00 10.00 O ATOM 0 H GLU A 24 -4.151 -10.399 4.211 1.00 10.00 H new ATOM 0 HA GLU A 24 -2.223 -10.962 6.312 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -1.972 -9.912 3.457 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.602 -10.199 4.511 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.598 -12.340 3.646 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -1.035 -12.076 2.898 1.00 10.00 H new ATOM 389 N THR A 25 -1.181 -8.589 6.679 1.00 10.00 N ATOM 390 CA THR A 25 -0.773 -7.251 7.135 1.00 10.00 C ATOM 391 C THR A 25 -0.398 -6.332 5.972 1.00 10.00 C ATOM 392 O THR A 25 -0.130 -6.784 4.853 1.00 10.00 O ATOM 393 CB THR A 25 0.397 -7.331 8.129 1.00 10.00 C ATOM 394 OG1 THR A 25 1.492 -7.999 7.544 1.00 10.00 O ATOM 395 CG2 THR A 25 0.016 -8.084 9.405 1.00 10.00 C ATOM 0 H THR A 25 -0.509 -9.318 6.919 1.00 10.00 H new ATOM 0 HA THR A 25 -1.639 -6.823 7.639 1.00 10.00 H new ATOM 0 HB THR A 25 0.659 -6.304 8.384 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.231 -8.042 8.187 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.873 -8.116 10.078 1.00 10.00 H new ATOM 0 HG22 THR A 25 -0.812 -7.573 9.896 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.284 -9.101 9.152 1.00 10.00 H new ATOM 403 N VAL A 26 -0.321 -5.022 6.237 1.00 10.00 N ATOM 404 CA VAL A 26 0.125 -4.007 5.260 1.00 10.00 C ATOM 405 C VAL A 26 1.486 -4.356 4.645 1.00 10.00 C ATOM 406 O VAL A 26 1.695 -4.115 3.454 1.00 10.00 O ATOM 407 CB VAL A 26 0.157 -2.613 5.920 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.719 -1.514 5.011 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.242 -2.180 6.383 1.00 10.00 C ATOM 0 H VAL A 26 -0.568 -4.627 7.144 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.596 -3.994 4.442 1.00 10.00 H new ATOM 0 HB VAL A 26 0.827 -2.726 6.773 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.710 -0.562 5.543 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.742 -1.763 4.729 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.105 -1.434 4.114 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.184 -1.194 6.843 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.913 -2.141 5.525 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.623 -2.898 7.109 1.00 10.00 H new ATOM 419 N LYS A 27 2.368 -5.010 5.414 1.00 10.00 N ATOM 420 CA LYS A 27 3.671 -5.528 4.970 1.00 10.00 C ATOM 421 C LYS A 27 3.593 -6.312 3.658 1.00 10.00 C ATOM 422 O LYS A 27 4.449 -6.126 2.801 1.00 10.00 O ATOM 423 CB LYS A 27 4.272 -6.390 6.091 1.00 10.00 C ATOM 424 CG LYS A 27 5.803 -6.432 6.018 1.00 10.00 C ATOM 425 CD LYS A 27 6.371 -7.346 7.114 1.00 10.00 C ATOM 426 CE LYS A 27 7.836 -7.005 7.415 1.00 10.00 C ATOM 427 NZ LYS A 27 7.943 -5.906 8.410 1.00 10.00 N ATOM 0 H LYS A 27 2.187 -5.200 6.400 1.00 10.00 H new ATOM 0 HA LYS A 27 4.317 -4.675 4.764 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.965 -5.993 7.059 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.877 -7.403 6.022 1.00 10.00 H new ATOM 0 HG2 LYS A 27 6.116 -6.792 5.038 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.206 -5.425 6.131 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.777 -7.243 8.022 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.294 -8.387 6.800 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.347 -7.891 7.792 1.00 10.00 H new ATOM 0 HE3 LYS A 27 8.340 -6.714 6.494 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.845 -5.405 8.279 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.155 -5.240 8.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.904 -6.302 9.371 1.00 10.00 H new ATOM 441 N ALA A 28 2.553 -7.123 3.456 1.00 10.00 N ATOM 442 CA ALA A 28 2.400 -7.962 2.265 1.00 10.00 C ATOM 443 C ALA A 28 2.085 -7.190 0.968 1.00 10.00 C ATOM 444 O ALA A 28 2.401 -7.670 -0.123 1.00 10.00 O ATOM 445 CB ALA A 28 1.282 -8.970 2.540 1.00 10.00 C ATOM 0 H ALA A 28 1.785 -7.217 4.121 1.00 10.00 H new ATOM 0 HA ALA A 28 3.362 -8.443 2.089 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.146 -9.609 1.668 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.548 -9.583 3.401 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.354 -8.437 2.747 1.00 10.00 H new ATOM 451 N LEU A 29 1.487 -5.996 1.068 1.00 10.00 N ATOM 452 CA LEU A 29 1.268 -5.096 -0.069 1.00 10.00 C ATOM 453 C LEU A 29 2.422 -4.087 -0.186 1.00 10.00 C ATOM 454 O LEU A 29 2.846 -3.743 -1.283 1.00 10.00 O ATOM 455 CB LEU A 29 -0.165 -4.508 -0.014 1.00 10.00 C ATOM 456 CG LEU A 29 -0.305 -3.007 0.296 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.130 -2.123 -0.940 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.707 -2.709 0.827 1.00 10.00 C ATOM 0 H LEU A 29 1.138 -5.624 1.951 1.00 10.00 H new ATOM 0 HA LEU A 29 1.300 -5.639 -1.014 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.644 -4.699 -0.974 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.727 -5.061 0.739 1.00 10.00 H new ATOM 0 HG LEU A 29 0.476 -2.785 1.023 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.240 -1.076 -0.657 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.862 -2.282 -1.364 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.887 -2.380 -1.681 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.795 -1.644 1.043 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.447 -2.990 0.078 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.880 -3.280 1.739 1.00 10.00 H new ATOM 470 N LYS A 30 3.013 -3.675 0.938 1.00 10.00 N ATOM 471 CA LYS A 30 4.182 -2.795 0.959 1.00 10.00 C ATOM 472 C LYS A 30 5.448 -3.470 0.410 1.00 10.00 C ATOM 473 O LYS A 30 6.211 -2.832 -0.313 1.00 10.00 O ATOM 474 CB LYS A 30 4.313 -2.247 2.396 1.00 10.00 C ATOM 475 CG LYS A 30 5.454 -1.238 2.576 1.00 10.00 C ATOM 476 CD LYS A 30 6.690 -1.841 3.256 1.00 10.00 C ATOM 477 CE LYS A 30 6.618 -1.735 4.785 1.00 10.00 C ATOM 478 NZ LYS A 30 7.205 -0.464 5.290 1.00 10.00 N ATOM 0 H LYS A 30 2.690 -3.946 1.867 1.00 10.00 H new ATOM 0 HA LYS A 30 4.047 -1.957 0.275 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.374 -1.773 2.680 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.468 -3.082 3.080 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.739 -0.844 1.601 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.096 -0.396 3.168 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.786 -2.888 2.970 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.585 -1.330 2.900 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.578 -1.804 5.103 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.145 -2.579 5.231 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.029 -0.382 6.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 8.230 -0.461 5.114 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 6.767 0.340 4.798 1.00 10.00 H new ATOM 492 N GLU A 31 5.649 -4.764 0.666 1.00 10.00 N ATOM 493 CA GLU A 31 6.775 -5.531 0.115 1.00 10.00 C ATOM 494 C GLU A 31 6.703 -5.692 -1.413 1.00 10.00 C ATOM 495 O GLU A 31 7.733 -5.667 -2.088 1.00 10.00 O ATOM 496 CB GLU A 31 6.914 -6.900 0.820 1.00 10.00 C ATOM 497 CG GLU A 31 5.955 -8.009 0.371 1.00 10.00 C ATOM 498 CD GLU A 31 6.242 -9.322 1.126 1.00 10.00 C ATOM 499 OE1 GLU A 31 5.752 -9.506 2.267 1.00 10.00 O ATOM 500 OE2 GLU A 31 6.966 -10.193 0.579 1.00 10.00 O ATOM 0 H GLU A 31 5.034 -5.315 1.264 1.00 10.00 H new ATOM 0 HA GLU A 31 7.674 -4.949 0.317 1.00 10.00 H new ATOM 0 HB2 GLU A 31 7.935 -7.254 0.676 1.00 10.00 H new ATOM 0 HB3 GLU A 31 6.778 -6.746 1.891 1.00 10.00 H new ATOM 0 HG2 GLU A 31 4.925 -7.699 0.550 1.00 10.00 H new ATOM 0 HG3 GLU A 31 6.057 -8.172 -0.702 1.00 10.00 H new ATOM 507 N LYS A 32 5.491 -5.853 -1.970 1.00 10.00 N ATOM 508 CA LYS A 32 5.308 -6.312 -3.354 1.00 10.00 C ATOM 509 C LYS A 32 5.501 -5.216 -4.406 1.00 10.00 C ATOM 510 O LYS A 32 5.895 -5.524 -5.529 1.00 10.00 O ATOM 511 CB LYS A 32 3.966 -7.058 -3.470 1.00 10.00 C ATOM 512 CG LYS A 32 2.715 -6.165 -3.587 1.00 10.00 C ATOM 513 CD LYS A 32 2.189 -5.906 -5.013 1.00 10.00 C ATOM 514 CE LYS A 32 1.946 -7.159 -5.877 1.00 10.00 C ATOM 515 NZ LYS A 32 1.114 -8.204 -5.214 1.00 10.00 N ATOM 0 H LYS A 32 4.617 -5.670 -1.476 1.00 10.00 H new ATOM 0 HA LYS A 32 6.109 -7.013 -3.586 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.008 -7.710 -4.342 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.851 -7.700 -2.597 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.914 -6.621 -3.005 1.00 10.00 H new ATOM 0 HG3 LYS A 32 2.937 -5.203 -3.125 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.253 -5.352 -4.940 1.00 10.00 H new ATOM 0 HD3 LYS A 32 2.901 -5.263 -5.531 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.461 -6.858 -6.805 1.00 10.00 H new ATOM 0 HE3 LYS A 32 2.909 -7.593 -6.147 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.149 -9.081 -5.772 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.482 -8.386 -4.259 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 0.130 -7.874 -5.149 1.00 10.00 H new ATOM 529 N ILE A 33 5.268 -3.946 -4.061 1.00 10.00 N ATOM 530 CA ILE A 33 5.450 -2.811 -4.984 1.00 10.00 C ATOM 531 C ILE A 33 6.918 -2.378 -5.110 1.00 10.00 C ATOM 532 O ILE A 33 7.308 -1.825 -6.138 1.00 10.00 O ATOM 533 CB ILE A 33 4.495 -1.643 -4.655 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.866 -0.779 -3.428 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.063 -2.178 -4.502 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.793 0.396 -3.782 1.00 10.00 C ATOM 0 H ILE A 33 4.947 -3.671 -3.133 1.00 10.00 H new ATOM 0 HA ILE A 33 5.169 -3.163 -5.977 1.00 10.00 H new ATOM 0 HB ILE A 33 4.587 -0.963 -5.502 1.00 10.00 H new ATOM 0 HG12 ILE A 33 3.954 -0.392 -2.974 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.352 -1.407 -2.681 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.389 -1.353 -4.270 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.750 -2.651 -5.433 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.032 -2.910 -3.695 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.018 0.966 -2.881 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.719 0.013 -4.210 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.299 1.043 -4.507 1.00 10.00 H new ATOM 548 N GLU A 34 7.770 -2.700 -4.129 1.00 10.00 N ATOM 549 CA GLU A 34 9.228 -2.578 -4.292 1.00 10.00 C ATOM 550 C GLU A 34 9.741 -3.465 -5.448 1.00 10.00 C ATOM 551 O GLU A 34 10.638 -3.055 -6.180 1.00 10.00 O ATOM 552 CB GLU A 34 9.951 -2.904 -2.974 1.00 10.00 C ATOM 553 CG GLU A 34 11.435 -2.519 -3.006 1.00 10.00 C ATOM 554 CD GLU A 34 12.185 -3.058 -1.775 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.529 -4.263 -1.766 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.495 -2.276 -0.849 1.00 10.00 O ATOM 0 H GLU A 34 7.478 -3.046 -3.215 1.00 10.00 H new ATOM 0 HA GLU A 34 9.452 -1.544 -4.553 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.460 -2.378 -2.155 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.860 -3.971 -2.768 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.894 -2.911 -3.913 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.530 -1.434 -3.044 1.00 10.00 H new ATOM 563 N SER A 35 9.124 -4.627 -5.697 1.00 10.00 N ATOM 564 CA SER A 35 9.437 -5.470 -6.866 1.00 10.00 C ATOM 565 C SER A 35 9.059 -4.829 -8.215 1.00 10.00 C ATOM 566 O SER A 35 9.552 -5.263 -9.257 1.00 10.00 O ATOM 567 CB SER A 35 8.750 -6.840 -6.760 1.00 10.00 C ATOM 568 OG SER A 35 9.073 -7.479 -5.533 1.00 10.00 O ATOM 0 H SER A 35 8.394 -5.012 -5.097 1.00 10.00 H new ATOM 0 HA SER A 35 10.521 -5.585 -6.849 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.670 -6.716 -6.836 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.058 -7.470 -7.594 1.00 10.00 H new ATOM 0 HG SER A 35 8.623 -8.348 -5.488 1.00 10.00 H new ATOM 574 N GLU A 36 8.213 -3.792 -8.217 1.00 10.00 N ATOM 575 CA GLU A 36 7.748 -3.089 -9.424 1.00 10.00 C ATOM 576 C GLU A 36 8.496 -1.768 -9.681 1.00 10.00 C ATOM 577 O GLU A 36 8.704 -1.399 -10.841 1.00 10.00 O ATOM 578 CB GLU A 36 6.247 -2.780 -9.289 1.00 10.00 C ATOM 579 CG GLU A 36 5.350 -4.015 -9.108 1.00 10.00 C ATOM 580 CD GLU A 36 5.463 -5.006 -10.283 1.00 10.00 C ATOM 581 OE1 GLU A 36 5.101 -4.641 -11.430 1.00 10.00 O ATOM 582 OE2 GLU A 36 5.900 -6.163 -10.073 1.00 10.00 O ATOM 0 H GLU A 36 7.821 -3.407 -7.358 1.00 10.00 H new ATOM 0 HA GLU A 36 7.946 -3.751 -10.267 1.00 10.00 H new ATOM 0 HB2 GLU A 36 6.102 -2.115 -8.438 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.920 -2.238 -10.176 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.619 -4.523 -8.182 1.00 10.00 H new ATOM 0 HG3 GLU A 36 4.313 -3.695 -9.006 1.00 10.00 H new ATOM 589 N LYS A 37 8.900 -1.054 -8.617 1.00 10.00 N ATOM 590 CA LYS A 37 9.433 0.328 -8.682 1.00 10.00 C ATOM 591 C LYS A 37 10.778 0.531 -7.960 1.00 10.00 C ATOM 592 O LYS A 37 11.425 1.562 -8.148 1.00 10.00 O ATOM 593 CB LYS A 37 8.361 1.304 -8.163 1.00 10.00 C ATOM 594 CG LYS A 37 7.092 1.305 -9.033 1.00 10.00 C ATOM 595 CD LYS A 37 6.032 2.260 -8.471 1.00 10.00 C ATOM 596 CE LYS A 37 4.733 2.213 -9.289 1.00 10.00 C ATOM 597 NZ LYS A 37 4.857 2.872 -10.617 1.00 10.00 N ATOM 0 H LYS A 37 8.867 -1.423 -7.667 1.00 10.00 H new ATOM 0 HA LYS A 37 9.658 0.533 -9.729 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.096 1.036 -7.140 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.776 2.311 -8.131 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.347 1.599 -10.051 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.684 0.296 -9.086 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.819 1.998 -7.435 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.424 3.277 -8.468 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.438 1.174 -9.432 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.936 2.696 -8.723 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 4.156 2.469 -11.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.688 3.893 -10.515 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.813 2.715 -10.994 1.00 10.00 H new ATOM 611 N GLY A 38 11.227 -0.467 -7.200 1.00 10.00 N ATOM 612 CA GLY A 38 12.590 -0.600 -6.669 1.00 10.00 C ATOM 613 C GLY A 38 12.888 0.162 -5.372 1.00 10.00 C ATOM 614 O GLY A 38 12.250 1.164 -5.043 1.00 10.00 O ATOM 0 H GLY A 38 10.625 -1.243 -6.923 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.790 -1.658 -6.499 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.290 -0.263 -7.433 1.00 10.00 H new ATOM 618 N LYS A 39 13.946 -0.276 -4.675 1.00 10.00 N ATOM 619 CA LYS A 39 14.583 0.406 -3.521 1.00 10.00 C ATOM 620 C LYS A 39 14.953 1.857 -3.826 1.00 10.00 C ATOM 621 O LYS A 39 14.918 2.723 -2.956 1.00 10.00 O ATOM 622 CB LYS A 39 15.897 -0.296 -3.125 1.00 10.00 C ATOM 623 CG LYS A 39 15.800 -1.722 -2.577 1.00 10.00 C ATOM 624 CD LYS A 39 15.360 -2.770 -3.609 1.00 10.00 C ATOM 625 CE LYS A 39 15.808 -4.189 -3.241 1.00 10.00 C ATOM 626 NZ LYS A 39 15.263 -4.650 -1.937 1.00 10.00 N ATOM 0 H LYS A 39 14.408 -1.156 -4.905 1.00 10.00 H new ATOM 0 HA LYS A 39 13.844 0.368 -2.721 1.00 10.00 H new ATOM 0 HB2 LYS A 39 16.545 -0.316 -4.001 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.394 0.319 -2.375 1.00 10.00 H new ATOM 0 HG2 LYS A 39 16.771 -2.011 -2.176 1.00 10.00 H new ATOM 0 HG3 LYS A 39 15.096 -1.731 -1.745 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.274 -2.749 -3.701 1.00 10.00 H new ATOM 0 HD3 LYS A 39 15.768 -2.506 -4.585 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.493 -4.878 -4.024 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.897 -4.223 -3.206 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.679 -5.571 -1.693 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.498 -3.957 -1.198 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.230 -4.744 -2.006 1.00 10.00 H new ATOM 640 N ASP A 40 15.305 2.095 -5.086 1.00 10.00 N ATOM 641 CA ASP A 40 15.670 3.401 -5.654 1.00 10.00 C ATOM 642 C ASP A 40 14.576 4.481 -5.502 1.00 10.00 C ATOM 643 O ASP A 40 14.880 5.675 -5.555 1.00 10.00 O ATOM 644 CB ASP A 40 16.040 3.191 -7.130 1.00 10.00 C ATOM 645 CG ASP A 40 16.626 4.457 -7.784 1.00 10.00 C ATOM 646 OD1 ASP A 40 17.744 4.876 -7.399 1.00 10.00 O ATOM 647 OD2 ASP A 40 15.989 5.011 -8.714 1.00 10.00 O ATOM 0 H ASP A 40 15.347 1.348 -5.779 1.00 10.00 H new ATOM 0 HA ASP A 40 16.519 3.787 -5.089 1.00 10.00 H new ATOM 0 HB2 ASP A 40 16.764 2.380 -7.207 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.153 2.880 -7.682 1.00 10.00 H new ATOM 652 N ALA A 41 13.317 4.077 -5.278 1.00 10.00 N ATOM 653 CA ALA A 41 12.168 4.978 -5.156 1.00 10.00 C ATOM 654 C ALA A 41 11.182 4.615 -4.023 1.00 10.00 C ATOM 655 O ALA A 41 10.550 5.521 -3.474 1.00 10.00 O ATOM 656 CB ALA A 41 11.468 5.005 -6.518 1.00 10.00 C ATOM 0 H ALA A 41 13.067 3.094 -5.175 1.00 10.00 H new ATOM 0 HA ALA A 41 12.536 5.964 -4.873 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.603 5.667 -6.470 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.161 5.368 -7.276 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.140 3.999 -6.779 1.00 10.00 H new ATOM 662 N PHE A 42 11.060 3.336 -3.639 1.00 10.00 N ATOM 663 CA PHE A 42 10.102 2.850 -2.630 1.00 10.00 C ATOM 664 C PHE A 42 10.724 1.768 -1.713 1.00 10.00 C ATOM 665 O PHE A 42 10.242 0.631 -1.681 1.00 10.00 O ATOM 666 CB PHE A 42 8.818 2.365 -3.333 1.00 10.00 C ATOM 667 CG PHE A 42 8.063 3.432 -4.103 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.081 4.214 -3.462 1.00 10.00 C ATOM 669 CD2 PHE A 42 8.353 3.652 -5.462 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.410 5.223 -4.175 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.690 4.666 -6.173 1.00 10.00 C ATOM 672 CZ PHE A 42 6.719 5.453 -5.528 1.00 10.00 C ATOM 0 H PHE A 42 11.638 2.592 -4.030 1.00 10.00 H new ATOM 0 HA PHE A 42 9.838 3.675 -1.968 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.080 1.560 -4.020 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.151 1.939 -2.584 1.00 10.00 H new ATOM 0 HD1 PHE A 42 6.844 4.038 -2.423 1.00 10.00 H new ATOM 0 HD2 PHE A 42 9.089 3.039 -5.961 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.657 5.822 -3.684 1.00 10.00 H new ATOM 0 HE2 PHE A 42 7.925 4.841 -7.212 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.210 6.235 -6.072 1.00 10.00 H new ATOM 682 N PRO A 43 11.806 2.076 -0.970 1.00 10.00 N ATOM 683 CA PRO A 43 12.493 1.103 -0.121 1.00 10.00 C ATOM 684 C PRO A 43 11.599 0.654 1.044 1.00 10.00 C ATOM 685 O PRO A 43 11.089 1.490 1.794 1.00 10.00 O ATOM 686 CB PRO A 43 13.761 1.813 0.363 1.00 10.00 C ATOM 687 CG PRO A 43 13.372 3.291 0.363 1.00 10.00 C ATOM 688 CD PRO A 43 12.389 3.402 -0.801 1.00 10.00 C ATOM 0 HA PRO A 43 12.738 0.189 -0.661 1.00 10.00 H new ATOM 0 HB2 PRO A 43 14.054 1.476 1.357 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.605 1.621 -0.300 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.912 3.585 1.306 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.240 3.934 0.218 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.617 4.142 -0.589 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.897 3.722 -1.710 1.00 10.00 H new ATOM 696 N VAL A 44 11.418 -0.656 1.231 1.00 10.00 N ATOM 697 CA VAL A 44 10.558 -1.248 2.282 1.00 10.00 C ATOM 698 C VAL A 44 10.882 -0.737 3.691 1.00 10.00 C ATOM 699 O VAL A 44 9.970 -0.545 4.500 1.00 10.00 O ATOM 700 CB VAL A 44 10.602 -2.792 2.199 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.088 -3.534 3.443 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.740 -3.252 1.019 1.00 10.00 C ATOM 0 H VAL A 44 11.872 -1.358 0.647 1.00 10.00 H new ATOM 0 HA VAL A 44 9.537 -0.918 2.088 1.00 10.00 H new ATOM 0 HB VAL A 44 11.659 -3.038 2.093 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.162 -4.609 3.282 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.690 -3.255 4.308 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.047 -3.265 3.623 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.765 -4.340 0.952 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.712 -2.921 1.168 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.129 -2.823 0.095 1.00 10.00 H new ATOM 712 N ALA A 45 12.155 -0.436 3.964 1.00 10.00 N ATOM 713 CA ALA A 45 12.635 0.143 5.221 1.00 10.00 C ATOM 714 C ALA A 45 12.180 1.597 5.498 1.00 10.00 C ATOM 715 O ALA A 45 12.427 2.096 6.599 1.00 10.00 O ATOM 716 CB ALA A 45 14.165 0.036 5.217 1.00 10.00 C ATOM 0 H ALA A 45 12.906 -0.595 3.292 1.00 10.00 H new ATOM 0 HA ALA A 45 12.185 -0.424 6.036 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.562 0.458 6.140 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.456 -1.012 5.143 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.566 0.585 4.365 1.00 10.00 H new ATOM 722 N GLY A 46 11.540 2.283 4.539 1.00 10.00 N ATOM 723 CA GLY A 46 11.138 3.695 4.657 1.00 10.00 C ATOM 724 C GLY A 46 9.820 4.090 3.970 1.00 10.00 C ATOM 725 O GLY A 46 9.307 5.173 4.256 1.00 10.00 O ATOM 0 H GLY A 46 11.282 1.866 3.644 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.058 3.940 5.716 1.00 10.00 H new ATOM 0 HA3 GLY A 46 11.936 4.313 4.246 1.00 10.00 H new ATOM 729 N GLN A 47 9.236 3.256 3.095 1.00 10.00 N ATOM 730 CA GLN A 47 7.900 3.528 2.538 1.00 10.00 C ATOM 731 C GLN A 47 6.766 3.199 3.537 1.00 10.00 C ATOM 732 O GLN A 47 6.824 2.210 4.276 1.00 10.00 O ATOM 733 CB GLN A 47 7.690 2.875 1.158 1.00 10.00 C ATOM 734 CG GLN A 47 7.694 1.341 1.139 1.00 10.00 C ATOM 735 CD GLN A 47 6.933 0.766 -0.054 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.737 0.963 -0.214 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.569 0.004 -0.913 1.00 10.00 N ATOM 0 H GLN A 47 9.664 2.393 2.759 1.00 10.00 H new ATOM 0 HA GLN A 47 7.851 4.604 2.370 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.739 3.222 0.753 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.471 3.230 0.486 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.724 0.984 1.114 1.00 10.00 H new ATOM 0 HG3 GLN A 47 7.250 0.969 2.062 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.567 -0.172 -0.797 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.065 -0.412 -1.697 1.00 10.00 H new ATOM 746 N LYS A 48 5.725 4.039 3.535 1.00 10.00 N ATOM 747 CA LYS A 48 4.571 4.063 4.458 1.00 10.00 C ATOM 748 C LYS A 48 3.284 4.367 3.684 1.00 10.00 C ATOM 749 O LYS A 48 3.346 4.889 2.570 1.00 10.00 O ATOM 750 CB LYS A 48 4.782 5.126 5.556 1.00 10.00 C ATOM 751 CG LYS A 48 6.151 5.025 6.241 1.00 10.00 C ATOM 752 CD LYS A 48 6.218 5.893 7.503 1.00 10.00 C ATOM 753 CE LYS A 48 7.605 5.766 8.146 1.00 10.00 C ATOM 754 NZ LYS A 48 7.682 6.514 9.430 1.00 10.00 N ATOM 0 H LYS A 48 5.656 4.779 2.836 1.00 10.00 H new ATOM 0 HA LYS A 48 4.484 3.083 4.928 1.00 10.00 H new ATOM 0 HB2 LYS A 48 4.675 6.118 5.117 1.00 10.00 H new ATOM 0 HB3 LYS A 48 3.999 5.023 6.307 1.00 10.00 H new ATOM 0 HG2 LYS A 48 6.351 3.986 6.503 1.00 10.00 H new ATOM 0 HG3 LYS A 48 6.930 5.334 5.545 1.00 10.00 H new ATOM 0 HD2 LYS A 48 6.018 6.934 7.251 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.449 5.583 8.210 1.00 10.00 H new ATOM 0 HE2 LYS A 48 7.830 4.714 8.322 1.00 10.00 H new ATOM 0 HE3 LYS A 48 8.362 6.143 7.458 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 8.633 6.407 9.838 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 7.491 7.522 9.257 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 6.976 6.137 10.094 1.00 10.00 H new ATOM 768 N LEU A 49 2.121 4.042 4.252 1.00 10.00 N ATOM 769 CA LEU A 49 0.831 4.082 3.547 1.00 10.00 C ATOM 770 C LEU A 49 -0.292 4.762 4.361 1.00 10.00 C ATOM 771 O LEU A 49 -0.290 4.767 5.595 1.00 10.00 O ATOM 772 CB LEU A 49 0.425 2.656 3.108 1.00 10.00 C ATOM 773 CG LEU A 49 1.332 2.043 2.019 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.467 1.180 2.581 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.531 1.126 1.094 1.00 10.00 C ATOM 0 H LEU A 49 2.044 3.740 5.223 1.00 10.00 H new ATOM 0 HA LEU A 49 0.968 4.705 2.663 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.434 2.004 3.981 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.600 2.680 2.739 1.00 10.00 H new ATOM 0 HG LEU A 49 1.748 2.903 1.495 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.063 0.783 1.759 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.100 1.788 3.228 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.046 0.355 3.156 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.192 0.707 0.336 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.089 0.318 1.677 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.260 1.699 0.609 1.00 10.00 H new ATOM 787 N ILE A 50 -1.274 5.302 3.638 1.00 10.00 N ATOM 788 CA ILE A 50 -2.421 6.101 4.112 1.00 10.00 C ATOM 789 C ILE A 50 -3.707 5.627 3.415 1.00 10.00 C ATOM 790 O ILE A 50 -3.684 5.351 2.217 1.00 10.00 O ATOM 791 CB ILE A 50 -2.161 7.602 3.791 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.193 8.277 4.789 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.441 8.453 3.662 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.800 8.621 6.156 1.00 10.00 C ATOM 0 H ILE A 50 -1.296 5.187 2.625 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.539 5.975 5.188 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.688 7.571 2.810 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.339 7.618 4.944 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.812 9.193 4.338 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.171 9.485 3.438 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.061 8.058 2.858 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -3.997 8.419 4.599 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.042 9.090 6.783 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.635 9.308 6.021 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.155 7.709 6.636 1.00 10.00 H new ATOM 806 N TYR A 51 -4.846 5.629 4.113 1.00 10.00 N ATOM 807 CA TYR A 51 -6.167 5.375 3.521 1.00 10.00 C ATOM 808 C TYR A 51 -7.146 6.499 3.882 1.00 10.00 C ATOM 809 O TYR A 51 -7.778 6.487 4.940 1.00 10.00 O ATOM 810 CB TYR A 51 -6.669 3.981 3.918 1.00 10.00 C ATOM 811 CG TYR A 51 -7.984 3.546 3.288 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.128 3.518 1.886 1.00 10.00 C ATOM 813 CD2 TYR A 51 -9.029 3.070 4.104 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.303 3.003 1.299 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.190 2.522 3.521 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.328 2.482 2.117 1.00 10.00 C ATOM 817 OH TYR A 51 -11.426 1.908 1.551 1.00 10.00 O ATOM 0 H TYR A 51 -4.880 5.809 5.116 1.00 10.00 H new ATOM 0 HA TYR A 51 -6.086 5.379 2.434 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.903 3.251 3.655 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.780 3.951 5.002 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.334 3.893 1.257 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.941 3.125 5.179 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.418 3.008 0.225 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.976 2.132 4.151 1.00 10.00 H new ATOM 0 HH TYR A 51 -11.691 1.122 2.074 1.00 10.00 H new ATOM 827 N ALA A 52 -7.218 7.506 3.005 1.00 10.00 N ATOM 828 CA ALA A 52 -8.152 8.641 3.052 1.00 10.00 C ATOM 829 C ALA A 52 -8.144 9.494 4.349 1.00 10.00 C ATOM 830 O ALA A 52 -9.074 10.274 4.577 1.00 10.00 O ATOM 831 CB ALA A 52 -9.547 8.112 2.677 1.00 10.00 C ATOM 0 H ALA A 52 -6.594 7.556 2.200 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.806 9.376 2.325 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.266 8.931 2.702 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.517 7.686 1.674 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.848 7.343 3.389 1.00 10.00 H new ATOM 837 N GLY A 53 -7.116 9.367 5.201 1.00 10.00 N ATOM 838 CA GLY A 53 -6.989 10.122 6.460 1.00 10.00 C ATOM 839 C GLY A 53 -6.358 9.360 7.635 1.00 10.00 C ATOM 840 O GLY A 53 -6.043 9.987 8.652 1.00 10.00 O ATOM 0 H GLY A 53 -6.338 8.729 5.034 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.393 11.014 6.268 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.981 10.460 6.761 1.00 10.00 H new ATOM 844 N LYS A 54 -6.149 8.041 7.515 1.00 10.00 N ATOM 845 CA LYS A 54 -5.559 7.178 8.562 1.00 10.00 C ATOM 846 C LYS A 54 -4.345 6.400 8.055 1.00 10.00 C ATOM 847 O LYS A 54 -4.231 6.167 6.854 1.00 10.00 O ATOM 848 CB LYS A 54 -6.642 6.254 9.150 1.00 10.00 C ATOM 849 CG LYS A 54 -7.079 5.095 8.234 1.00 10.00 C ATOM 850 CD LYS A 54 -8.365 4.405 8.720 1.00 10.00 C ATOM 851 CE LYS A 54 -8.221 3.797 10.124 1.00 10.00 C ATOM 852 NZ LYS A 54 -9.479 3.139 10.568 1.00 10.00 N ATOM 0 H LYS A 54 -6.390 7.527 6.668 1.00 10.00 H new ATOM 0 HA LYS A 54 -5.185 7.817 9.362 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.272 5.837 10.087 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.518 6.855 9.393 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -7.235 5.475 7.224 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -6.276 4.360 8.178 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -9.180 5.128 8.724 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -8.639 3.620 8.015 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -7.409 3.069 10.124 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -7.949 4.579 10.833 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -9.345 2.740 11.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -10.248 3.839 10.591 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -9.725 2.377 9.904 1.00 10.00 H new ATOM 866 N ILE A 55 -3.466 5.976 8.963 1.00 10.00 N ATOM 867 CA ILE A 55 -2.153 5.392 8.634 1.00 10.00 C ATOM 868 C ILE A 55 -2.247 3.864 8.707 1.00 10.00 C ATOM 869 O ILE A 55 -2.709 3.298 9.700 1.00 10.00 O ATOM 870 CB ILE A 55 -1.057 5.924 9.596 1.00 10.00 C ATOM 871 CG1 ILE A 55 -0.905 7.460 9.487 1.00 10.00 C ATOM 872 CG2 ILE A 55 0.299 5.249 9.306 1.00 10.00 C ATOM 873 CD1 ILE A 55 -0.066 8.092 10.605 1.00 10.00 C ATOM 0 H ILE A 55 -3.643 6.027 9.966 1.00 10.00 H new ATOM 0 HA ILE A 55 -1.874 5.685 7.622 1.00 10.00 H new ATOM 0 HB ILE A 55 -1.371 5.679 10.611 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -0.450 7.701 8.526 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -1.896 7.913 9.492 1.00 10.00 H new ATOM 0 HG21 ILE A 55 1.052 5.637 9.992 1.00 10.00 H new ATOM 0 HG22 ILE A 55 0.205 4.171 9.441 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.599 5.461 8.280 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -0.010 9.170 10.453 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -0.530 7.885 11.569 1.00 10.00 H new ATOM 0 HD13 ILE A 55 0.939 7.670 10.588 1.00 10.00 H new ATOM 885 N LEU A 56 -1.804 3.204 7.637 1.00 10.00 N ATOM 886 CA LEU A 56 -1.779 1.748 7.490 1.00 10.00 C ATOM 887 C LEU A 56 -0.563 1.144 8.222 1.00 10.00 C ATOM 888 O LEU A 56 0.580 1.271 7.776 1.00 10.00 O ATOM 889 CB LEU A 56 -1.825 1.415 5.983 1.00 10.00 C ATOM 890 CG LEU A 56 -3.230 1.049 5.478 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.247 2.170 5.699 1.00 10.00 C ATOM 892 CD2 LEU A 56 -3.166 0.740 3.980 1.00 10.00 C ATOM 0 H LEU A 56 -1.438 3.687 6.817 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.650 1.293 7.961 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.456 2.271 5.418 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.148 0.585 5.782 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.559 0.181 6.049 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.221 1.857 5.324 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.322 2.389 6.764 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.924 3.065 5.167 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -4.161 0.480 3.619 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.803 1.616 3.443 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.488 -0.097 3.810 1.00 10.00 H new ATOM 904 N ASN A 57 -0.818 0.507 9.366 1.00 10.00 N ATOM 905 CA ASN A 57 0.183 -0.089 10.250 1.00 10.00 C ATOM 906 C ASN A 57 0.743 -1.409 9.692 1.00 10.00 C ATOM 907 O ASN A 57 -0.009 -2.314 9.326 1.00 10.00 O ATOM 908 CB ASN A 57 -0.477 -0.333 11.616 1.00 10.00 C ATOM 909 CG ASN A 57 0.495 -0.912 12.630 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.621 -0.462 12.777 1.00 10.00 O ATOM 911 ND2 ASN A 57 0.113 -1.950 13.338 1.00 10.00 N ATOM 0 H ASN A 57 -1.769 0.388 9.716 1.00 10.00 H new ATOM 0 HA ASN A 57 1.026 0.596 10.338 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.879 0.606 11.996 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.320 -1.014 11.494 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.755 -2.376 14.006 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.826 -2.330 13.220 1.00 10.00 H new ATOM 918 N ASP A 58 2.068 -1.553 9.706 1.00 10.00 N ATOM 919 CA ASP A 58 2.796 -2.696 9.137 1.00 10.00 C ATOM 920 C ASP A 58 2.511 -4.058 9.813 1.00 10.00 C ATOM 921 O ASP A 58 2.859 -5.104 9.266 1.00 10.00 O ATOM 922 CB ASP A 58 4.298 -2.365 9.165 1.00 10.00 C ATOM 923 CG ASP A 58 5.101 -3.176 8.140 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.808 -3.046 6.930 1.00 10.00 O ATOM 925 OD2 ASP A 58 6.068 -3.875 8.530 1.00 10.00 O ATOM 0 H ASP A 58 2.686 -0.859 10.125 1.00 10.00 H new ATOM 0 HA ASP A 58 2.437 -2.832 8.117 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.435 -1.302 8.969 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.690 -2.559 10.163 1.00 10.00 H new ATOM 930 N ASP A 59 1.839 -4.059 10.970 1.00 10.00 N ATOM 931 CA ASP A 59 1.530 -5.240 11.790 1.00 10.00 C ATOM 932 C ASP A 59 0.011 -5.463 11.994 1.00 10.00 C ATOM 933 O ASP A 59 -0.392 -6.297 12.810 1.00 10.00 O ATOM 934 CB ASP A 59 2.278 -5.130 13.131 1.00 10.00 C ATOM 935 CG ASP A 59 3.805 -5.209 12.959 1.00 10.00 C ATOM 936 OD1 ASP A 59 4.330 -6.326 12.729 1.00 10.00 O ATOM 937 OD2 ASP A 59 4.491 -4.167 13.094 1.00 10.00 O ATOM 0 H ASP A 59 1.478 -3.198 11.381 1.00 10.00 H new ATOM 0 HA ASP A 59 1.874 -6.123 11.252 1.00 10.00 H new ATOM 0 HB2 ASP A 59 2.018 -4.188 13.613 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.948 -5.929 13.795 1.00 10.00 H new ATOM 942 N THR A 60 -0.845 -4.761 11.236 1.00 10.00 N ATOM 943 CA THR A 60 -2.317 -4.878 11.290 1.00 10.00 C ATOM 944 C THR A 60 -2.859 -5.358 9.943 1.00 10.00 C ATOM 945 O THR A 60 -2.448 -4.869 8.887 1.00 10.00 O ATOM 946 CB THR A 60 -2.947 -3.530 11.673 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.501 -3.136 12.956 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.477 -3.543 11.711 1.00 10.00 C ATOM 0 H THR A 60 -0.528 -4.077 10.549 1.00 10.00 H new ATOM 0 HA THR A 60 -2.581 -5.611 12.052 1.00 10.00 H new ATOM 0 HB THR A 60 -2.634 -2.836 10.893 1.00 10.00 H new ATOM 0 HG1 THR A 60 -1.942 -3.843 13.339 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.842 -2.555 11.989 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.863 -3.809 10.727 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.817 -4.275 12.444 1.00 10.00 H new ATOM 956 N ALA A 61 -3.763 -6.343 9.969 1.00 10.00 N ATOM 957 CA ALA A 61 -4.343 -6.955 8.775 1.00 10.00 C ATOM 958 C ALA A 61 -5.240 -5.989 7.975 1.00 10.00 C ATOM 959 O ALA A 61 -6.008 -5.210 8.541 1.00 10.00 O ATOM 960 CB ALA A 61 -5.087 -8.222 9.194 1.00 10.00 C ATOM 0 H ALA A 61 -4.117 -6.743 10.838 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.537 -7.214 8.088 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.527 -8.693 8.315 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.390 -8.914 9.666 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.876 -7.964 9.901 1.00 10.00 H new ATOM 966 N LEU A 62 -5.165 -6.053 6.644 1.00 10.00 N ATOM 967 CA LEU A 62 -5.768 -5.068 5.735 1.00 10.00 C ATOM 968 C LEU A 62 -7.298 -4.969 5.830 1.00 10.00 C ATOM 969 O LEU A 62 -7.847 -3.871 5.724 1.00 10.00 O ATOM 970 CB LEU A 62 -5.306 -5.379 4.300 1.00 10.00 C ATOM 971 CG LEU A 62 -3.813 -5.071 4.088 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.301 -5.723 2.809 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.592 -3.560 3.996 1.00 10.00 C ATOM 0 H LEU A 62 -4.675 -6.803 6.156 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.419 -4.082 6.042 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.493 -6.430 4.080 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -5.899 -4.796 3.595 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.265 -5.474 4.940 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.244 -5.491 2.681 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.430 -6.803 2.874 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -3.862 -5.341 1.956 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.532 -3.356 3.846 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -4.161 -3.160 3.157 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.926 -3.087 4.919 1.00 10.00 H new ATOM 985 N LYS A 63 -7.997 -6.076 6.110 1.00 10.00 N ATOM 986 CA LYS A 63 -9.451 -6.065 6.361 1.00 10.00 C ATOM 987 C LYS A 63 -9.896 -5.235 7.576 1.00 10.00 C ATOM 988 O LYS A 63 -11.039 -4.788 7.608 1.00 10.00 O ATOM 989 CB LYS A 63 -10.022 -7.495 6.369 1.00 10.00 C ATOM 990 CG LYS A 63 -9.870 -8.328 7.657 1.00 10.00 C ATOM 991 CD LYS A 63 -8.425 -8.524 8.137 1.00 10.00 C ATOM 992 CE LYS A 63 -8.294 -9.698 9.123 1.00 10.00 C ATOM 993 NZ LYS A 63 -8.852 -9.399 10.468 1.00 10.00 N ATOM 0 H LYS A 63 -7.576 -7.003 6.170 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.889 -5.531 5.518 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.085 -7.431 6.136 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.550 -8.047 5.556 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.439 -7.846 8.452 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.318 -9.308 7.493 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.779 -8.700 7.277 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.076 -7.609 8.616 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.804 -10.569 8.711 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.242 -9.963 9.224 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -8.905 -10.276 11.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -8.237 -8.716 10.955 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -9.805 -8.995 10.367 1.00 10.00 H new ATOM 1007 N GLU A 64 -9.009 -4.952 8.535 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.297 -4.060 9.676 1.00 10.00 C ATOM 1009 C GLU A 64 -9.186 -2.567 9.312 1.00 10.00 C ATOM 1010 O GLU A 64 -9.696 -1.714 10.042 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.413 -4.435 10.878 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.915 -5.747 11.503 1.00 10.00 C ATOM 1013 CD GLU A 64 -7.865 -6.416 12.404 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.440 -5.818 13.422 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -7.493 -7.576 12.100 1.00 10.00 O ATOM 0 H GLU A 64 -8.064 -5.335 8.547 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.339 -4.210 9.958 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.377 -4.547 10.559 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.434 -3.637 11.620 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.813 -5.546 12.087 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.199 -6.437 10.709 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.611 -2.249 8.144 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.711 -0.932 7.498 1.00 10.00 C ATOM 1024 C TYR A 65 -9.899 -0.823 6.523 1.00 10.00 C ATOM 1025 O TYR A 65 -10.161 0.265 6.007 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.389 -0.602 6.791 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.267 -0.336 7.770 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -6.229 0.899 8.444 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.311 -1.328 8.059 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -5.267 1.131 9.440 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.337 -1.094 9.043 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.333 0.123 9.756 1.00 10.00 C ATOM 1033 OH TYR A 65 -3.429 0.335 10.744 1.00 10.00 O ATOM 0 H TYR A 65 -8.051 -2.914 7.610 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.901 -0.200 8.283 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.111 -1.430 6.139 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.528 0.272 6.154 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.942 1.671 8.194 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.327 -2.267 7.525 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -5.243 2.077 9.961 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.591 -1.846 9.254 1.00 10.00 H new ATOM 0 HH TYR A 65 -3.150 1.274 10.736 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.633 -1.925 6.289 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.752 -2.041 5.332 1.00 10.00 C ATOM 1045 C LYS A 66 -11.424 -1.439 3.952 1.00 10.00 C ATOM 1046 O LYS A 66 -12.222 -0.696 3.374 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.051 -1.491 5.960 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.452 -2.237 7.245 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.781 -1.708 7.798 1.00 10.00 C ATOM 1050 CE LYS A 66 -15.156 -2.467 9.078 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.442 -1.983 9.644 1.00 10.00 N ATOM 0 H LYS A 66 -10.456 -2.800 6.783 1.00 10.00 H new ATOM 0 HA LYS A 66 -11.918 -3.099 5.128 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.921 -0.432 6.185 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.861 -1.566 5.234 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.539 -3.304 7.038 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.670 -2.121 7.996 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.698 -0.642 8.009 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.567 -1.825 7.052 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.231 -3.533 8.861 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.364 -2.348 9.818 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.664 -2.518 10.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.361 -0.972 9.874 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.202 -2.120 8.947 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.221 -1.736 3.444 1.00 10.00 N ATOM 1066 CA ILE A 67 -9.759 -1.294 2.120 1.00 10.00 C ATOM 1067 C ILE A 67 -10.681 -1.854 1.025 1.00 10.00 C ATOM 1068 O ILE A 67 -11.159 -2.986 1.124 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.289 -1.715 1.880 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.317 -1.297 3.004 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -7.779 -1.170 0.532 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -7.254 0.203 3.291 1.00 10.00 C ATOM 0 H ILE A 67 -9.532 -2.297 3.946 1.00 10.00 H new ATOM 0 HA ILE A 67 -9.800 -0.205 2.082 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.302 -2.805 1.870 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.604 -1.813 3.920 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -6.317 -1.642 2.743 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -6.744 -1.478 0.383 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.394 -1.565 -0.276 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -7.837 -0.082 0.534 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -6.543 0.390 4.096 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -6.933 0.732 2.394 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -8.241 0.558 3.589 1.00 10.00 H new ATOM 1084 N ASP A 68 -10.912 -1.077 -0.035 1.00 10.00 N ATOM 1085 CA ASP A 68 -11.767 -1.453 -1.165 1.00 10.00 C ATOM 1086 C ASP A 68 -11.149 -0.978 -2.495 1.00 10.00 C ATOM 1087 O ASP A 68 -10.656 0.146 -2.593 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.170 -0.856 -0.936 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.262 -1.545 -1.765 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -13.993 -1.954 -2.917 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.410 -1.681 -1.280 1.00 10.00 O ATOM 0 H ASP A 68 -10.501 -0.149 -0.135 1.00 10.00 H new ATOM 0 HA ASP A 68 -11.851 -2.538 -1.229 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.423 -0.933 0.122 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.151 0.206 -1.183 1.00 10.00 H new ATOM 1096 N GLU A 69 -11.208 -1.812 -3.536 1.00 10.00 N ATOM 1097 CA GLU A 69 -10.807 -1.482 -4.917 1.00 10.00 C ATOM 1098 C GLU A 69 -11.721 -0.446 -5.608 1.00 10.00 C ATOM 1099 O GLU A 69 -11.433 0.008 -6.719 1.00 10.00 O ATOM 1100 CB GLU A 69 -10.669 -2.775 -5.742 1.00 10.00 C ATOM 1101 CG GLU A 69 -11.918 -3.663 -5.813 1.00 10.00 C ATOM 1102 CD GLU A 69 -11.550 -5.042 -6.391 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -11.516 -5.193 -7.637 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -11.268 -5.982 -5.609 1.00 10.00 O ATOM 0 H GLU A 69 -11.547 -2.770 -3.444 1.00 10.00 H new ATOM 0 HA GLU A 69 -9.836 -0.990 -4.858 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -10.381 -2.505 -6.758 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -9.852 -3.364 -5.325 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -12.349 -3.779 -4.819 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.677 -3.189 -6.436 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.788 -0.017 -4.921 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.662 1.116 -5.290 1.00 10.00 C ATOM 1113 C LYS A 70 -13.123 2.462 -4.771 1.00 10.00 C ATOM 1114 O LYS A 70 -13.557 3.522 -5.225 1.00 10.00 O ATOM 1115 CB LYS A 70 -15.055 0.873 -4.711 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.688 -0.398 -5.297 1.00 10.00 C ATOM 1117 CD LYS A 70 -17.018 -0.672 -4.595 1.00 10.00 C ATOM 1118 CE LYS A 70 -17.353 -2.169 -4.587 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.522 -2.900 -3.596 1.00 10.00 N ATOM 0 H LYS A 70 -13.083 -0.467 -4.054 1.00 10.00 H new ATOM 0 HA LYS A 70 -13.696 1.174 -6.378 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.990 0.783 -3.627 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -15.694 1.731 -4.922 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.848 -0.277 -6.368 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -15.015 -1.246 -5.168 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -16.972 -0.303 -3.570 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -17.815 -0.123 -5.096 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -18.409 -2.307 -4.353 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.190 -2.586 -5.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -16.619 -3.924 -3.750 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -15.525 -2.625 -3.709 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -16.840 -2.663 -2.634 1.00 10.00 H new ATOM 1133 N ASN A 71 -12.154 2.404 -3.855 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.406 3.520 -3.268 1.00 10.00 C ATOM 1135 C ASN A 71 -9.908 3.408 -3.641 1.00 10.00 C ATOM 1136 O ASN A 71 -9.515 2.554 -4.441 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.639 3.510 -1.741 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.090 3.711 -1.326 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -13.883 4.372 -1.984 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.485 3.154 -0.204 1.00 10.00 N ATOM 0 H ASN A 71 -11.848 1.508 -3.475 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.755 4.474 -3.662 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.287 2.561 -1.338 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.032 4.294 -1.288 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.447 3.274 0.114 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.830 2.602 0.350 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.060 4.264 -3.064 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.603 4.196 -3.201 1.00 10.00 C ATOM 1149 C PHE A 72 -6.863 4.506 -1.890 1.00 10.00 C ATOM 1150 O PHE A 72 -7.393 5.122 -0.963 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.119 5.081 -4.366 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.470 6.557 -4.282 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.818 7.400 -3.361 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.429 7.097 -5.160 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.148 8.766 -3.298 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.740 8.467 -5.112 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.107 9.301 -4.173 1.00 10.00 C ATOM 0 H PHE A 72 -9.373 5.038 -2.478 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.353 3.162 -3.440 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.035 4.991 -4.437 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.533 4.683 -5.293 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.063 6.997 -2.702 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.927 6.457 -5.873 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.663 9.405 -2.575 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.466 8.880 -5.797 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.358 10.350 -4.125 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.608 4.069 -1.855 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.610 4.172 -0.783 1.00 10.00 C ATOM 1169 C VAL A 73 -3.457 5.034 -1.314 1.00 10.00 C ATOM 1170 O VAL A 73 -3.218 5.075 -2.520 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.157 2.743 -0.403 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.853 2.641 0.393 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.239 2.019 0.407 1.00 10.00 C ATOM 0 H VAL A 73 -5.219 3.581 -2.662 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.006 4.641 0.118 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.979 2.278 -1.373 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.635 1.594 0.602 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -2.038 3.072 -0.188 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -2.956 3.185 1.332 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.894 1.017 0.661 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.442 2.575 1.322 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.151 1.950 -0.185 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.748 5.758 -0.450 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.650 6.666 -0.836 1.00 10.00 C ATOM 1185 C VAL A 74 -0.349 6.207 -0.174 1.00 10.00 C ATOM 1186 O VAL A 74 -0.353 5.839 0.998 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.977 8.130 -0.469 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.958 9.096 -1.092 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.374 8.561 -0.944 1.00 10.00 C ATOM 0 H VAL A 74 -2.917 5.736 0.556 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.528 6.628 -1.918 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.938 8.174 0.619 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -1.212 10.120 -0.817 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.040 8.859 -0.724 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.978 8.996 -2.177 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.551 9.598 -0.659 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.435 8.467 -2.028 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -4.128 7.924 -0.482 1.00 10.00 H new ATOM 1199 N VAL A 75 0.762 6.232 -0.913 1.00 10.00 N ATOM 1200 CA VAL A 75 2.094 5.776 -0.471 1.00 10.00 C ATOM 1201 C VAL A 75 3.046 6.975 -0.365 1.00 10.00 C ATOM 1202 O VAL A 75 3.052 7.854 -1.232 1.00 10.00 O ATOM 1203 CB VAL A 75 2.676 4.726 -1.445 1.00 10.00 C ATOM 1204 CG1 VAL A 75 3.941 4.065 -0.877 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.680 3.607 -1.788 1.00 10.00 C ATOM 0 H VAL A 75 0.766 6.582 -1.871 1.00 10.00 H new ATOM 0 HA VAL A 75 1.987 5.308 0.508 1.00 10.00 H new ATOM 0 HB VAL A 75 2.911 5.285 -2.351 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.321 3.333 -1.590 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.701 4.826 -0.699 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.701 3.566 0.062 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.148 2.902 -2.475 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.389 3.086 -0.876 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.796 4.038 -2.257 1.00 10.00 H new ATOM 1215 N MET A 76 3.868 7.001 0.686 1.00 10.00 N ATOM 1216 CA MET A 76 4.833 8.065 1.007 1.00 10.00 C ATOM 1217 C MET A 76 6.144 7.456 1.531 1.00 10.00 C ATOM 1218 O MET A 76 6.152 6.299 1.946 1.00 10.00 O ATOM 1219 CB MET A 76 4.199 9.043 2.015 1.00 10.00 C ATOM 1220 CG MET A 76 3.802 8.383 3.346 1.00 10.00 C ATOM 1221 SD MET A 76 2.890 9.469 4.477 1.00 10.00 S ATOM 1222 CE MET A 76 2.578 8.302 5.832 1.00 10.00 C ATOM 0 H MET A 76 3.883 6.246 1.372 1.00 10.00 H new ATOM 0 HA MET A 76 5.082 8.626 0.106 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.902 9.852 2.215 1.00 10.00 H new ATOM 0 HB3 MET A 76 3.315 9.494 1.564 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.192 7.504 3.135 1.00 10.00 H new ATOM 0 HG3 MET A 76 4.704 8.032 3.847 1.00 10.00 H new ATOM 0 HE1 MET A 76 2.021 8.804 6.623 1.00 10.00 H new ATOM 0 HE2 MET A 76 1.997 7.458 5.459 1.00 10.00 H new ATOM 0 HE3 MET A 76 3.528 7.942 6.228 1.00 10.00 H new ATOM 1232 N VAL A 77 7.260 8.193 1.508 1.00 10.00 N ATOM 1233 CA VAL A 77 8.594 7.663 1.868 1.00 10.00 C ATOM 1234 C VAL A 77 9.340 8.643 2.776 1.00 10.00 C ATOM 1235 O VAL A 77 9.580 9.791 2.394 1.00 10.00 O ATOM 1236 CB VAL A 77 9.435 7.340 0.611 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.727 6.602 0.986 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.679 6.456 -0.391 1.00 10.00 C ATOM 0 H VAL A 77 7.271 9.177 1.240 1.00 10.00 H new ATOM 0 HA VAL A 77 8.441 6.732 2.414 1.00 10.00 H new ATOM 0 HB VAL A 77 9.656 8.303 0.151 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.299 6.387 0.083 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.322 7.226 1.653 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.479 5.667 1.489 1.00 10.00 H new ATOM 0 HG21 VAL A 77 9.314 6.259 -1.255 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.412 5.513 0.085 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.773 6.967 -0.716 1.00 10.00 H new ATOM 1248 N THR A 78 9.688 8.203 3.990 1.00 10.00 N ATOM 1249 CA THR A 78 10.485 8.980 4.959 1.00 10.00 C ATOM 1250 C THR A 78 11.406 8.090 5.806 1.00 10.00 C ATOM 1251 O THR A 78 11.088 6.929 6.081 1.00 10.00 O ATOM 1252 CB THR A 78 9.572 9.855 5.836 1.00 10.00 C ATOM 1253 OG1 THR A 78 10.357 10.711 6.637 1.00 10.00 O ATOM 1254 CG2 THR A 78 8.638 9.067 6.759 1.00 10.00 C ATOM 0 H THR A 78 9.422 7.282 4.337 1.00 10.00 H new ATOM 0 HA THR A 78 11.139 9.639 4.389 1.00 10.00 H new ATOM 0 HB THR A 78 8.944 10.409 5.138 1.00 10.00 H new ATOM 0 HG1 THR A 78 9.772 11.267 7.192 1.00 10.00 H new ATOM 0 HG21 THR A 78 8.031 9.761 7.341 1.00 10.00 H new ATOM 0 HG22 THR A 78 7.988 8.429 6.160 1.00 10.00 H new ATOM 0 HG23 THR A 78 9.230 8.449 7.434 1.00 10.00 H new ATOM 1262 N LYS A 79 12.554 8.631 6.239 1.00 10.00 N ATOM 1263 CA LYS A 79 13.539 7.962 7.108 1.00 10.00 C ATOM 1264 C LYS A 79 14.340 9.014 7.899 1.00 10.00 C ATOM 1265 O LYS A 79 14.750 10.008 7.294 1.00 10.00 O ATOM 1266 CB LYS A 79 14.470 7.107 6.211 1.00 10.00 C ATOM 1267 CG LYS A 79 15.257 6.007 6.942 1.00 10.00 C ATOM 1268 CD LYS A 79 14.346 4.865 7.422 1.00 10.00 C ATOM 1269 CE LYS A 79 15.162 3.762 8.108 1.00 10.00 C ATOM 1270 NZ LYS A 79 14.272 2.717 8.677 1.00 10.00 N ATOM 0 H LYS A 79 12.834 9.579 5.986 1.00 10.00 H new ATOM 0 HA LYS A 79 13.040 7.316 7.831 1.00 10.00 H new ATOM 0 HB2 LYS A 79 13.868 6.642 5.430 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.179 7.770 5.715 1.00 10.00 H new ATOM 0 HG2 LYS A 79 16.021 5.605 6.276 1.00 10.00 H new ATOM 0 HG3 LYS A 79 15.775 6.440 7.797 1.00 10.00 H new ATOM 0 HD2 LYS A 79 13.601 5.256 8.115 1.00 10.00 H new ATOM 0 HD3 LYS A 79 13.803 4.447 6.574 1.00 10.00 H new ATOM 0 HE2 LYS A 79 15.846 3.310 7.389 1.00 10.00 H new ATOM 0 HE3 LYS A 79 15.772 4.196 8.900 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 14.839 1.890 8.953 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 13.783 3.095 9.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 13.570 2.433 7.964 1.00 10.00 H new ATOM 1284 N PRO A 80 14.627 8.827 9.205 1.00 10.00 N ATOM 1285 CA PRO A 80 15.318 9.839 10.022 1.00 10.00 C ATOM 1286 C PRO A 80 16.781 10.108 9.620 1.00 10.00 C ATOM 1287 O PRO A 80 17.360 11.114 10.037 1.00 10.00 O ATOM 1288 CB PRO A 80 15.192 9.359 11.473 1.00 10.00 C ATOM 1289 CG PRO A 80 15.019 7.848 11.340 1.00 10.00 C ATOM 1290 CD PRO A 80 14.222 7.708 10.046 1.00 10.00 C ATOM 0 HA PRO A 80 14.849 10.811 9.868 1.00 10.00 H new ATOM 0 HB2 PRO A 80 16.078 9.611 12.057 1.00 10.00 H new ATOM 0 HB3 PRO A 80 14.339 9.817 11.974 1.00 10.00 H new ATOM 0 HG2 PRO A 80 15.979 7.335 11.281 1.00 10.00 H new ATOM 0 HG3 PRO A 80 14.485 7.426 12.191 1.00 10.00 H new ATOM 0 HD2 PRO A 80 14.433 6.756 9.558 1.00 10.00 H new ATOM 0 HD3 PRO A 80 13.150 7.735 10.242 1.00 10.00 H new ATOM 1298 N LYS A 81 17.372 9.250 8.776 1.00 10.00 N ATOM 1299 CA LYS A 81 18.678 9.471 8.124 1.00 10.00 C ATOM 1300 C LYS A 81 18.678 10.657 7.143 1.00 10.00 C ATOM 1301 O LYS A 81 19.728 11.265 6.927 1.00 10.00 O ATOM 1302 CB LYS A 81 19.122 8.187 7.398 1.00 10.00 C ATOM 1303 CG LYS A 81 19.392 7.023 8.366 1.00 10.00 C ATOM 1304 CD LYS A 81 19.927 5.796 7.613 1.00 10.00 C ATOM 1305 CE LYS A 81 20.231 4.660 8.598 1.00 10.00 C ATOM 1306 NZ LYS A 81 20.787 3.470 7.904 1.00 10.00 N ATOM 0 H LYS A 81 16.947 8.359 8.519 1.00 10.00 H new ATOM 0 HA LYS A 81 19.385 9.723 8.915 1.00 10.00 H new ATOM 0 HB2 LYS A 81 18.351 7.891 6.686 1.00 10.00 H new ATOM 0 HB3 LYS A 81 20.025 8.393 6.823 1.00 10.00 H new ATOM 0 HG2 LYS A 81 20.113 7.333 9.122 1.00 10.00 H new ATOM 0 HG3 LYS A 81 18.473 6.761 8.891 1.00 10.00 H new ATOM 0 HD2 LYS A 81 19.194 5.463 6.878 1.00 10.00 H new ATOM 0 HD3 LYS A 81 20.830 6.063 7.064 1.00 10.00 H new ATOM 0 HE2 LYS A 81 20.940 5.009 9.349 1.00 10.00 H new ATOM 0 HE3 LYS A 81 19.319 4.381 9.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 20.981 2.722 8.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 20.100 3.123 7.205 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 21.670 3.731 7.421 1.00 10.00 H new ATOM 1320 N ALA A 82 17.527 10.993 6.553 1.00 10.00 N ATOM 1321 CA ALA A 82 17.367 12.123 5.638 1.00 10.00 C ATOM 1322 C ALA A 82 17.200 13.447 6.414 1.00 10.00 C ATOM 1323 O ALA A 82 16.164 13.685 7.042 1.00 10.00 O ATOM 1324 CB ALA A 82 16.175 11.841 4.713 1.00 10.00 C ATOM 0 H ALA A 82 16.662 10.474 6.703 1.00 10.00 H new ATOM 0 HA ALA A 82 18.264 12.237 5.030 1.00 10.00 H new ATOM 0 HB1 ALA A 82 16.043 12.676 4.024 1.00 10.00 H new ATOM 0 HB2 ALA A 82 16.362 10.929 4.146 1.00 10.00 H new ATOM 0 HB3 ALA A 82 15.272 11.718 5.311 1.00 10.00 H new ATOM 1330 N VAL A 83 18.221 14.310 6.366 1.00 10.00 N ATOM 1331 CA VAL A 83 18.265 15.629 7.031 1.00 10.00 C ATOM 1332 C VAL A 83 18.923 16.693 6.141 1.00 10.00 C ATOM 1333 O VAL A 83 19.703 16.371 5.240 1.00 10.00 O ATOM 1334 CB VAL A 83 18.993 15.563 8.396 1.00 10.00 C ATOM 1335 CG1 VAL A 83 18.211 14.735 9.422 1.00 10.00 C ATOM 1336 CG2 VAL A 83 20.420 15.006 8.309 1.00 10.00 C ATOM 0 H VAL A 83 19.074 14.107 5.845 1.00 10.00 H new ATOM 0 HA VAL A 83 17.229 15.918 7.208 1.00 10.00 H new ATOM 0 HB VAL A 83 19.054 16.602 8.721 1.00 10.00 H new ATOM 0 HG11 VAL A 83 18.757 14.715 10.365 1.00 10.00 H new ATOM 0 HG12 VAL A 83 17.230 15.184 9.580 1.00 10.00 H new ATOM 0 HG13 VAL A 83 18.089 13.717 9.051 1.00 10.00 H new ATOM 0 HG21 VAL A 83 20.866 14.990 9.304 1.00 10.00 H new ATOM 0 HG22 VAL A 83 20.391 13.993 7.908 1.00 10.00 H new ATOM 0 HG23 VAL A 83 21.018 15.639 7.653 1.00 10.00 H new ATOM 1346 N SER A 84 18.614 17.968 6.401 1.00 10.00 N ATOM 1347 CA SER A 84 19.215 19.142 5.746 1.00 10.00 C ATOM 1348 C SER A 84 19.673 20.190 6.776 1.00 10.00 C ATOM 1349 O SER A 84 19.075 20.307 7.852 1.00 10.00 O ATOM 1350 CB SER A 84 18.217 19.744 4.750 1.00 10.00 C ATOM 1351 OG SER A 84 18.852 20.719 3.938 1.00 10.00 O ATOM 0 H SER A 84 17.914 18.223 7.098 1.00 10.00 H new ATOM 0 HA SER A 84 20.104 18.819 5.204 1.00 10.00 H new ATOM 0 HB2 SER A 84 17.800 18.956 4.123 1.00 10.00 H new ATOM 0 HB3 SER A 84 17.385 20.197 5.289 1.00 10.00 H new ATOM 0 HG SER A 84 18.202 21.092 3.307 1.00 10.00 H new ATOM 1357 N THR A 85 20.720 20.955 6.438 1.00 10.00 N ATOM 1358 CA THR A 85 21.391 21.948 7.307 1.00 10.00 C ATOM 1359 C THR A 85 21.795 23.188 6.506 1.00 10.00 C ATOM 1360 O THR A 85 22.547 23.051 5.512 1.00 10.00 O ATOM 1361 CB THR A 85 22.630 21.346 7.992 1.00 10.00 C ATOM 1362 OG1 THR A 85 22.280 20.157 8.676 1.00 10.00 O ATOM 1363 CG2 THR A 85 23.241 22.298 9.025 1.00 10.00 C ATOM 1364 OXT THR A 85 21.337 24.298 6.857 1.00 10.00 O ATOM 0 H THR A 85 21.145 20.901 5.513 1.00 10.00 H new ATOM 0 HA THR A 85 20.677 22.240 8.077 1.00 10.00 H new ATOM 0 HB THR A 85 23.356 21.154 7.202 1.00 10.00 H new ATOM 0 HG1 THR A 85 23.076 19.781 9.107 1.00 10.00 H new ATOM 0 HG21 THR A 85 24.113 21.829 9.481 1.00 10.00 H new ATOM 0 HG22 THR A 85 23.542 23.223 8.534 1.00 10.00 H new ATOM 0 HG23 THR A 85 22.503 22.520 9.796 1.00 10.00 H new TER 1372 THR A 85