USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 867 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 80 LYS NZ :NH3+ 139:sc= 0.387 (180deg=0.0537) USER MOD Set 1.2: A 82 TYR OH : rot -173:sc= -0.427 USER MOD Set 2.1: A 76 MET CE :methyl -124:sc= 0 (180deg=-1.25) USER MOD Set 2.2: A 83 SER OG : rot -110:sc= -0.504 USER MOD Set 3.1: A 27 HIS :FLIP no HD1:sc= -7.42! C(o=-12!,f=-8.8!) USER MOD Set 3.2: A 49 ASN : amide:sc= -1.42 K(o=-8.8,f=-14!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.22) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 0:sc= -0.151 USER MOD Single : A 42 THR OG1 : rot 86:sc= 0.969 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.87! C(o=-5.9!,f=-10!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.65) USER MOD Single : A 60 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.203) USER MOD Single : A 68 CYS SG : rot -120:sc= -1.65! USER MOD Single : A 79 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.4) USER MOD Single : A 87 TYR OH : rot 15:sc= -1.39 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 93 SER OG : rot -166:sc= -1.01 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 101 ASN : amide:sc= -2.23 K(o=-2.2,f=-6.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -119:sc= -0.522 (180deg=-1.6!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3!) USER MOD Single : A 122 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0814) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -24.289 4.667 22.290 1.00 0.00 N ATOM 2 CA GLY A 18 -24.367 5.552 21.143 1.00 0.00 C ATOM 3 C GLY A 18 -23.238 5.326 20.157 1.00 0.00 C ATOM 4 O GLY A 18 -23.476 5.103 18.970 1.00 0.00 O ATOM 0 HA2 GLY A 18 -25.321 5.403 20.638 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -24.345 6.587 21.485 1.00 0.00 H new ATOM 8 N SER A 19 -22.005 5.385 20.650 1.00 0.00 N ATOM 9 CA SER A 19 -20.833 5.190 19.803 1.00 0.00 C ATOM 10 C SER A 19 -21.113 4.153 18.719 1.00 0.00 C ATOM 11 O SER A 19 -21.634 3.073 18.997 1.00 0.00 O ATOM 12 CB SER A 19 -19.634 4.751 20.646 1.00 0.00 C ATOM 13 OG SER A 19 -18.518 4.449 19.828 1.00 0.00 O ATOM 0 H SER A 19 -21.791 5.566 21.631 1.00 0.00 H new ATOM 0 HA SER A 19 -20.601 6.140 19.322 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.370 5.542 21.348 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.903 3.876 21.238 1.00 0.00 H new ATOM 0 HG SER A 19 -17.765 4.173 20.391 1.00 0.00 H new ATOM 19 N SER A 20 -20.763 4.491 17.482 1.00 0.00 N ATOM 20 CA SER A 20 -20.979 3.592 16.354 1.00 0.00 C ATOM 21 C SER A 20 -20.311 4.131 15.093 1.00 0.00 C ATOM 22 O SER A 20 -20.273 5.339 14.865 1.00 0.00 O ATOM 23 CB SER A 20 -22.478 3.400 16.108 1.00 0.00 C ATOM 24 OG SER A 20 -22.707 2.583 14.974 1.00 0.00 O ATOM 0 H SER A 20 -20.329 5.380 17.235 1.00 0.00 H new ATOM 0 HA SER A 20 -20.531 2.629 16.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 -22.939 2.947 16.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 -22.953 4.370 15.963 1.00 0.00 H new ATOM 0 HG SER A 20 -23.671 2.474 14.839 1.00 0.00 H new ATOM 30 N GLY A 21 -19.783 3.224 14.276 1.00 0.00 N ATOM 31 CA GLY A 21 -19.122 3.626 13.049 1.00 0.00 C ATOM 32 C GLY A 21 -18.605 2.444 12.255 1.00 0.00 C ATOM 33 O GLY A 21 -19.145 2.113 11.199 1.00 0.00 O ATOM 0 H GLY A 21 -19.802 2.218 14.443 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -19.819 4.196 12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.292 4.290 13.288 1.00 0.00 H new ATOM 37 N SER A 22 -17.556 1.805 12.761 1.00 0.00 N ATOM 38 CA SER A 22 -16.962 0.655 12.089 1.00 0.00 C ATOM 39 C SER A 22 -16.974 0.845 10.575 1.00 0.00 C ATOM 40 O SER A 22 -17.442 -0.019 9.834 1.00 0.00 O ATOM 41 CB SER A 22 -17.714 -0.623 12.460 1.00 0.00 C ATOM 42 OG SER A 22 -17.798 -0.776 13.866 1.00 0.00 O ATOM 0 H SER A 22 -17.099 2.064 13.635 1.00 0.00 H new ATOM 0 HA SER A 22 -15.927 0.567 12.418 1.00 0.00 H new ATOM 0 HB2 SER A 22 -18.717 -0.595 12.034 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.207 -1.485 12.027 1.00 0.00 H new ATOM 0 HG SER A 22 -18.285 -1.600 14.077 1.00 0.00 H new ATOM 48 N SER A 23 -16.457 1.984 10.123 1.00 0.00 N ATOM 49 CA SER A 23 -16.412 2.291 8.698 1.00 0.00 C ATOM 50 C SER A 23 -15.155 1.710 8.058 1.00 0.00 C ATOM 51 O SER A 23 -15.232 0.881 7.153 1.00 0.00 O ATOM 52 CB SER A 23 -16.458 3.804 8.479 1.00 0.00 C ATOM 53 OG SER A 23 -17.795 4.262 8.371 1.00 0.00 O ATOM 0 H SER A 23 -16.064 2.709 10.723 1.00 0.00 H new ATOM 0 HA SER A 23 -17.283 1.837 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 23 -15.962 4.310 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.908 4.061 7.574 1.00 0.00 H new ATOM 0 HG SER A 23 -17.798 5.232 8.233 1.00 0.00 H new ATOM 59 N GLY A 24 -13.996 2.154 8.536 1.00 0.00 N ATOM 60 CA GLY A 24 -12.738 1.670 7.999 1.00 0.00 C ATOM 61 C GLY A 24 -11.766 1.252 9.084 1.00 0.00 C ATOM 62 O GLY A 24 -12.103 1.270 10.268 1.00 0.00 O ATOM 0 H GLY A 24 -13.906 2.840 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.930 0.822 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.283 2.450 7.389 1.00 0.00 H new ATOM 66 N ALA A 25 -10.558 0.873 8.681 1.00 0.00 N ATOM 67 CA ALA A 25 -9.535 0.449 9.629 1.00 0.00 C ATOM 68 C ALA A 25 -9.002 1.633 10.429 1.00 0.00 C ATOM 69 O ALA A 25 -9.308 1.784 11.612 1.00 0.00 O ATOM 70 CB ALA A 25 -8.397 -0.252 8.900 1.00 0.00 C ATOM 0 H ALA A 25 -10.264 0.851 7.705 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.992 -0.252 10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.640 -0.563 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.784 -1.128 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.951 0.432 8.178 1.00 0.00 H new ATOM 76 N LYS A 26 -8.205 2.472 9.776 1.00 0.00 N ATOM 77 CA LYS A 26 -7.630 3.644 10.425 1.00 0.00 C ATOM 78 C LYS A 26 -7.278 3.342 11.879 1.00 0.00 C ATOM 79 O LYS A 26 -7.682 4.066 12.789 1.00 0.00 O ATOM 80 CB LYS A 26 -8.607 4.819 10.360 1.00 0.00 C ATOM 81 CG LYS A 26 -7.930 6.177 10.428 1.00 0.00 C ATOM 82 CD LYS A 26 -7.413 6.611 9.066 1.00 0.00 C ATOM 83 CE LYS A 26 -6.669 7.935 9.149 1.00 0.00 C ATOM 84 NZ LYS A 26 -7.582 9.097 8.967 1.00 0.00 N ATOM 0 H LYS A 26 -7.942 2.362 8.797 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.715 3.910 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.180 4.754 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.318 4.735 11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.636 6.918 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.103 6.137 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.750 5.844 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.248 6.704 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.172 8.012 10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.890 7.962 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.037 9.980 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.038 9.038 8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.310 9.086 9.709 1.00 0.00 H new ATOM 98 N HIS A 27 -6.520 2.270 12.090 1.00 0.00 N ATOM 99 CA HIS A 27 -6.112 1.875 13.432 1.00 0.00 C ATOM 100 C HIS A 27 -4.873 2.649 13.873 1.00 0.00 C ATOM 101 O HIS A 27 -4.150 3.207 13.048 1.00 0.00 O ATOM 102 CB HIS A 27 -5.833 0.372 13.482 1.00 0.00 C ATOM 103 CG HIS A 27 -5.261 -0.172 12.209 1.00 0.00 C ATOM 104 ND1 HIS A 27 -5.852 -0.467 11.028 1.00 0.00 N flip ATOM 105 CD2 HIS A 27 -3.926 -0.481 12.055 1.00 0.00 C flip ATOM 106 CE1 HIS A 27 -4.873 -0.940 10.190 1.00 0.00 C flip ATOM 107 NE2 HIS A 27 -3.720 -0.938 10.833 1.00 0.00 N flip ATOM 0 H HIS A 27 -6.176 1.660 11.348 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.928 2.108 14.116 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.142 0.166 14.299 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.760 -0.154 13.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.167 -0.367 12.815 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.022 -1.262 9.170 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.823 -1.238 10.451 1.00 0.00 H new ATOM 115 N THR A 28 -4.635 2.679 15.181 1.00 0.00 N ATOM 116 CA THR A 28 -3.486 3.387 15.732 1.00 0.00 C ATOM 117 C THR A 28 -2.264 3.235 14.833 1.00 0.00 C ATOM 118 O THR A 28 -1.590 4.215 14.514 1.00 0.00 O ATOM 119 CB THR A 28 -3.137 2.878 17.144 1.00 0.00 C ATOM 120 OG1 THR A 28 -4.275 3.001 18.004 1.00 0.00 O ATOM 121 CG2 THR A 28 -1.969 3.659 17.726 1.00 0.00 C ATOM 0 H THR A 28 -5.223 2.221 15.878 1.00 0.00 H new ATOM 0 HA THR A 28 -3.762 4.440 15.791 1.00 0.00 H new ATOM 0 HB THR A 28 -2.851 1.829 17.068 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.046 2.674 18.899 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.740 3.282 18.723 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.096 3.540 17.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.232 4.715 17.789 1.00 0.00 H new ATOM 129 N LEU A 29 -1.984 2.002 14.427 1.00 0.00 N ATOM 130 CA LEU A 29 -0.842 1.722 13.563 1.00 0.00 C ATOM 131 C LEU A 29 -0.602 2.869 12.588 1.00 0.00 C ATOM 132 O LEU A 29 0.483 3.451 12.550 1.00 0.00 O ATOM 133 CB LEU A 29 -1.069 0.420 12.792 1.00 0.00 C ATOM 134 CG LEU A 29 0.169 -0.199 12.142 1.00 0.00 C ATOM 135 CD1 LEU A 29 0.035 -1.712 12.073 1.00 0.00 C ATOM 136 CD2 LEU A 29 0.390 0.382 10.753 1.00 0.00 C ATOM 0 H LEU A 29 -2.532 1.180 14.682 1.00 0.00 H new ATOM 0 HA LEU A 29 0.041 1.615 14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.501 -0.312 13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.809 0.606 12.014 1.00 0.00 H new ATOM 0 HG LEU A 29 1.037 0.041 12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.925 -2.135 11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.074 -2.114 13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.843 -1.973 11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.275 -0.070 10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.479 0.173 10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.532 1.460 10.828 1.00 0.00 H new ATOM 148 N LEU A 30 -1.623 3.193 11.800 1.00 0.00 N ATOM 149 CA LEU A 30 -1.525 4.273 10.826 1.00 0.00 C ATOM 150 C LEU A 30 -1.162 5.589 11.507 1.00 0.00 C ATOM 151 O LEU A 30 -0.081 6.136 11.286 1.00 0.00 O ATOM 152 CB LEU A 30 -2.845 4.425 10.069 1.00 0.00 C ATOM 153 CG LEU A 30 -3.060 3.467 8.896 1.00 0.00 C ATOM 154 CD1 LEU A 30 -1.891 3.541 7.926 1.00 0.00 C ATOM 155 CD2 LEU A 30 -3.250 2.043 9.397 1.00 0.00 C ATOM 0 H LEU A 30 -2.528 2.722 11.818 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.735 4.021 10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.664 4.291 10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.911 5.447 9.695 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.965 3.768 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.061 2.853 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.801 4.557 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.971 3.266 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.402 1.376 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.364 1.731 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.120 2.001 10.052 1.00 0.00 H new ATOM 167 N ARG A 31 -2.071 6.091 12.336 1.00 0.00 N ATOM 168 CA ARG A 31 -1.846 7.342 13.050 1.00 0.00 C ATOM 169 C ARG A 31 -0.492 7.330 13.754 1.00 0.00 C ATOM 170 O ARG A 31 0.413 8.084 13.393 1.00 0.00 O ATOM 171 CB ARG A 31 -2.961 7.580 14.070 1.00 0.00 C ATOM 172 CG ARG A 31 -2.793 8.862 14.869 1.00 0.00 C ATOM 173 CD ARG A 31 -4.022 9.157 15.713 1.00 0.00 C ATOM 174 NE ARG A 31 -3.936 10.459 16.370 1.00 0.00 N ATOM 175 CZ ARG A 31 -4.847 10.915 17.221 1.00 0.00 C ATOM 176 NH1 ARG A 31 -5.909 10.177 17.519 1.00 0.00 N ATOM 177 NH2 ARG A 31 -4.699 12.109 17.778 1.00 0.00 N ATOM 0 H ARG A 31 -2.970 5.651 12.530 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.851 8.153 12.321 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.918 7.610 13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.999 6.735 14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.919 8.778 15.514 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.609 9.694 14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.910 9.127 15.082 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.140 8.378 16.466 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.131 11.051 16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.026 9.257 17.094 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.608 10.529 18.173 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.884 12.679 17.553 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.400 12.457 18.432 1.00 0.00 H new ATOM 191 N HIS A 32 -0.361 6.471 14.760 1.00 0.00 N ATOM 192 CA HIS A 32 0.883 6.362 15.514 1.00 0.00 C ATOM 193 C HIS A 32 2.090 6.566 14.604 1.00 0.00 C ATOM 194 O HIS A 32 2.822 7.545 14.739 1.00 0.00 O ATOM 195 CB HIS A 32 0.970 4.998 16.199 1.00 0.00 C ATOM 196 CG HIS A 32 2.375 4.530 16.425 1.00 0.00 C ATOM 197 ND1 HIS A 32 2.870 3.356 15.900 1.00 0.00 N ATOM 198 CD2 HIS A 32 3.391 5.087 17.124 1.00 0.00 C ATOM 199 CE1 HIS A 32 4.131 3.210 16.268 1.00 0.00 C ATOM 200 NE2 HIS A 32 4.471 4.247 17.011 1.00 0.00 N ATOM 0 H HIS A 32 -1.100 5.841 15.072 1.00 0.00 H new ATOM 0 HA HIS A 32 0.888 7.143 16.274 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.454 5.048 17.158 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.444 4.261 15.592 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.358 6.019 17.669 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.774 2.383 16.006 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.387 4.399 17.433 1.00 0.00 H new ATOM 208 N GLU A 33 2.291 5.633 13.678 1.00 0.00 N ATOM 209 CA GLU A 33 3.411 5.711 12.748 1.00 0.00 C ATOM 210 C GLU A 33 3.584 7.134 12.222 1.00 0.00 C ATOM 211 O GLU A 33 4.649 7.734 12.361 1.00 0.00 O ATOM 212 CB GLU A 33 3.201 4.746 11.579 1.00 0.00 C ATOM 213 CG GLU A 33 3.302 3.282 11.975 1.00 0.00 C ATOM 214 CD GLU A 33 4.727 2.856 12.273 1.00 0.00 C ATOM 215 OE1 GLU A 33 5.585 3.742 12.460 1.00 0.00 O ATOM 216 OE2 GLU A 33 4.982 1.634 12.319 1.00 0.00 O ATOM 0 H GLU A 33 1.694 4.816 13.552 1.00 0.00 H new ATOM 0 HA GLU A 33 4.316 5.428 13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.220 4.928 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.941 4.957 10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.682 3.103 12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.902 2.664 11.171 1.00 0.00 H new ATOM 223 N GLY A 34 2.527 7.666 11.614 1.00 0.00 N ATOM 224 CA GLY A 34 2.582 9.012 11.075 1.00 0.00 C ATOM 225 C GLY A 34 2.489 9.035 9.562 1.00 0.00 C ATOM 226 O GLY A 34 3.339 9.622 8.891 1.00 0.00 O ATOM 0 H GLY A 34 1.635 7.189 11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.767 9.602 11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.513 9.487 11.386 1.00 0.00 H new ATOM 230 N ILE A 35 1.457 8.394 9.025 1.00 0.00 N ATOM 231 CA ILE A 35 1.257 8.344 7.582 1.00 0.00 C ATOM 232 C ILE A 35 0.107 9.249 7.154 1.00 0.00 C ATOM 233 O ILE A 35 -0.977 9.208 7.736 1.00 0.00 O ATOM 234 CB ILE A 35 0.973 6.908 7.103 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.173 6.004 7.387 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.637 6.901 5.619 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.893 4.536 7.154 1.00 0.00 C ATOM 0 H ILE A 35 0.747 7.902 9.567 1.00 0.00 H new ATOM 0 HA ILE A 35 2.181 8.695 7.123 1.00 0.00 H new ATOM 0 HB ILE A 35 0.114 6.522 7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.006 6.311 6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.488 6.146 8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.439 5.879 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.246 7.515 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.477 7.304 5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.788 3.955 7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.081 4.213 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.608 4.381 6.114 1.00 0.00 H new ATOM 249 N GLU A 36 0.351 10.062 6.131 1.00 0.00 N ATOM 250 CA GLU A 36 -0.667 10.977 5.624 1.00 0.00 C ATOM 251 C GLU A 36 -1.119 10.566 4.226 1.00 0.00 C ATOM 252 O GLU A 36 -0.313 10.486 3.298 1.00 0.00 O ATOM 253 CB GLU A 36 -0.130 12.408 5.599 1.00 0.00 C ATOM 254 CG GLU A 36 0.294 12.923 6.964 1.00 0.00 C ATOM 255 CD GLU A 36 1.499 12.187 7.518 1.00 0.00 C ATOM 256 OE1 GLU A 36 2.386 11.818 6.720 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.554 11.979 8.748 1.00 0.00 O ATOM 0 H GLU A 36 1.243 10.106 5.637 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.527 10.931 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.722 12.455 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.897 13.068 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.524 13.986 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.539 12.824 7.660 1.00 0.00 H new ATOM 264 N THR A 37 -2.415 10.306 4.082 1.00 0.00 N ATOM 265 CA THR A 37 -2.975 9.902 2.798 1.00 0.00 C ATOM 266 C THR A 37 -3.956 10.945 2.274 1.00 0.00 C ATOM 267 O THR A 37 -4.837 11.404 3.002 1.00 0.00 O ATOM 268 CB THR A 37 -3.692 8.543 2.900 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.910 8.688 3.639 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.803 7.511 3.576 1.00 0.00 C ATOM 0 H THR A 37 -3.096 10.368 4.839 1.00 0.00 H new ATOM 0 HA THR A 37 -2.140 9.811 2.103 1.00 0.00 H new ATOM 0 HB THR A 37 -3.917 8.199 1.891 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.362 7.820 3.699 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.331 6.559 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.889 7.382 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.551 7.850 4.581 1.00 0.00 H new ATOM 278 N VAL A 38 -3.800 11.315 1.007 1.00 0.00 N ATOM 279 CA VAL A 38 -4.674 12.302 0.384 1.00 0.00 C ATOM 280 C VAL A 38 -6.032 11.698 0.046 1.00 0.00 C ATOM 281 O VAL A 38 -6.284 10.522 0.313 1.00 0.00 O ATOM 282 CB VAL A 38 -4.046 12.878 -0.898 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.805 13.693 -0.566 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.714 11.762 -1.877 1.00 0.00 C ATOM 0 H VAL A 38 -3.076 10.946 0.391 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.808 13.107 1.107 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.771 13.541 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.375 14.092 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.076 14.516 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.073 13.056 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.271 12.188 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.007 11.072 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.626 11.226 -2.140 1.00 0.00 H new ATOM 294 N SER A 39 -6.903 12.509 -0.545 1.00 0.00 N ATOM 295 CA SER A 39 -8.238 12.055 -0.919 1.00 0.00 C ATOM 296 C SER A 39 -8.288 11.670 -2.395 1.00 0.00 C ATOM 297 O SER A 39 -8.813 10.617 -2.756 1.00 0.00 O ATOM 298 CB SER A 39 -9.270 13.146 -0.630 1.00 0.00 C ATOM 299 OG SER A 39 -10.558 12.591 -0.435 1.00 0.00 O ATOM 0 H SER A 39 -6.709 13.484 -0.775 1.00 0.00 H new ATOM 0 HA SER A 39 -8.475 11.173 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.974 13.705 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.297 13.854 -1.459 1.00 0.00 H new ATOM 0 HG SER A 39 -11.199 13.309 -0.250 1.00 0.00 H new ATOM 305 N TYR A 40 -7.737 12.532 -3.242 1.00 0.00 N ATOM 306 CA TYR A 40 -7.720 12.284 -4.679 1.00 0.00 C ATOM 307 C TYR A 40 -6.880 11.054 -5.011 1.00 0.00 C ATOM 308 O TYR A 40 -6.200 10.502 -4.147 1.00 0.00 O ATOM 309 CB TYR A 40 -7.174 13.504 -5.422 1.00 0.00 C ATOM 310 CG TYR A 40 -5.675 13.666 -5.298 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.111 14.251 -4.171 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.824 13.238 -6.309 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.743 14.402 -4.053 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.455 13.383 -6.200 1.00 0.00 C ATOM 315 CZ TYR A 40 -2.919 13.966 -5.070 1.00 0.00 C ATOM 316 OH TYR A 40 -1.556 14.114 -4.958 1.00 0.00 O ATOM 0 H TYR A 40 -7.297 13.408 -2.959 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.745 12.099 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.437 13.424 -6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.661 14.401 -5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.753 14.594 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.240 12.784 -7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.321 14.859 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.808 13.042 -6.994 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.343 14.544 -4.103 1.00 0.00 H new ATOM 326 N ALA A 41 -6.933 10.632 -6.270 1.00 0.00 N ATOM 327 CA ALA A 41 -6.176 9.469 -6.718 1.00 0.00 C ATOM 328 C ALA A 41 -4.719 9.832 -6.981 1.00 0.00 C ATOM 329 O ALA A 41 -4.425 10.741 -7.759 1.00 0.00 O ATOM 330 CB ALA A 41 -6.810 8.877 -7.968 1.00 0.00 C ATOM 0 H ALA A 41 -7.492 11.078 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.199 8.722 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.235 8.010 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.833 8.572 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.817 9.624 -8.761 1.00 0.00 H new ATOM 336 N THR A 42 -3.808 9.116 -6.329 1.00 0.00 N ATOM 337 CA THR A 42 -2.381 9.363 -6.492 1.00 0.00 C ATOM 338 C THR A 42 -1.691 8.182 -7.161 1.00 0.00 C ATOM 339 O THR A 42 -2.157 7.046 -7.069 1.00 0.00 O ATOM 340 CB THR A 42 -1.702 9.642 -5.138 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.086 8.647 -4.184 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.075 11.023 -4.619 1.00 0.00 C ATOM 0 H THR A 42 -4.034 8.360 -5.683 1.00 0.00 H new ATOM 0 HA THR A 42 -2.283 10.243 -7.127 1.00 0.00 H new ATOM 0 HB THR A 42 -0.622 9.607 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.489 7.873 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.583 11.197 -3.662 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.754 11.780 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.155 11.083 -4.488 1.00 0.00 H new ATOM 350 N GLN A 43 -0.577 8.455 -7.833 1.00 0.00 N ATOM 351 CA GLN A 43 0.178 7.411 -8.518 1.00 0.00 C ATOM 352 C GLN A 43 0.806 6.448 -7.516 1.00 0.00 C ATOM 353 O GLN A 43 1.223 5.347 -7.876 1.00 0.00 O ATOM 354 CB GLN A 43 1.264 8.032 -9.397 1.00 0.00 C ATOM 355 CG GLN A 43 0.789 8.379 -10.798 1.00 0.00 C ATOM 356 CD GLN A 43 1.837 9.123 -11.602 1.00 0.00 C ATOM 357 OE1 GLN A 43 1.996 10.335 -11.465 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.560 8.397 -12.449 1.00 0.00 N ATOM 0 H GLN A 43 -0.177 9.390 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.513 6.851 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.637 8.936 -8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.102 7.339 -9.468 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.517 7.463 -11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.112 8.988 -10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.395 7.394 -12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.280 8.843 -13.017 1.00 0.00 H new ATOM 367 N SER A 44 0.870 6.870 -6.257 1.00 0.00 N ATOM 368 CA SER A 44 1.451 6.046 -5.203 1.00 0.00 C ATOM 369 C SER A 44 0.379 5.579 -4.225 1.00 0.00 C ATOM 370 O SER A 44 -0.662 6.221 -4.072 1.00 0.00 O ATOM 371 CB SER A 44 2.535 6.826 -4.457 1.00 0.00 C ATOM 372 OG SER A 44 3.487 7.365 -5.357 1.00 0.00 O ATOM 0 H SER A 44 0.527 7.777 -5.942 1.00 0.00 H new ATOM 0 HA SER A 44 1.900 5.168 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.077 7.631 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.035 6.169 -3.745 1.00 0.00 H new ATOM 0 HG SER A 44 4.168 7.860 -4.855 1.00 0.00 H new ATOM 378 N LEU A 45 0.639 4.456 -3.563 1.00 0.00 N ATOM 379 CA LEU A 45 -0.305 3.902 -2.598 1.00 0.00 C ATOM 380 C LEU A 45 0.424 3.388 -1.359 1.00 0.00 C ATOM 381 O LEU A 45 1.627 3.131 -1.395 1.00 0.00 O ATOM 382 CB LEU A 45 -1.111 2.770 -3.236 1.00 0.00 C ATOM 383 CG LEU A 45 -2.084 3.180 -4.341 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.584 1.956 -5.094 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.252 3.965 -3.761 1.00 0.00 C ATOM 0 H LEU A 45 1.494 3.912 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.986 4.697 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.413 2.040 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.675 2.265 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.554 3.823 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.276 2.268 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.739 1.435 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.096 1.287 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.934 4.248 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.781 3.347 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.878 4.863 -3.269 1.00 0.00 H new ATOM 397 N VAL A 46 -0.315 3.239 -0.264 1.00 0.00 N ATOM 398 CA VAL A 46 0.258 2.753 0.984 1.00 0.00 C ATOM 399 C VAL A 46 -0.477 1.513 1.481 1.00 0.00 C ATOM 400 O VAL A 46 -1.670 1.564 1.784 1.00 0.00 O ATOM 401 CB VAL A 46 0.216 3.835 2.081 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.220 4.139 2.476 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.030 3.399 3.290 1.00 0.00 C ATOM 0 H VAL A 46 -1.312 3.448 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 46 1.297 2.497 0.776 1.00 0.00 H new ATOM 0 HB VAL A 46 0.659 4.748 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.230 4.905 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.769 4.497 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.693 3.233 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.990 4.175 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.619 2.472 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.066 3.237 2.992 1.00 0.00 H new ATOM 413 N VAL A 47 0.243 0.398 1.563 1.00 0.00 N ATOM 414 CA VAL A 47 -0.341 -0.855 2.025 1.00 0.00 C ATOM 415 C VAL A 47 -0.383 -0.914 3.548 1.00 0.00 C ATOM 416 O VAL A 47 0.648 -0.819 4.212 1.00 0.00 O ATOM 417 CB VAL A 47 0.448 -2.069 1.498 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.406 -3.326 1.555 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.937 -1.811 0.081 1.00 0.00 C ATOM 0 H VAL A 47 1.231 0.338 1.316 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.358 -0.893 1.635 1.00 0.00 H new ATOM 0 HB VAL A 47 1.318 -2.220 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.168 -4.173 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.703 -3.518 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.296 -3.189 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.492 -2.678 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.083 -1.633 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.587 -0.936 0.074 1.00 0.00 H new ATOM 429 N ALA A 48 -1.584 -1.071 4.094 1.00 0.00 N ATOM 430 CA ALA A 48 -1.762 -1.145 5.540 1.00 0.00 C ATOM 431 C ALA A 48 -1.802 -2.594 6.015 1.00 0.00 C ATOM 432 O ALA A 48 -2.025 -3.510 5.224 1.00 0.00 O ATOM 433 CB ALA A 48 -3.033 -0.417 5.953 1.00 0.00 C ATOM 0 H ALA A 48 -2.448 -1.149 3.558 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.908 -0.659 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.153 -0.480 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.966 0.630 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.891 -0.878 5.465 1.00 0.00 H new ATOM 439 N ASN A 49 -1.583 -2.794 7.311 1.00 0.00 N ATOM 440 CA ASN A 49 -1.593 -4.132 7.890 1.00 0.00 C ATOM 441 C ASN A 49 -0.711 -5.081 7.084 1.00 0.00 C ATOM 442 O ASN A 49 -0.916 -6.294 7.093 1.00 0.00 O ATOM 443 CB ASN A 49 -3.023 -4.674 7.951 1.00 0.00 C ATOM 444 CG ASN A 49 -3.906 -3.872 8.888 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.444 -3.359 9.908 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.184 -3.759 8.546 1.00 0.00 N ATOM 0 H ASN A 49 -1.397 -2.046 7.979 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.194 -4.065 8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.456 -4.663 6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.001 -5.714 8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.825 -3.231 9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.524 -4.200 7.692 1.00 0.00 H new ATOM 453 N GLY A 50 0.270 -4.518 6.385 1.00 0.00 N ATOM 454 CA GLY A 50 1.169 -5.329 5.584 1.00 0.00 C ATOM 455 C GLY A 50 2.624 -5.111 5.945 1.00 0.00 C ATOM 456 O GLY A 50 3.004 -5.215 7.111 1.00 0.00 O ATOM 0 H GLY A 50 0.458 -3.516 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.919 -6.382 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.021 -5.096 4.529 1.00 0.00 H new ATOM 460 N GLY A 51 3.443 -4.809 4.943 1.00 0.00 N ATOM 461 CA GLY A 51 4.857 -4.582 5.182 1.00 0.00 C ATOM 462 C GLY A 51 5.569 -5.830 5.667 1.00 0.00 C ATOM 463 O GLY A 51 4.956 -6.707 6.277 1.00 0.00 O ATOM 0 H GLY A 51 3.153 -4.717 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.327 -4.233 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.975 -3.789 5.921 1.00 0.00 H new ATOM 467 N LEU A 52 6.867 -5.911 5.396 1.00 0.00 N ATOM 468 CA LEU A 52 7.664 -7.061 5.808 1.00 0.00 C ATOM 469 C LEU A 52 7.327 -7.472 7.238 1.00 0.00 C ATOM 470 O LEU A 52 7.067 -8.643 7.512 1.00 0.00 O ATOM 471 CB LEU A 52 9.156 -6.739 5.696 1.00 0.00 C ATOM 472 CG LEU A 52 9.650 -6.321 4.311 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.983 -5.597 4.416 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.771 -7.535 3.400 1.00 0.00 C ATOM 0 H LEU A 52 7.390 -5.194 4.893 1.00 0.00 H new ATOM 0 HA LEU A 52 7.427 -7.893 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.388 -5.939 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.721 -7.616 6.012 1.00 0.00 H new ATOM 0 HG LEU A 52 8.921 -5.636 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.319 -5.307 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.866 -4.706 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.721 -6.258 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.124 -7.219 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.479 -8.243 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.796 -8.013 3.299 1.00 0.00 H new ATOM 486 N GLY A 53 7.332 -6.501 8.145 1.00 0.00 N ATOM 487 CA GLY A 53 7.023 -6.782 9.535 1.00 0.00 C ATOM 488 C GLY A 53 5.855 -7.736 9.687 1.00 0.00 C ATOM 489 O GLY A 53 5.842 -8.572 10.590 1.00 0.00 O ATOM 0 H GLY A 53 7.545 -5.524 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.901 -7.207 10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.795 -5.848 10.049 1.00 0.00 H new ATOM 493 N ASN A 54 4.870 -7.610 8.804 1.00 0.00 N ATOM 494 CA ASN A 54 3.690 -8.467 8.846 1.00 0.00 C ATOM 495 C ASN A 54 3.948 -9.782 8.118 1.00 0.00 C ATOM 496 O ASN A 54 3.027 -10.395 7.578 1.00 0.00 O ATOM 497 CB ASN A 54 2.492 -7.750 8.221 1.00 0.00 C ATOM 498 CG ASN A 54 2.034 -6.561 9.044 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.836 -5.915 9.720 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.740 -6.268 8.992 1.00 0.00 N ATOM 0 H ASN A 54 4.865 -6.923 8.050 1.00 0.00 H new ATOM 0 HA ASN A 54 3.468 -8.688 9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.756 -7.414 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.666 -8.454 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.374 -5.480 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.112 -6.831 8.418 1.00 0.00 H new ATOM 507 N GLY A 55 5.206 -10.210 8.107 1.00 0.00 N ATOM 508 CA GLY A 55 5.563 -11.451 7.442 1.00 0.00 C ATOM 509 C GLY A 55 5.162 -11.461 5.980 1.00 0.00 C ATOM 510 O GLY A 55 5.011 -12.524 5.378 1.00 0.00 O ATOM 0 H GLY A 55 5.985 -9.720 8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.639 -11.606 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.082 -12.285 7.953 1.00 0.00 H new ATOM 514 N VAL A 56 4.990 -10.273 5.408 1.00 0.00 N ATOM 515 CA VAL A 56 4.604 -10.150 4.007 1.00 0.00 C ATOM 516 C VAL A 56 5.811 -9.834 3.131 1.00 0.00 C ATOM 517 O VAL A 56 6.328 -8.717 3.148 1.00 0.00 O ATOM 518 CB VAL A 56 3.541 -9.052 3.812 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.256 -8.841 2.334 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.267 -9.405 4.565 1.00 0.00 C ATOM 0 H VAL A 56 5.112 -9.384 5.892 1.00 0.00 H new ATOM 0 HA VAL A 56 4.183 -11.110 3.709 1.00 0.00 H new ATOM 0 HB VAL A 56 3.929 -8.118 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.503 -8.062 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.172 -8.540 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.888 -9.770 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.527 -8.619 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.873 -10.350 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.487 -9.500 5.628 1.00 0.00 H new ATOM 530 N SER A 57 6.255 -10.826 2.365 1.00 0.00 N ATOM 531 CA SER A 57 7.404 -10.655 1.484 1.00 0.00 C ATOM 532 C SER A 57 7.005 -9.923 0.206 1.00 0.00 C ATOM 533 O SER A 57 5.842 -9.945 -0.197 1.00 0.00 O ATOM 534 CB SER A 57 8.014 -12.014 1.136 1.00 0.00 C ATOM 535 OG SER A 57 8.538 -12.648 2.291 1.00 0.00 O ATOM 0 H SER A 57 5.836 -11.756 2.337 1.00 0.00 H new ATOM 0 HA SER A 57 8.147 -10.055 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.256 -12.651 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.806 -11.883 0.398 1.00 0.00 H new ATOM 0 HG SER A 57 8.921 -13.515 2.043 1.00 0.00 H new ATOM 541 N ARG A 58 7.978 -9.276 -0.426 1.00 0.00 N ATOM 542 CA ARG A 58 7.728 -8.535 -1.658 1.00 0.00 C ATOM 543 C ARG A 58 7.180 -9.456 -2.743 1.00 0.00 C ATOM 544 O ARG A 58 6.257 -9.093 -3.471 1.00 0.00 O ATOM 545 CB ARG A 58 9.015 -7.865 -2.144 1.00 0.00 C ATOM 546 CG ARG A 58 8.957 -7.415 -3.594 1.00 0.00 C ATOM 547 CD ARG A 58 10.223 -6.678 -4.000 1.00 0.00 C ATOM 548 NE ARG A 58 11.258 -7.590 -4.477 1.00 0.00 N ATOM 549 CZ ARG A 58 12.109 -8.221 -3.675 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.047 -8.038 -2.363 1.00 0.00 N ATOM 551 NH2 ARG A 58 13.024 -9.036 -4.184 1.00 0.00 N ATOM 0 H ARG A 58 8.946 -9.249 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 58 6.984 -7.767 -1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.226 -7.002 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.845 -8.560 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.817 -8.282 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.094 -6.765 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.987 -5.956 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.602 -6.113 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 58 11.332 -7.752 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.345 -7.412 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.701 -8.523 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.075 -9.179 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.676 -9.519 -3.567 1.00 0.00 H new ATOM 565 N ASN A 59 7.756 -10.649 -2.847 1.00 0.00 N ATOM 566 CA ASN A 59 7.326 -11.621 -3.845 1.00 0.00 C ATOM 567 C ASN A 59 5.957 -12.194 -3.492 1.00 0.00 C ATOM 568 O ASN A 59 5.395 -12.992 -4.243 1.00 0.00 O ATOM 569 CB ASN A 59 8.350 -12.753 -3.960 1.00 0.00 C ATOM 570 CG ASN A 59 7.842 -13.909 -4.801 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.574 -13.754 -5.992 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.708 -15.076 -4.181 1.00 0.00 N ATOM 0 H ASN A 59 8.522 -10.966 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 59 7.250 -11.109 -4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.269 -12.365 -4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.601 -13.115 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.371 -15.890 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.942 -15.158 -3.192 1.00 0.00 H new ATOM 579 N GLN A 60 5.426 -11.780 -2.346 1.00 0.00 N ATOM 580 CA GLN A 60 4.123 -12.252 -1.894 1.00 0.00 C ATOM 581 C GLN A 60 3.074 -11.150 -2.010 1.00 0.00 C ATOM 582 O GLN A 60 1.883 -11.425 -2.154 1.00 0.00 O ATOM 583 CB GLN A 60 4.208 -12.741 -0.446 1.00 0.00 C ATOM 584 CG GLN A 60 2.866 -12.762 0.268 1.00 0.00 C ATOM 585 CD GLN A 60 1.932 -13.827 -0.275 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.350 -14.715 -1.017 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.659 -13.742 0.094 1.00 0.00 N ATOM 0 H GLN A 60 5.878 -11.119 -1.714 1.00 0.00 H new ATOM 0 HA GLN A 60 3.824 -13.082 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.632 -13.745 -0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.894 -12.099 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.028 -12.934 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.392 -11.785 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.356 -12.988 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.016 -14.430 -0.240 1.00 0.00 H new ATOM 596 N LEU A 61 3.526 -9.902 -1.946 1.00 0.00 N ATOM 597 CA LEU A 61 2.626 -8.757 -2.044 1.00 0.00 C ATOM 598 C LEU A 61 2.601 -8.206 -3.465 1.00 0.00 C ATOM 599 O LEU A 61 1.546 -7.824 -3.975 1.00 0.00 O ATOM 600 CB LEU A 61 3.056 -7.662 -1.066 1.00 0.00 C ATOM 601 CG LEU A 61 2.002 -6.604 -0.738 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.789 -7.245 -0.081 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.589 -5.525 0.159 1.00 0.00 C ATOM 0 H LEU A 61 4.509 -9.657 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 61 1.621 -9.091 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.368 -8.136 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.931 -7.159 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 61 1.681 -6.138 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.049 -6.477 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.354 -7.979 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.093 -7.739 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.824 -4.781 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.939 -5.975 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.425 -5.045 -0.349 1.00 0.00 H new ATOM 615 N LEU A 62 3.766 -8.167 -4.101 1.00 0.00 N ATOM 616 CA LEU A 62 3.878 -7.665 -5.466 1.00 0.00 C ATOM 617 C LEU A 62 2.950 -8.428 -6.405 1.00 0.00 C ATOM 618 O LEU A 62 2.277 -7.850 -7.258 1.00 0.00 O ATOM 619 CB LEU A 62 5.323 -7.776 -5.955 1.00 0.00 C ATOM 620 CG LEU A 62 5.520 -7.771 -7.472 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.383 -6.360 -8.022 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.876 -8.358 -7.834 1.00 0.00 C ATOM 0 H LEU A 62 4.648 -8.477 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 62 3.581 -6.616 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.893 -6.949 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.751 -8.696 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 62 4.746 -8.391 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.526 -6.375 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.389 -5.975 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.135 -5.717 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.000 -8.347 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.665 -7.764 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.936 -9.384 -7.472 1.00 0.00 H new ATOM 634 N PRO A 63 2.911 -9.760 -6.245 1.00 0.00 N ATOM 635 CA PRO A 63 2.066 -10.631 -7.068 1.00 0.00 C ATOM 636 C PRO A 63 0.636 -10.116 -7.178 1.00 0.00 C ATOM 637 O PRO A 63 -0.008 -10.260 -8.217 1.00 0.00 O ATOM 638 CB PRO A 63 2.100 -11.966 -6.320 1.00 0.00 C ATOM 639 CG PRO A 63 3.387 -11.949 -5.570 1.00 0.00 C ATOM 640 CD PRO A 63 3.687 -10.517 -5.249 1.00 0.00 C ATOM 0 HA PRO A 63 2.423 -10.694 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.250 -12.063 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.056 -12.808 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.310 -12.541 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.187 -12.386 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.386 -10.264 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.753 -10.305 -5.328 1.00 0.00 H new ATOM 648 N VAL A 64 0.143 -9.517 -6.099 1.00 0.00 N ATOM 649 CA VAL A 64 -1.212 -8.980 -6.074 1.00 0.00 C ATOM 650 C VAL A 64 -1.272 -7.609 -6.740 1.00 0.00 C ATOM 651 O VAL A 64 -2.301 -7.220 -7.293 1.00 0.00 O ATOM 652 CB VAL A 64 -1.744 -8.862 -4.634 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.199 -8.418 -4.635 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.583 -10.185 -3.897 1.00 0.00 C ATOM 0 H VAL A 64 0.662 -9.391 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.839 -9.679 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.159 -8.106 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.556 -8.341 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.283 -7.447 -5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.802 -9.148 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.964 -10.084 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.142 -10.962 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.528 -10.457 -3.864 1.00 0.00 H new ATOM 664 N LEU A 65 -0.162 -6.881 -6.683 1.00 0.00 N ATOM 665 CA LEU A 65 -0.087 -5.552 -7.280 1.00 0.00 C ATOM 666 C LEU A 65 0.142 -5.645 -8.786 1.00 0.00 C ATOM 667 O LEU A 65 -0.123 -4.695 -9.522 1.00 0.00 O ATOM 668 CB LEU A 65 1.036 -4.742 -6.631 1.00 0.00 C ATOM 669 CG LEU A 65 0.914 -4.516 -5.123 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.233 -4.021 -4.550 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.205 -3.531 -4.820 1.00 0.00 C ATOM 0 H LEU A 65 0.698 -7.189 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.037 -5.048 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.982 -5.247 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.086 -3.770 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 65 0.670 -5.467 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.128 -3.866 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.011 -4.762 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.507 -3.080 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.277 -3.382 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.008 -2.578 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.149 -3.926 -5.196 1.00 0.00 H new ATOM 683 N GLU A 66 0.633 -6.796 -9.235 1.00 0.00 N ATOM 684 CA GLU A 66 0.896 -7.012 -10.653 1.00 0.00 C ATOM 685 C GLU A 66 -0.385 -7.384 -11.393 1.00 0.00 C ATOM 686 O GLU A 66 -0.683 -6.838 -12.456 1.00 0.00 O ATOM 687 CB GLU A 66 1.944 -8.111 -10.837 1.00 0.00 C ATOM 688 CG GLU A 66 3.311 -7.750 -10.282 1.00 0.00 C ATOM 689 CD GLU A 66 4.332 -8.853 -10.482 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.373 -9.782 -9.649 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.090 -8.786 -11.472 1.00 0.00 O ATOM 0 H GLU A 66 0.856 -7.592 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 66 1.279 -6.082 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.593 -9.021 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.040 -8.335 -11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.666 -6.840 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.221 -7.532 -9.218 1.00 0.00 H new ATOM 698 N LYS A 67 -1.139 -8.319 -10.825 1.00 0.00 N ATOM 699 CA LYS A 67 -2.389 -8.766 -11.429 1.00 0.00 C ATOM 700 C LYS A 67 -3.324 -7.587 -11.679 1.00 0.00 C ATOM 701 O LYS A 67 -4.021 -7.540 -12.694 1.00 0.00 O ATOM 702 CB LYS A 67 -3.076 -9.793 -10.527 1.00 0.00 C ATOM 703 CG LYS A 67 -3.105 -9.393 -9.062 1.00 0.00 C ATOM 704 CD LYS A 67 -4.298 -9.999 -8.341 1.00 0.00 C ATOM 705 CE LYS A 67 -3.969 -11.371 -7.774 1.00 0.00 C ATOM 706 NZ LYS A 67 -4.087 -12.440 -8.805 1.00 0.00 N ATOM 0 H LYS A 67 -0.906 -8.782 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.155 -9.231 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.098 -9.943 -10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.563 -10.750 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.184 -9.716 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.144 -8.307 -8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.612 -9.337 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.138 -10.081 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.956 -11.364 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.640 -11.591 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.142 -13.368 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.947 -12.285 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.255 -12.415 -9.428 1.00 0.00 H new ATOM 720 N CYS A 68 -3.334 -6.637 -10.750 1.00 0.00 N ATOM 721 CA CYS A 68 -4.183 -5.458 -10.871 1.00 0.00 C ATOM 722 C CYS A 68 -3.665 -4.523 -11.959 1.00 0.00 C ATOM 723 O CYS A 68 -4.354 -4.257 -12.944 1.00 0.00 O ATOM 724 CB CYS A 68 -4.254 -4.715 -9.536 1.00 0.00 C ATOM 725 SG CYS A 68 -5.538 -5.327 -8.419 1.00 0.00 S ATOM 0 H CYS A 68 -2.763 -6.661 -9.905 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.184 -5.790 -11.148 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.287 -4.791 -9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.430 -3.657 -9.730 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.374 -4.368 -8.151 1.00 0.00 H new ATOM 731 N GLY A 69 -2.445 -4.028 -11.775 1.00 0.00 N ATOM 732 CA GLY A 69 -1.855 -3.127 -12.748 1.00 0.00 C ATOM 733 C GLY A 69 -0.345 -3.239 -12.801 1.00 0.00 C ATOM 734 O GLY A 69 0.248 -4.071 -12.112 1.00 0.00 O ATOM 0 H GLY A 69 -1.855 -4.235 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.267 -3.342 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.132 -2.101 -12.503 1.00 0.00 H new ATOM 738 N LEU A 70 0.281 -2.399 -13.619 1.00 0.00 N ATOM 739 CA LEU A 70 1.732 -2.408 -13.760 1.00 0.00 C ATOM 740 C LEU A 70 2.403 -1.803 -12.530 1.00 0.00 C ATOM 741 O LEU A 70 2.095 -0.680 -12.131 1.00 0.00 O ATOM 742 CB LEU A 70 2.148 -1.635 -15.013 1.00 0.00 C ATOM 743 CG LEU A 70 1.729 -2.250 -16.350 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.812 -1.216 -17.462 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.597 -3.457 -16.676 1.00 0.00 C ATOM 0 H LEU A 70 -0.194 -1.704 -14.194 1.00 0.00 H new ATOM 0 HA LEU A 70 2.056 -3.444 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.731 -0.630 -14.951 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.233 -1.530 -15.008 1.00 0.00 H new ATOM 0 HG LEU A 70 0.694 -2.583 -16.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.510 -1.671 -18.405 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.149 -0.382 -17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.836 -0.853 -17.545 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.285 -3.882 -17.630 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.640 -3.148 -16.740 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.488 -4.206 -15.892 1.00 0.00 H new ATOM 757 N VAL A 71 3.323 -2.555 -11.935 1.00 0.00 N ATOM 758 CA VAL A 71 4.041 -2.091 -10.753 1.00 0.00 C ATOM 759 C VAL A 71 5.374 -1.456 -11.132 1.00 0.00 C ATOM 760 O VAL A 71 6.336 -2.153 -11.452 1.00 0.00 O ATOM 761 CB VAL A 71 4.297 -3.245 -9.764 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.192 -2.781 -8.624 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.982 -3.794 -9.234 1.00 0.00 C ATOM 0 H VAL A 71 3.589 -3.488 -12.251 1.00 0.00 H new ATOM 0 HA VAL A 71 3.410 -1.343 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 71 4.811 -4.048 -10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.362 -3.608 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.146 -2.441 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.709 -1.961 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.182 -4.608 -8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.438 -3.002 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.382 -4.166 -10.064 1.00 0.00 H new ATOM 773 N ASP A 72 5.422 -0.129 -11.094 1.00 0.00 N ATOM 774 CA ASP A 72 6.637 0.603 -11.432 1.00 0.00 C ATOM 775 C ASP A 72 7.703 0.413 -10.357 1.00 0.00 C ATOM 776 O ASP A 72 8.825 0.001 -10.647 1.00 0.00 O ATOM 777 CB ASP A 72 6.330 2.091 -11.609 1.00 0.00 C ATOM 778 CG ASP A 72 7.538 2.879 -12.077 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.442 2.272 -12.689 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.578 4.102 -11.832 1.00 0.00 O ATOM 0 H ASP A 72 4.633 0.462 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 72 7.021 0.206 -12.372 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.521 2.209 -12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.976 2.501 -10.663 1.00 0.00 H new ATOM 785 N ALA A 73 7.342 0.718 -9.114 1.00 0.00 N ATOM 786 CA ALA A 73 8.265 0.581 -7.996 1.00 0.00 C ATOM 787 C ALA A 73 7.517 0.304 -6.697 1.00 0.00 C ATOM 788 O ALA A 73 6.608 1.045 -6.321 1.00 0.00 O ATOM 789 CB ALA A 73 9.118 1.834 -7.859 1.00 0.00 C ATOM 0 H ALA A 73 6.417 1.062 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 73 8.917 -0.269 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.803 1.718 -7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.689 1.987 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.474 2.696 -7.685 1.00 0.00 H new ATOM 795 N LEU A 74 7.904 -0.769 -6.014 1.00 0.00 N ATOM 796 CA LEU A 74 7.268 -1.145 -4.756 1.00 0.00 C ATOM 797 C LEU A 74 8.224 -0.949 -3.583 1.00 0.00 C ATOM 798 O LEU A 74 9.098 -1.779 -3.334 1.00 0.00 O ATOM 799 CB LEU A 74 6.805 -2.601 -4.812 1.00 0.00 C ATOM 800 CG LEU A 74 6.465 -3.251 -3.470 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.172 -2.676 -2.912 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.359 -4.761 -3.619 1.00 0.00 C ATOM 0 H LEU A 74 8.654 -1.393 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 74 6.402 -0.500 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.925 -2.657 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.586 -3.191 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 74 7.270 -3.032 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.945 -3.150 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.285 -1.602 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.358 -2.864 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.117 -5.206 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.575 -5.002 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.310 -5.159 -3.973 1.00 0.00 H new ATOM 814 N LEU A 75 8.050 0.154 -2.864 1.00 0.00 N ATOM 815 CA LEU A 75 8.896 0.460 -1.715 1.00 0.00 C ATOM 816 C LEU A 75 8.432 -0.305 -0.479 1.00 0.00 C ATOM 817 O LEU A 75 7.293 -0.157 -0.037 1.00 0.00 O ATOM 818 CB LEU A 75 8.882 1.963 -1.433 1.00 0.00 C ATOM 819 CG LEU A 75 9.777 2.439 -0.288 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.240 2.404 -0.703 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.379 3.840 0.154 1.00 0.00 C ATOM 0 H LEU A 75 7.331 0.852 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 75 9.914 0.150 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.180 2.486 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.857 2.262 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 75 9.644 1.762 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.861 2.746 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.519 1.384 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.390 3.057 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.027 4.162 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.481 4.529 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.343 3.834 0.494 1.00 0.00 H new ATOM 833 N MET A 76 9.322 -1.121 0.074 1.00 0.00 N ATOM 834 CA MET A 76 9.005 -1.906 1.261 1.00 0.00 C ATOM 835 C MET A 76 10.003 -1.628 2.380 1.00 0.00 C ATOM 836 O MET A 76 11.091 -2.201 2.432 1.00 0.00 O ATOM 837 CB MET A 76 9.002 -3.399 0.925 1.00 0.00 C ATOM 838 CG MET A 76 7.845 -3.819 0.034 1.00 0.00 C ATOM 839 SD MET A 76 7.559 -5.599 0.058 1.00 0.00 S ATOM 840 CE MET A 76 6.754 -5.790 1.646 1.00 0.00 C ATOM 0 H MET A 76 10.269 -1.256 -0.281 1.00 0.00 H new ATOM 0 HA MET A 76 8.012 -1.615 1.603 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.940 -3.654 0.432 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.963 -3.972 1.852 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.939 -3.305 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.046 -3.501 -0.989 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.305 -6.511 2.249 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.731 -4.829 2.160 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.735 -6.146 1.497 1.00 0.00 H new ATOM 850 N PRO A 77 9.627 -0.725 3.298 1.00 0.00 N ATOM 851 CA PRO A 77 10.474 -0.350 4.434 1.00 0.00 C ATOM 852 C PRO A 77 10.611 -1.476 5.454 1.00 0.00 C ATOM 853 O PRO A 77 9.634 -2.122 5.835 1.00 0.00 O ATOM 854 CB PRO A 77 9.737 0.842 5.049 1.00 0.00 C ATOM 855 CG PRO A 77 8.314 0.651 4.654 1.00 0.00 C ATOM 856 CD PRO A 77 8.344 -0.003 3.300 1.00 0.00 C ATOM 0 HA PRO A 77 11.494 -0.124 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.848 0.860 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.129 1.787 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.789 0.027 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.788 1.605 4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.501 -0.681 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.296 0.733 2.497 1.00 0.00 H new ATOM 864 N PRO A 78 11.849 -1.719 5.906 1.00 0.00 N ATOM 865 CA PRO A 78 12.142 -2.768 6.888 1.00 0.00 C ATOM 866 C PRO A 78 11.596 -2.434 8.272 1.00 0.00 C ATOM 867 O PRO A 78 11.636 -1.283 8.704 1.00 0.00 O ATOM 868 CB PRO A 78 13.672 -2.814 6.913 1.00 0.00 C ATOM 869 CG PRO A 78 14.098 -1.453 6.478 1.00 0.00 C ATOM 870 CD PRO A 78 13.060 -0.989 5.494 1.00 0.00 C ATOM 0 HA PRO A 78 11.678 -3.718 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.045 -3.046 7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.056 -3.583 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.161 -0.774 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.086 -1.482 6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.915 0.090 5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.343 -1.227 4.469 1.00 0.00 H new ATOM 878 N ASN A 79 11.086 -3.449 8.963 1.00 0.00 N ATOM 879 CA ASN A 79 10.532 -3.262 10.298 1.00 0.00 C ATOM 880 C ASN A 79 9.338 -2.314 10.264 1.00 0.00 C ATOM 881 O ASN A 79 9.110 -1.550 11.202 1.00 0.00 O ATOM 882 CB ASN A 79 11.603 -2.719 11.246 1.00 0.00 C ATOM 883 CG ASN A 79 11.309 -3.045 12.697 1.00 0.00 C ATOM 884 OD1 ASN A 79 10.193 -3.428 13.046 1.00 0.00 O ATOM 885 ND2 ASN A 79 12.315 -2.894 13.552 1.00 0.00 N ATOM 0 H ASN A 79 11.045 -4.409 8.620 1.00 0.00 H new ATOM 0 HA ASN A 79 10.192 -4.232 10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.572 -3.136 10.972 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.676 -1.638 11.127 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.178 -3.098 14.542 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.224 -2.574 13.218 1.00 0.00 H new ATOM 892 N LYS A 80 8.576 -2.369 9.176 1.00 0.00 N ATOM 893 CA LYS A 80 7.404 -1.517 9.019 1.00 0.00 C ATOM 894 C LYS A 80 6.199 -2.329 8.554 1.00 0.00 C ATOM 895 O LYS A 80 6.238 -3.011 7.529 1.00 0.00 O ATOM 896 CB LYS A 80 7.693 -0.396 8.018 1.00 0.00 C ATOM 897 CG LYS A 80 8.545 0.725 8.589 1.00 0.00 C ATOM 898 CD LYS A 80 7.779 1.541 9.616 1.00 0.00 C ATOM 899 CE LYS A 80 8.705 2.113 10.678 1.00 0.00 C ATOM 900 NZ LYS A 80 8.029 3.152 11.502 1.00 0.00 N ATOM 0 H LYS A 80 8.750 -2.995 8.390 1.00 0.00 H new ATOM 0 HA LYS A 80 7.172 -1.079 9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.198 -0.818 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.748 0.019 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.439 0.305 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.879 1.376 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.251 2.353 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.024 0.914 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.057 1.309 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.584 2.544 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.298 3.033 12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.318 4.096 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.998 3.053 11.408 1.00 0.00 H new ATOM 914 N PRO A 81 5.102 -2.256 9.323 1.00 0.00 N ATOM 915 CA PRO A 81 3.866 -2.977 9.008 1.00 0.00 C ATOM 916 C PRO A 81 3.161 -2.411 7.780 1.00 0.00 C ATOM 917 O PRO A 81 2.150 -2.949 7.329 1.00 0.00 O ATOM 918 CB PRO A 81 3.007 -2.771 10.259 1.00 0.00 C ATOM 919 CG PRO A 81 3.513 -1.507 10.862 1.00 0.00 C ATOM 920 CD PRO A 81 4.985 -1.464 10.558 1.00 0.00 C ATOM 0 HA PRO A 81 4.054 -4.024 8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.950 -2.693 10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.108 -3.608 10.950 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.002 -0.641 10.440 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.336 -1.489 11.937 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.336 -0.442 10.415 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.575 -1.893 11.368 1.00 0.00 H new ATOM 928 N TYR A 82 3.702 -1.324 7.243 1.00 0.00 N ATOM 929 CA TYR A 82 3.124 -0.684 6.066 1.00 0.00 C ATOM 930 C TYR A 82 4.162 -0.547 4.955 1.00 0.00 C ATOM 931 O TYR A 82 5.365 -0.585 5.206 1.00 0.00 O ATOM 932 CB TYR A 82 2.567 0.693 6.431 1.00 0.00 C ATOM 933 CG TYR A 82 3.617 1.658 6.934 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.511 2.261 6.057 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.716 1.966 8.285 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.473 3.142 6.511 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.673 2.848 8.748 1.00 0.00 C ATOM 938 CZ TYR A 82 5.549 3.432 7.858 1.00 0.00 C ATOM 939 OH TYR A 82 6.505 4.310 8.316 1.00 0.00 O ATOM 0 H TYR A 82 4.540 -0.867 7.603 1.00 0.00 H new ATOM 0 HA TYR A 82 2.311 -1.313 5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.081 1.123 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.799 0.574 7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.452 2.037 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.033 1.508 8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.161 3.601 5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.735 3.079 9.801 1.00 0.00 H new ATOM 0 HH TYR A 82 6.497 4.321 9.296 1.00 0.00 H new ATOM 949 N SER A 83 3.684 -0.386 3.725 1.00 0.00 N ATOM 950 CA SER A 83 4.568 -0.246 2.575 1.00 0.00 C ATOM 951 C SER A 83 4.026 0.792 1.596 1.00 0.00 C ATOM 952 O SER A 83 2.951 1.356 1.804 1.00 0.00 O ATOM 953 CB SER A 83 4.735 -1.592 1.867 1.00 0.00 C ATOM 954 OG SER A 83 5.443 -2.512 2.680 1.00 0.00 O ATOM 0 H SER A 83 2.690 -0.349 3.500 1.00 0.00 H new ATOM 0 HA SER A 83 5.540 0.091 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.755 -2.000 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.267 -1.448 0.927 1.00 0.00 H new ATOM 0 HG SER A 83 6.331 -2.671 2.297 1.00 0.00 H new ATOM 960 N PHE A 84 4.777 1.038 0.528 1.00 0.00 N ATOM 961 CA PHE A 84 4.375 2.008 -0.483 1.00 0.00 C ATOM 962 C PHE A 84 4.589 1.451 -1.887 1.00 0.00 C ATOM 963 O PHE A 84 5.699 1.066 -2.251 1.00 0.00 O ATOM 964 CB PHE A 84 5.161 3.310 -0.312 1.00 0.00 C ATOM 965 CG PHE A 84 5.061 3.895 1.067 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.906 4.540 1.479 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.123 3.799 1.953 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.810 5.079 2.748 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.033 4.335 3.224 1.00 0.00 C ATOM 970 CZ PHE A 84 4.876 4.977 3.622 1.00 0.00 C ATOM 0 H PHE A 84 5.668 0.578 0.340 1.00 0.00 H new ATOM 0 HA PHE A 84 3.313 2.214 -0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.210 3.125 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.799 4.041 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.070 4.623 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.031 3.300 1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.904 5.579 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.867 4.252 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.805 5.398 4.614 1.00 0.00 H new ATOM 980 N ALA A 85 3.517 1.412 -2.672 1.00 0.00 N ATOM 981 CA ALA A 85 3.587 0.905 -4.035 1.00 0.00 C ATOM 982 C ALA A 85 3.415 2.030 -5.050 1.00 0.00 C ATOM 983 O ALA A 85 2.620 2.947 -4.845 1.00 0.00 O ATOM 984 CB ALA A 85 2.532 -0.170 -4.253 1.00 0.00 C ATOM 0 H ALA A 85 2.590 1.726 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 85 4.574 0.466 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.596 -0.540 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.702 -0.993 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.542 0.252 -4.081 1.00 0.00 H new ATOM 990 N ARG A 86 4.168 1.954 -6.143 1.00 0.00 N ATOM 991 CA ARG A 86 4.100 2.969 -7.189 1.00 0.00 C ATOM 992 C ARG A 86 3.640 2.359 -8.509 1.00 0.00 C ATOM 993 O ARG A 86 4.336 1.531 -9.099 1.00 0.00 O ATOM 994 CB ARG A 86 5.465 3.635 -7.370 1.00 0.00 C ATOM 995 CG ARG A 86 5.379 5.080 -7.836 1.00 0.00 C ATOM 996 CD ARG A 86 6.679 5.827 -7.577 1.00 0.00 C ATOM 997 NE ARG A 86 7.777 5.313 -8.390 1.00 0.00 N ATOM 998 CZ ARG A 86 9.007 5.816 -8.367 1.00 0.00 C ATOM 999 NH1 ARG A 86 9.292 6.840 -7.576 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.953 5.294 -9.137 1.00 0.00 N ATOM 0 H ARG A 86 4.831 1.201 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 86 3.373 3.722 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.006 3.598 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.046 3.063 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.148 5.107 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.561 5.582 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.536 6.887 -7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.940 5.745 -6.522 1.00 0.00 H new ATOM 0 HE ARG A 86 7.590 4.525 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.567 7.244 -6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.237 7.225 -7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.737 4.506 -9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.897 5.681 -9.119 1.00 0.00 H new ATOM 1014 N TYR A 87 2.463 2.772 -8.967 1.00 0.00 N ATOM 1015 CA TYR A 87 1.908 2.264 -10.216 1.00 0.00 C ATOM 1016 C TYR A 87 2.368 3.109 -11.400 1.00 0.00 C ATOM 1017 O TYR A 87 2.701 4.284 -11.245 1.00 0.00 O ATOM 1018 CB TYR A 87 0.380 2.246 -10.150 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.179 1.063 -9.393 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.462 -0.132 -10.043 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.424 1.140 -8.027 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.975 -1.215 -9.355 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -0.934 0.062 -7.332 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.209 -1.114 -7.999 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.717 -2.191 -7.311 1.00 0.00 O ATOM 0 H TYR A 87 1.875 3.457 -8.492 1.00 0.00 H new ATOM 0 HA TYR A 87 2.270 1.246 -10.357 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.034 3.165 -9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.019 2.239 -11.164 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.278 -0.216 -11.104 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.212 2.059 -7.501 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.192 -2.136 -9.876 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.117 0.139 -6.270 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.631 -2.999 -7.859 1.00 0.00 H new ATOM 1035 N ARG A 88 2.382 2.502 -12.582 1.00 0.00 N ATOM 1036 CA ARG A 88 2.801 3.198 -13.793 1.00 0.00 C ATOM 1037 C ARG A 88 1.776 4.256 -14.193 1.00 0.00 C ATOM 1038 O ARG A 88 2.133 5.329 -14.682 1.00 0.00 O ATOM 1039 CB ARG A 88 2.994 2.202 -14.938 1.00 0.00 C ATOM 1040 CG ARG A 88 3.294 2.861 -16.275 1.00 0.00 C ATOM 1041 CD ARG A 88 4.775 3.176 -16.420 1.00 0.00 C ATOM 1042 NE ARG A 88 5.014 4.256 -17.373 1.00 0.00 N ATOM 1043 CZ ARG A 88 5.004 4.091 -18.690 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.769 2.894 -19.209 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.229 5.123 -19.492 1.00 0.00 N ATOM 0 H ARG A 88 2.108 1.530 -12.727 1.00 0.00 H new ATOM 0 HA ARG A 88 3.750 3.694 -13.588 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.810 1.525 -14.685 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.094 1.595 -15.036 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.980 2.203 -17.085 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.715 3.780 -16.367 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.183 3.453 -15.448 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.306 2.281 -16.745 1.00 0.00 H new ATOM 0 HE ARG A 88 5.199 5.190 -17.006 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.595 2.097 -18.596 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.762 2.770 -20.221 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.410 6.046 -19.097 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.221 4.994 -20.504 1.00 0.00 H new ATOM 1059 N THR A 89 0.500 3.947 -13.985 1.00 0.00 N ATOM 1060 CA THR A 89 -0.575 4.869 -14.326 1.00 0.00 C ATOM 1061 C THR A 89 -1.625 4.921 -13.221 1.00 0.00 C ATOM 1062 O THR A 89 -2.080 3.887 -12.731 1.00 0.00 O ATOM 1063 CB THR A 89 -1.258 4.472 -15.648 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.722 3.120 -15.574 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.299 4.620 -16.818 1.00 0.00 C ATOM 0 H THR A 89 0.186 3.064 -13.582 1.00 0.00 H new ATOM 0 HA THR A 89 -0.122 5.854 -14.441 1.00 0.00 H new ATOM 0 HB THR A 89 -2.106 5.138 -15.807 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.156 2.877 -16.418 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.804 4.334 -17.741 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.029 5.657 -16.890 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.566 3.975 -16.663 1.00 0.00 H new ATOM 1073 N THR A 90 -2.008 6.134 -12.832 1.00 0.00 N ATOM 1074 CA THR A 90 -3.004 6.321 -11.785 1.00 0.00 C ATOM 1075 C THR A 90 -4.116 5.284 -11.892 1.00 0.00 C ATOM 1076 O THR A 90 -4.427 4.591 -10.923 1.00 0.00 O ATOM 1077 CB THR A 90 -3.624 7.730 -11.844 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.627 8.688 -12.219 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.224 8.114 -10.500 1.00 0.00 C ATOM 0 H THR A 90 -1.643 7.001 -13.227 1.00 0.00 H new ATOM 0 HA THR A 90 -2.488 6.199 -10.833 1.00 0.00 H new ATOM 0 HB THR A 90 -4.419 7.723 -12.590 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.029 9.581 -12.256 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.656 9.113 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.002 7.399 -10.231 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.445 8.105 -9.738 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.713 5.183 -13.076 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.792 4.230 -13.308 1.00 0.00 C ATOM 1089 C GLU A 91 -5.571 2.952 -12.504 1.00 0.00 C ATOM 1090 O GLU A 91 -6.432 2.539 -11.729 1.00 0.00 O ATOM 1091 CB GLU A 91 -5.895 3.896 -14.798 1.00 0.00 C ATOM 1092 CG GLU A 91 -5.722 5.103 -15.705 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.417 4.932 -17.042 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -7.621 4.599 -17.045 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -5.758 5.131 -18.083 1.00 0.00 O ATOM 0 H GLU A 91 -4.468 5.749 -13.888 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.725 4.689 -12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.138 3.152 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.866 3.441 -14.994 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.116 5.988 -15.205 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.659 5.278 -15.872 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.411 2.332 -12.695 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.077 1.100 -11.989 1.00 0.00 C ATOM 1104 C GLU A 92 -4.159 1.301 -10.479 1.00 0.00 C ATOM 1105 O GLU A 92 -4.887 0.589 -9.786 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.675 0.627 -12.377 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.535 0.284 -13.850 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.595 -0.690 -14.326 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.133 -1.441 -13.486 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -3.888 -0.700 -15.541 1.00 0.00 O ATOM 0 H GLU A 92 -3.687 2.662 -13.333 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.801 0.338 -12.277 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.955 1.405 -12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.419 -0.250 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.597 1.199 -14.440 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.548 -0.144 -14.027 1.00 0.00 H new ATOM 1117 N SER A 93 -3.407 2.273 -9.975 1.00 0.00 N ATOM 1118 CA SER A 93 -3.389 2.565 -8.547 1.00 0.00 C ATOM 1119 C SER A 93 -4.802 2.542 -7.970 1.00 0.00 C ATOM 1120 O SER A 93 -5.073 1.853 -6.987 1.00 0.00 O ATOM 1121 CB SER A 93 -2.745 3.928 -8.291 1.00 0.00 C ATOM 1122 OG SER A 93 -2.783 4.260 -6.913 1.00 0.00 O ATOM 0 H SER A 93 -2.801 2.873 -10.535 1.00 0.00 H new ATOM 0 HA SER A 93 -2.799 1.794 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.711 3.916 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.265 4.693 -8.867 1.00 0.00 H new ATOM 0 HG SER A 93 -2.581 5.212 -6.800 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.699 3.300 -8.591 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.086 3.368 -8.142 1.00 0.00 C ATOM 1130 C LYS A 94 -7.719 1.981 -8.123 1.00 0.00 C ATOM 1131 O LYS A 94 -8.310 1.573 -7.123 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.892 4.296 -9.054 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.573 5.768 -8.860 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.788 6.558 -10.140 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.263 6.656 -10.494 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.511 7.660 -11.566 1.00 0.00 N ATOM 0 H LYS A 94 -5.491 3.876 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.096 3.766 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.702 4.026 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.955 4.136 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.202 6.176 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.539 5.877 -8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.373 7.559 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.247 6.081 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.624 5.680 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.833 6.926 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.528 7.697 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.190 8.596 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.988 7.389 -12.423 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.590 1.260 -9.232 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.149 -0.082 -9.340 1.00 0.00 C ATOM 1152 C ARG A 95 -7.706 -0.952 -8.168 1.00 0.00 C ATOM 1153 O ARG A 95 -8.497 -1.716 -7.615 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.725 -0.730 -10.659 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.991 -2.225 -10.718 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.164 -2.896 -11.803 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.860 -2.914 -13.087 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.801 -3.799 -13.401 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.157 -4.730 -12.528 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -9.387 -3.750 -14.591 1.00 0.00 N ATOM 0 H ARG A 95 -7.103 1.583 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.236 0.002 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.253 -0.243 -11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.661 -0.553 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.760 -2.675 -9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.050 -2.400 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.215 -2.372 -11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.931 -3.917 -11.502 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.610 -2.209 -13.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.709 -4.769 -11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.879 -5.408 -12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.115 -3.033 -15.264 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.109 -4.429 -14.832 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.436 -0.832 -7.795 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.888 -1.606 -6.689 1.00 0.00 C ATOM 1176 C ALA A 96 -6.349 -1.049 -5.347 1.00 0.00 C ATOM 1177 O ALA A 96 -6.534 -1.794 -4.384 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.368 -1.626 -6.760 1.00 0.00 C ATOM 0 H ALA A 96 -5.767 -0.206 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.258 -2.628 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.972 -2.208 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.054 -2.078 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.988 -0.606 -6.703 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.533 0.267 -5.289 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.969 0.924 -4.064 1.00 0.00 C ATOM 1186 C TYR A 97 -8.390 0.505 -3.696 1.00 0.00 C ATOM 1187 O TYR A 97 -8.713 0.327 -2.523 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.899 2.444 -4.223 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.723 3.198 -3.204 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.218 3.475 -1.940 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -9.007 3.634 -3.507 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.968 4.163 -1.007 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.764 4.324 -2.581 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.241 4.586 -1.331 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.991 5.273 -0.404 1.00 0.00 O ATOM 0 H TYR A 97 -6.387 0.898 -6.077 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.300 0.618 -3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.859 2.762 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.239 2.712 -5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.222 3.147 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.420 3.430 -4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.560 4.369 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.760 4.657 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.862 5.499 -0.791 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.234 0.349 -4.712 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.620 -0.050 -4.498 1.00 0.00 C ATOM 1207 C VAL A 98 -10.764 -1.568 -4.522 1.00 0.00 C ATOM 1208 O VAL A 98 -11.755 -2.117 -4.041 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.550 0.560 -5.563 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.008 0.396 -5.155 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.212 2.025 -5.787 1.00 0.00 C ATOM 0 H VAL A 98 -8.982 0.493 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.910 0.324 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.398 0.028 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.651 0.833 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.239 -0.664 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.179 0.902 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.879 2.441 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.335 2.574 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.180 2.113 -6.126 1.00 0.00 H new ATOM 1221 N THR A 99 -9.767 -2.243 -5.087 1.00 0.00 N ATOM 1222 CA THR A 99 -9.782 -3.698 -5.175 1.00 0.00 C ATOM 1223 C THR A 99 -8.977 -4.326 -4.043 1.00 0.00 C ATOM 1224 O THR A 99 -9.521 -5.042 -3.202 1.00 0.00 O ATOM 1225 CB THR A 99 -9.218 -4.184 -6.523 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.078 -3.774 -7.591 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.076 -5.699 -6.534 1.00 0.00 C ATOM 0 H THR A 99 -8.939 -1.805 -5.490 1.00 0.00 H new ATOM 0 HA THR A 99 -10.823 -4.009 -5.092 1.00 0.00 H new ATOM 0 HB THR A 99 -8.232 -3.740 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.811 -2.884 -7.902 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.676 -6.020 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.398 -6.007 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.052 -6.157 -6.376 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.677 -4.053 -4.026 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.795 -4.591 -2.996 1.00 0.00 C ATOM 1237 C LEU A 100 -7.292 -4.214 -1.604 1.00 0.00 C ATOM 1238 O LEU A 100 -7.405 -5.067 -0.723 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.369 -4.076 -3.197 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.793 -4.228 -4.606 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.326 -3.832 -4.627 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -4.970 -5.656 -5.102 1.00 0.00 C ATOM 0 H LEU A 100 -7.210 -3.462 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.797 -5.678 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.344 -3.020 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.714 -4.598 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.337 -3.562 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.933 -3.946 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.225 -2.793 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.766 -4.472 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.555 -5.747 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.451 -6.341 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.031 -5.904 -5.124 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.588 -2.934 -1.413 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.075 -2.445 -0.128 1.00 0.00 C ATOM 1256 C ASN A 101 -9.270 -3.265 0.349 1.00 0.00 C ATOM 1257 O ASN A 101 -10.283 -3.365 -0.342 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.465 -0.969 -0.234 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.690 -0.331 1.123 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.087 -1.000 2.077 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.436 0.969 1.215 1.00 0.00 N ATOM 0 H ASN A 101 -7.499 -2.215 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.271 -2.550 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.681 -0.426 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.373 -0.878 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.568 1.453 2.103 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.108 1.484 0.398 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.144 -3.849 1.537 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.222 -4.653 2.086 1.00 0.00 C ATOM 1270 C GLY A 102 -10.194 -6.081 1.581 1.00 0.00 C ATOM 1271 O GLY A 102 -11.055 -6.889 1.932 1.00 0.00 O ATOM 0 H GLY A 102 -8.316 -3.780 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.153 -4.654 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.178 -4.198 1.828 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.204 -6.397 0.754 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.067 -7.737 0.199 1.00 0.00 C ATOM 1277 C LYS A 103 -8.342 -8.659 1.175 1.00 0.00 C ATOM 1278 O LYS A 103 -7.511 -8.211 1.964 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.310 -7.687 -1.130 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.294 -9.013 -1.871 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.694 -8.868 -3.260 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.112 -10.183 -3.756 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.021 -10.223 -5.242 1.00 0.00 N ATOM 0 H LYS A 103 -8.483 -5.741 0.453 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.067 -8.135 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.764 -6.929 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.283 -7.373 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.720 -9.743 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.310 -9.399 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.460 -8.523 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.914 -8.107 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.120 -10.326 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.732 -11.009 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.620 -11.135 -5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.971 -10.112 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.409 -9.450 -5.573 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.663 -9.948 1.114 1.00 0.00 N ATOM 1298 CA GLU A 104 -8.040 -10.931 1.993 1.00 0.00 C ATOM 1299 C GLU A 104 -6.833 -11.578 1.318 1.00 0.00 C ATOM 1300 O GLU A 104 -6.918 -12.040 0.179 1.00 0.00 O ATOM 1301 CB GLU A 104 -9.054 -12.006 2.390 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.832 -11.673 3.651 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.865 -12.729 3.995 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.494 -13.272 3.063 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.045 -13.011 5.199 1.00 0.00 O ATOM 0 H GLU A 104 -9.349 -10.335 0.466 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.698 -10.414 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.755 -12.153 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.531 -12.951 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.137 -11.565 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.329 -10.711 3.523 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.711 -11.607 2.028 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.486 -12.197 1.499 1.00 0.00 C ATOM 1314 C VAL A 105 -3.782 -13.040 2.555 1.00 0.00 C ATOM 1315 O VAL A 105 -3.627 -12.617 3.702 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.517 -11.115 0.990 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -4.084 -10.424 -0.241 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.222 -10.104 2.088 1.00 0.00 C ATOM 0 H VAL A 105 -5.624 -11.229 2.971 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.776 -12.835 0.664 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.581 -11.597 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.384 -9.663 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.239 -11.158 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.035 -9.955 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.535 -9.347 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.150 -9.627 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.769 -10.613 2.939 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.355 -14.236 2.163 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.665 -15.139 3.076 1.00 0.00 C ATOM 1330 C VAL A 106 -1.214 -14.712 3.278 1.00 0.00 C ATOM 1331 O VAL A 106 -0.454 -14.586 2.318 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.694 -16.589 2.560 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.860 -17.492 3.456 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.126 -17.093 2.467 1.00 0.00 C ATOM 0 H VAL A 106 -3.475 -14.602 1.219 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.192 -15.090 4.029 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.260 -16.609 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.893 -18.513 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.828 -17.141 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.261 -17.470 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.127 -18.120 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.588 -17.059 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.690 -16.462 1.780 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.838 -14.492 4.533 1.00 0.00 N ATOM 1345 CA ASP A 107 0.522 -14.081 4.862 1.00 0.00 C ATOM 1346 C ASP A 107 1.420 -15.296 5.073 1.00 0.00 C ATOM 1347 O ASP A 107 0.999 -16.434 4.871 1.00 0.00 O ATOM 1348 CB ASP A 107 0.523 -13.206 6.117 1.00 0.00 C ATOM 1349 CG ASP A 107 0.292 -14.008 7.382 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.846 -14.482 7.584 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.248 -14.160 8.171 1.00 0.00 O ATOM 0 H ASP A 107 -1.455 -14.591 5.339 1.00 0.00 H new ATOM 0 HA ASP A 107 0.914 -13.503 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.476 -12.683 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.252 -12.445 6.026 1.00 0.00 H new ATOM 1356 N ASP A 108 2.660 -15.045 5.481 1.00 0.00 N ATOM 1357 CA ASP A 108 3.618 -16.117 5.719 1.00 0.00 C ATOM 1358 C ASP A 108 3.044 -17.154 6.679 1.00 0.00 C ATOM 1359 O ASP A 108 3.179 -18.360 6.460 1.00 0.00 O ATOM 1360 CB ASP A 108 4.922 -15.550 6.282 1.00 0.00 C ATOM 1361 CG ASP A 108 5.971 -16.621 6.506 1.00 0.00 C ATOM 1362 OD1 ASP A 108 5.588 -17.785 6.744 1.00 0.00 O ATOM 1363 OD2 ASP A 108 7.175 -16.294 6.446 1.00 0.00 O ATOM 0 H ASP A 108 3.024 -14.108 5.654 1.00 0.00 H new ATOM 0 HA ASP A 108 3.825 -16.604 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.314 -14.799 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.717 -15.044 7.225 1.00 0.00 H new ATOM 1368 N LEU A 109 2.406 -16.681 7.742 1.00 0.00 N ATOM 1369 CA LEU A 109 1.812 -17.567 8.737 1.00 0.00 C ATOM 1370 C LEU A 109 0.722 -18.433 8.114 1.00 0.00 C ATOM 1371 O LEU A 109 0.471 -19.550 8.562 1.00 0.00 O ATOM 1372 CB LEU A 109 1.232 -16.752 9.894 1.00 0.00 C ATOM 1373 CG LEU A 109 2.164 -15.710 10.514 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.410 -14.849 11.516 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.354 -16.387 11.179 1.00 0.00 C ATOM 0 H LEU A 109 2.286 -15.687 7.938 1.00 0.00 H new ATOM 0 HA LEU A 109 2.596 -18.221 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.335 -16.243 9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.919 -17.442 10.677 1.00 0.00 H new ATOM 0 HG LEU A 109 2.537 -15.065 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.089 -14.113 11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.592 -14.336 11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.008 -15.480 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.006 -15.630 11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.000 -17.056 11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.909 -16.960 10.436 1.00 0.00 H new ATOM 1387 N GLY A 110 0.080 -17.909 7.074 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.975 -18.648 6.404 1.00 0.00 C ATOM 1389 C GLY A 110 -2.356 -18.130 6.751 1.00 0.00 C ATOM 1390 O GLY A 110 -3.363 -18.726 6.367 1.00 0.00 O ATOM 0 H GLY A 110 0.271 -16.986 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.828 -18.588 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.906 -19.701 6.677 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.404 -17.020 7.480 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.674 -16.425 7.882 1.00 0.00 C ATOM 1396 C GLN A 111 -4.120 -15.367 6.878 1.00 0.00 C ATOM 1397 O GLN A 111 -3.295 -14.734 6.219 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.554 -15.805 9.275 1.00 0.00 C ATOM 1399 CG GLN A 111 -3.147 -16.800 10.349 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.609 -16.386 11.733 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.615 -16.884 12.239 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.874 -15.469 12.352 1.00 0.00 N ATOM 0 H GLN A 111 -1.580 -16.515 7.804 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.424 -17.215 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.822 -14.998 9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.510 -15.358 9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.563 -17.779 10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -2.062 -16.906 10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -2.048 -15.084 11.894 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -3.136 -15.150 13.285 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.430 -15.180 6.766 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.988 -14.198 5.843 1.00 0.00 C ATOM 1413 C LYS A 112 -6.088 -12.827 6.504 1.00 0.00 C ATOM 1414 O LYS A 112 -6.925 -12.611 7.381 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.370 -14.646 5.362 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.335 -15.885 4.483 1.00 0.00 C ATOM 1417 CD LYS A 112 -6.993 -15.539 3.044 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.249 -16.714 2.113 1.00 0.00 C ATOM 1419 NZ LYS A 112 -6.907 -16.387 0.701 1.00 0.00 N ATOM 0 H LYS A 112 -6.127 -15.696 7.303 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.320 -14.121 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -8.001 -14.843 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.835 -13.830 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.600 -16.588 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.303 -16.384 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.587 -14.683 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.946 -15.243 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.661 -17.571 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.298 -17.005 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.758 -16.471 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.543 -15.414 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.180 -17.047 0.358 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.232 -11.905 6.076 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.227 -10.554 6.625 1.00 0.00 C ATOM 1435 C ILE A 113 -5.876 -9.567 5.662 1.00 0.00 C ATOM 1436 O ILE A 113 -5.807 -9.733 4.443 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.797 -10.081 6.941 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -3.011 -11.191 7.642 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.833 -8.826 7.802 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.612 -10.781 8.044 1.00 0.00 C ATOM 0 H ILE A 113 -4.533 -12.069 5.351 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.803 -10.587 7.550 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.294 -9.842 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.558 -11.506 8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.951 -12.056 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.814 -8.503 8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.360 -8.034 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.351 -9.041 8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.115 -11.617 8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.048 -10.494 7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.664 -9.936 8.730 1.00 0.00 H new ATOM 1452 N THR A 114 -6.507 -8.536 6.215 1.00 0.00 N ATOM 1453 CA THR A 114 -7.169 -7.520 5.405 1.00 0.00 C ATOM 1454 C THR A 114 -6.331 -6.249 5.326 1.00 0.00 C ATOM 1455 O THR A 114 -6.341 -5.429 6.245 1.00 0.00 O ATOM 1456 CB THR A 114 -8.559 -7.171 5.968 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.266 -8.370 6.305 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.366 -6.369 4.958 1.00 0.00 C ATOM 0 H THR A 114 -6.574 -8.382 7.221 1.00 0.00 H new ATOM 0 HA THR A 114 -7.285 -7.938 4.405 1.00 0.00 H new ATOM 0 HB THR A 114 -8.422 -6.566 6.864 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.148 -8.140 6.664 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.344 -6.134 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.840 -5.444 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.493 -6.954 4.047 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.607 -6.091 4.224 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.763 -4.918 4.024 1.00 0.00 C ATOM 1468 C LEU A 115 -5.574 -3.752 3.468 1.00 0.00 C ATOM 1469 O LEU A 115 -6.457 -3.940 2.630 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.610 -5.250 3.076 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.929 -6.601 3.294 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.817 -6.809 2.277 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.383 -6.700 4.711 1.00 0.00 C ATOM 0 H LEU A 115 -5.587 -6.761 3.455 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.356 -4.625 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.986 -5.216 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.856 -4.467 3.165 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.671 -7.387 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.344 -7.776 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.235 -6.782 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.075 -6.018 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.902 -7.668 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.655 -5.906 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.201 -6.597 5.424 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.269 -2.547 3.938 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.971 -1.351 3.490 1.00 0.00 C ATOM 1487 C TYR A 116 -5.033 -0.429 2.716 1.00 0.00 C ATOM 1488 O TYR A 116 -4.027 0.042 3.248 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.567 -0.604 4.683 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.866 -1.197 5.181 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.872 -2.330 5.986 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.087 -0.624 4.846 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -9.058 -2.874 6.441 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.276 -1.161 5.299 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.257 -2.287 6.096 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.438 -2.826 6.548 1.00 0.00 O ATOM 0 H TYR A 116 -4.540 -2.373 4.630 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.778 -1.662 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.843 -0.601 5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.736 0.436 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.935 -2.792 6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.106 0.256 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -9.046 -3.756 7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.216 -0.702 5.031 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.190 -2.292 6.216 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.371 -0.175 1.456 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.561 0.692 0.607 1.00 0.00 C ATOM 1508 C LEU A 117 -5.108 2.115 0.603 1.00 0.00 C ATOM 1509 O LEU A 117 -6.297 2.334 0.374 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.520 0.145 -0.822 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.557 -1.016 -1.068 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.108 -2.303 -0.474 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.294 -1.184 -2.558 1.00 0.00 C ATOM 0 H LEU A 117 -6.200 -0.557 1.000 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.549 0.713 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.525 -0.178 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.254 0.960 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.612 -0.789 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.408 -3.118 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.244 -2.179 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.067 -2.536 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.606 -2.015 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.233 -1.388 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.854 -0.269 -2.955 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.230 3.081 0.857 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.625 4.485 0.881 1.00 0.00 C ATOM 1527 C ASN A 118 -3.829 5.292 -0.141 1.00 0.00 C ATOM 1528 O ASN A 118 -2.676 4.975 -0.435 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.421 5.070 2.280 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.640 4.893 3.164 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.774 4.904 2.685 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.411 4.729 4.461 1.00 0.00 N ATOM 0 H ASN A 118 -3.242 2.917 1.049 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.682 4.544 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.562 4.590 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.187 6.131 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.192 4.605 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.454 4.727 4.814 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.451 6.335 -0.678 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.802 7.188 -1.667 1.00 0.00 C ATOM 1541 C PHE A 119 -2.790 8.117 -1.003 1.00 0.00 C ATOM 1542 O PHE A 119 -3.156 8.990 -0.216 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.845 8.009 -2.427 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.678 7.193 -3.374 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.079 6.434 -4.367 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.059 7.184 -3.271 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.843 5.682 -5.239 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.828 6.433 -4.139 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.219 5.682 -5.126 1.00 0.00 C ATOM 0 H PHE A 119 -5.405 6.611 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.272 6.547 -2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.502 8.500 -1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.339 8.796 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.003 6.430 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.541 7.771 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.364 5.095 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.904 6.433 -4.046 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.818 5.096 -5.808 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.516 7.923 -1.326 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.451 8.743 -0.762 1.00 0.00 C ATOM 1561 C VAL A 120 0.269 9.533 -1.850 1.00 0.00 C ATOM 1562 O VAL A 120 0.545 9.010 -2.930 1.00 0.00 O ATOM 1563 CB VAL A 120 0.577 7.885 -0.002 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.004 7.399 1.317 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.029 6.711 -0.858 1.00 0.00 C ATOM 0 H VAL A 120 -1.196 7.205 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.922 9.435 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 120 1.448 8.503 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.737 6.794 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.274 8.256 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.892 6.798 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.755 6.116 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.168 6.091 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.488 7.084 -1.774 1.00 0.00 H new ATOM 1575 N GLU A 121 0.571 10.794 -1.557 1.00 0.00 N ATOM 1576 CA GLU A 121 1.259 11.655 -2.512 1.00 0.00 C ATOM 1577 C GLU A 121 2.729 11.819 -2.135 1.00 0.00 C ATOM 1578 O GLU A 121 3.600 11.893 -3.002 1.00 0.00 O ATOM 1579 CB GLU A 121 0.582 13.026 -2.576 1.00 0.00 C ATOM 1580 CG GLU A 121 0.595 13.775 -1.255 1.00 0.00 C ATOM 1581 CD GLU A 121 0.333 15.258 -1.422 1.00 0.00 C ATOM 1582 OE1 GLU A 121 -0.817 15.624 -1.746 1.00 0.00 O ATOM 1583 OE2 GLU A 121 1.275 16.054 -1.230 1.00 0.00 O ATOM 0 H GLU A 121 0.350 11.242 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 121 1.203 11.184 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.080 13.632 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.451 12.897 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.159 13.349 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.561 13.633 -0.771 1.00 0.00 H new ATOM 1590 N LYS A 122 2.997 11.878 -0.835 1.00 0.00 N ATOM 1591 CA LYS A 122 4.360 12.033 -0.341 1.00 0.00 C ATOM 1592 C LYS A 122 4.864 10.735 0.283 1.00 0.00 C ATOM 1593 O LYS A 122 4.309 10.255 1.272 1.00 0.00 O ATOM 1594 CB LYS A 122 4.426 13.165 0.687 1.00 0.00 C ATOM 1595 CG LYS A 122 4.408 14.552 0.067 1.00 0.00 C ATOM 1596 CD LYS A 122 5.731 14.878 -0.605 1.00 0.00 C ATOM 1597 CE LYS A 122 5.705 16.258 -1.246 1.00 0.00 C ATOM 1598 NZ LYS A 122 5.611 17.341 -0.228 1.00 0.00 N ATOM 0 H LYS A 122 2.288 11.821 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 122 5.001 12.281 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.584 13.072 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.334 13.053 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.602 14.615 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.198 15.294 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.535 14.832 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.950 14.127 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.606 16.398 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.857 16.326 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.749 18.263 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.673 17.315 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.345 17.202 0.495 1.00 0.00 H new ATOM 1612 N VAL A 123 5.918 10.174 -0.299 1.00 0.00 N ATOM 1613 CA VAL A 123 6.498 8.934 0.202 1.00 0.00 C ATOM 1614 C VAL A 123 8.021 8.979 0.151 1.00 0.00 C ATOM 1615 O VAL A 123 8.606 9.381 -0.854 1.00 0.00 O ATOM 1616 CB VAL A 123 6.004 7.717 -0.604 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.673 6.444 -0.112 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.489 7.602 -0.519 1.00 0.00 C ATOM 0 H VAL A 123 6.388 10.559 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 123 6.175 8.830 1.238 1.00 0.00 H new ATOM 0 HB VAL A 123 6.276 7.860 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.312 5.595 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.753 6.531 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.435 6.291 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.157 6.737 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.191 7.482 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.032 8.505 -0.925 1.00 0.00 H new ATOM 1628 N GLN A 124 8.657 8.564 1.241 1.00 0.00 N ATOM 1629 CA GLN A 124 10.113 8.558 1.321 1.00 0.00 C ATOM 1630 C GLN A 124 10.701 7.462 0.438 1.00 0.00 C ATOM 1631 O GLN A 124 11.221 6.463 0.936 1.00 0.00 O ATOM 1632 CB GLN A 124 10.565 8.361 2.768 1.00 0.00 C ATOM 1633 CG GLN A 124 10.020 9.410 3.724 1.00 0.00 C ATOM 1634 CD GLN A 124 10.471 9.187 5.154 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.732 8.056 5.565 1.00 0.00 O ATOM 1636 NE2 GLN A 124 10.564 10.267 5.921 1.00 0.00 N ATOM 0 H GLN A 124 8.187 8.227 2.081 1.00 0.00 H new ATOM 0 HA GLN A 124 10.476 9.522 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.250 7.374 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.654 8.378 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 124 10.342 10.398 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.931 9.401 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.338 11.185 5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.862 10.178 6.893 1.00 0.00 H new ATOM 1645 N TRP A 125 10.615 7.655 -0.873 1.00 0.00 N ATOM 1646 CA TRP A 125 11.138 6.681 -1.825 1.00 0.00 C ATOM 1647 C TRP A 125 12.656 6.584 -1.724 1.00 0.00 C ATOM 1648 O TRP A 125 13.297 7.398 -1.059 1.00 0.00 O ATOM 1649 CB TRP A 125 10.733 7.063 -3.250 1.00 0.00 C ATOM 1650 CG TRP A 125 9.254 7.004 -3.482 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.391 8.061 -3.547 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.463 5.826 -3.680 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.113 7.612 -3.772 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.130 6.245 -3.859 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.752 4.460 -3.725 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.090 5.344 -4.077 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.719 3.568 -3.942 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.403 4.013 -4.117 1.00 0.00 C ATOM 0 H TRP A 125 10.188 8.477 -1.301 1.00 0.00 H new ATOM 0 HA TRP A 125 10.713 5.707 -1.582 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.087 8.072 -3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.231 6.395 -3.953 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.673 9.098 -3.437 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.285 8.201 -3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.764 4.107 -3.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.074 5.684 -4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.930 2.509 -3.977 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.619 3.290 -4.287 1.00 0.00 H new ATOM 1669 N SER A 126 13.226 5.583 -2.388 1.00 0.00 N ATOM 1670 CA SER A 126 14.670 5.378 -2.369 1.00 0.00 C ATOM 1671 C SER A 126 15.139 4.700 -3.652 1.00 0.00 C ATOM 1672 O SER A 126 14.427 3.881 -4.232 1.00 0.00 O ATOM 1673 CB SER A 126 15.070 4.533 -1.158 1.00 0.00 C ATOM 1674 OG SER A 126 16.472 4.333 -1.116 1.00 0.00 O ATOM 0 H SER A 126 12.710 4.902 -2.945 1.00 0.00 H new ATOM 0 HA SER A 126 15.150 6.354 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.742 5.026 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.563 3.569 -1.200 1.00 0.00 H new ATOM 0 HG SER A 126 16.702 3.792 -0.332 1.00 0.00 H new ATOM 1680 N GLY A 127 16.344 5.050 -4.094 1.00 0.00 N ATOM 1681 CA GLY A 127 16.888 4.468 -5.306 1.00 0.00 C ATOM 1682 C GLY A 127 18.263 5.009 -5.643 1.00 0.00 C ATOM 1683 O GLY A 127 18.573 6.174 -5.390 1.00 0.00 O ATOM 0 H GLY A 127 16.953 5.727 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 127 16.945 3.386 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.210 4.665 -6.136 1.00 0.00 H new ATOM 1687 N PRO A 128 19.114 4.152 -6.226 1.00 0.00 N ATOM 1688 CA PRO A 128 20.478 4.530 -6.609 1.00 0.00 C ATOM 1689 C PRO A 128 20.502 5.504 -7.782 1.00 0.00 C ATOM 1690 O PRO A 128 21.277 6.461 -7.790 1.00 0.00 O ATOM 1691 CB PRO A 128 21.116 3.196 -7.009 1.00 0.00 C ATOM 1692 CG PRO A 128 19.970 2.337 -7.420 1.00 0.00 C ATOM 1693 CD PRO A 128 18.811 2.750 -6.556 1.00 0.00 C ATOM 0 HA PRO A 128 21.000 5.044 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 128 21.826 3.326 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 128 21.664 2.754 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 128 19.738 2.475 -8.476 1.00 0.00 H new ATOM 0 HG3 PRO A 128 20.204 1.282 -7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 128 17.863 2.658 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 128 18.738 2.133 -5.660 1.00 0.00 H new ATOM 1701 N SER A 129 19.649 5.254 -8.770 1.00 0.00 N ATOM 1702 CA SER A 129 19.576 6.109 -9.950 1.00 0.00 C ATOM 1703 C SER A 129 18.880 7.426 -9.624 1.00 0.00 C ATOM 1704 O SER A 129 18.205 7.549 -8.601 1.00 0.00 O ATOM 1705 CB SER A 129 18.832 5.392 -11.079 1.00 0.00 C ATOM 1706 OG SER A 129 19.410 4.126 -11.346 1.00 0.00 O ATOM 0 H SER A 129 18.999 4.468 -8.777 1.00 0.00 H new ATOM 0 HA SER A 129 20.594 6.327 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 129 17.784 5.267 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 129 18.856 6.004 -11.981 1.00 0.00 H new ATOM 0 HG SER A 129 18.916 3.687 -12.070 1.00 0.00 H new ATOM 1712 N SER A 130 19.050 8.411 -10.500 1.00 0.00 N ATOM 1713 CA SER A 130 18.442 9.721 -10.305 1.00 0.00 C ATOM 1714 C SER A 130 17.776 10.209 -11.589 1.00 0.00 C ATOM 1715 O SER A 130 16.567 10.436 -11.627 1.00 0.00 O ATOM 1716 CB SER A 130 19.495 10.733 -9.848 1.00 0.00 C ATOM 1717 OG SER A 130 18.889 11.935 -9.405 1.00 0.00 O ATOM 0 H SER A 130 19.604 8.326 -11.352 1.00 0.00 H new ATOM 0 HA SER A 130 17.678 9.627 -9.533 1.00 0.00 H new ATOM 0 HB2 SER A 130 20.091 10.304 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 130 20.178 10.948 -10.670 1.00 0.00 H new ATOM 0 HG SER A 130 19.583 12.564 -9.117 1.00 0.00 H new ATOM 1723 N GLY A 131 18.575 10.367 -12.639 1.00 0.00 N ATOM 1724 CA GLY A 131 18.048 10.827 -13.910 1.00 0.00 C ATOM 1725 C GLY A 131 19.059 10.711 -15.034 1.00 0.00 C ATOM 1726 O GLY A 131 20.237 11.020 -14.852 1.00 0.00 O ATOM 0 H GLY A 131 19.579 10.185 -12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 131 17.160 10.247 -14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 131 17.733 11.866 -13.814 1.00 0.00 H new TER 1730 GLY A 131