USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 917 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 45 THR OG1 : rot 138:sc= 0.786 USER MOD Set 1.2: A 47 GLN : amide:sc= 0.699 K(o=1.5,f=-2!) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.0229 X(o=-0.64,f=-0.68) USER MOD Set 2.2: A 41 TYR OH : rot -64:sc= -0.661 USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= -1.16 USER MOD Set 3.2: A 38 CYS SG : rot 19:sc= 0.33 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.126) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= -0.638 (180deg=-0.646) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.542 (180deg=-0.9) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 43 SER OG : rot 89:sc= 0.599 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.125 F(o=-0.93,f=0.12) USER MOD Single : A 54 SER OG : rot 57:sc= -0.542 USER MOD Single : A 58 SER OG : rot -114:sc= 0.314 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 23:sc= 0.298 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.731 (180deg=-1.06) USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.221 (180deg=-0.947) USER MOD Single : A 77 THR OG1 : rot -91:sc= 1.79 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -115:sc= -0.156 (180deg=-1.74!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.702 F(o=-1.7!,f=-0.7) USER MOD Single : A 100 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 101 MET CE :methyl -157:sc= -0.0988 (180deg=-0.927) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -8.29! C(o=-8.3!,f=-9!) USER MOD Single : A 108 ASN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 109 SER OG : rot -50:sc= 1.12 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 23:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.922 2.813 17.439 1.00 0.00 N ATOM 2 CA GLY A 1 -19.780 3.982 17.477 1.00 0.00 C ATOM 3 C GLY A 1 -19.115 5.210 16.887 1.00 0.00 C ATOM 4 O GLY A 1 -18.346 5.893 17.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.423 2.001 17.854 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.671 2.598 16.453 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.056 3.000 17.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.699 3.772 16.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.064 4.187 18.509 1.00 0.00 H new ATOM 8 N SER A 2 -19.408 5.490 15.622 1.00 0.00 N ATOM 9 CA SER A 2 -18.828 6.640 14.939 1.00 0.00 C ATOM 10 C SER A 2 -19.586 7.918 15.288 1.00 0.00 C ATOM 11 O SER A 2 -20.815 7.956 15.242 1.00 0.00 O ATOM 12 CB SER A 2 -18.842 6.422 13.425 1.00 0.00 C ATOM 13 OG SER A 2 -17.929 5.407 13.047 1.00 0.00 O ATOM 0 H SER A 2 -20.044 4.936 15.049 1.00 0.00 H new ATOM 0 HA SER A 2 -17.796 6.747 15.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.847 6.149 13.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.586 7.353 12.918 1.00 0.00 H new ATOM 0 HG SER A 2 -17.958 5.286 12.075 1.00 0.00 H new ATOM 19 N SER A 3 -18.842 8.963 15.636 1.00 0.00 N ATOM 20 CA SER A 3 -19.443 10.242 15.997 1.00 0.00 C ATOM 21 C SER A 3 -18.810 11.382 15.204 1.00 0.00 C ATOM 22 O SER A 3 -19.494 12.108 14.484 1.00 0.00 O ATOM 23 CB SER A 3 -19.284 10.499 17.496 1.00 0.00 C ATOM 24 OG SER A 3 -20.037 11.629 17.902 1.00 0.00 O ATOM 0 H SER A 3 -17.823 8.949 15.676 1.00 0.00 H new ATOM 0 HA SER A 3 -20.505 10.198 15.754 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.609 9.622 18.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.231 10.656 17.732 1.00 0.00 H new ATOM 0 HG SER A 3 -19.920 11.771 18.865 1.00 0.00 H new ATOM 30 N GLY A 4 -17.496 11.533 15.342 1.00 0.00 N ATOM 31 CA GLY A 4 -16.791 12.585 14.634 1.00 0.00 C ATOM 32 C GLY A 4 -15.354 12.215 14.325 1.00 0.00 C ATOM 33 O GLY A 4 -14.982 11.043 14.381 1.00 0.00 O ATOM 0 H GLY A 4 -16.907 10.945 15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.314 12.806 13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.808 13.496 15.233 1.00 0.00 H new ATOM 37 N SER A 5 -14.544 13.216 13.997 1.00 0.00 N ATOM 38 CA SER A 5 -13.141 12.989 13.672 1.00 0.00 C ATOM 39 C SER A 5 -12.990 11.826 12.696 1.00 0.00 C ATOM 40 O SER A 5 -12.176 10.927 12.906 1.00 0.00 O ATOM 41 CB SER A 5 -12.340 12.708 14.945 1.00 0.00 C ATOM 42 OG SER A 5 -12.240 13.870 15.751 1.00 0.00 O ATOM 0 H SER A 5 -14.835 14.192 13.949 1.00 0.00 H new ATOM 0 HA SER A 5 -12.753 13.891 13.198 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.819 11.909 15.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.342 12.358 14.681 1.00 0.00 H new ATOM 0 HG SER A 5 -11.725 13.664 16.559 1.00 0.00 H new ATOM 48 N SER A 6 -13.782 11.852 11.629 1.00 0.00 N ATOM 49 CA SER A 6 -13.740 10.798 10.621 1.00 0.00 C ATOM 50 C SER A 6 -12.520 10.956 9.719 1.00 0.00 C ATOM 51 O SER A 6 -12.379 11.956 9.016 1.00 0.00 O ATOM 52 CB SER A 6 -15.017 10.818 9.779 1.00 0.00 C ATOM 53 OG SER A 6 -15.281 9.543 9.221 1.00 0.00 O ATOM 0 H SER A 6 -14.460 12.590 11.440 1.00 0.00 H new ATOM 0 HA SER A 6 -13.667 9.840 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.859 11.129 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.919 11.554 8.981 1.00 0.00 H new ATOM 0 HG SER A 6 -16.103 9.583 8.689 1.00 0.00 H new ATOM 59 N GLY A 7 -11.639 9.961 9.746 1.00 0.00 N ATOM 60 CA GLY A 7 -10.442 10.008 8.927 1.00 0.00 C ATOM 61 C GLY A 7 -9.235 9.421 9.631 1.00 0.00 C ATOM 62 O GLY A 7 -8.714 10.007 10.581 1.00 0.00 O ATOM 0 H GLY A 7 -11.733 9.123 10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.618 9.463 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.232 11.042 8.654 1.00 0.00 H new ATOM 66 N LYS A 8 -8.788 8.259 9.167 1.00 0.00 N ATOM 67 CA LYS A 8 -7.634 7.591 9.758 1.00 0.00 C ATOM 68 C LYS A 8 -6.570 7.306 8.703 1.00 0.00 C ATOM 69 O LYS A 8 -6.544 6.229 8.107 1.00 0.00 O ATOM 70 CB LYS A 8 -8.064 6.284 10.429 1.00 0.00 C ATOM 71 CG LYS A 8 -8.903 6.489 11.678 1.00 0.00 C ATOM 72 CD LYS A 8 -10.334 6.867 11.334 1.00 0.00 C ATOM 73 CE LYS A 8 -11.268 6.649 12.514 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.828 5.269 12.531 1.00 0.00 N ATOM 0 H LYS A 8 -9.208 7.760 8.383 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.207 8.255 10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.631 5.688 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.175 5.709 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.900 5.576 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.457 7.271 12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.371 7.912 11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.674 6.274 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.729 6.833 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.083 7.371 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.459 5.161 13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.364 5.101 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.052 4.580 12.599 1.00 0.00 H new ATOM 88 N LYS A 9 -5.694 8.279 8.476 1.00 0.00 N ATOM 89 CA LYS A 9 -4.625 8.133 7.495 1.00 0.00 C ATOM 90 C LYS A 9 -4.047 6.722 7.525 1.00 0.00 C ATOM 91 O LYS A 9 -4.152 6.019 8.531 1.00 0.00 O ATOM 92 CB LYS A 9 -3.517 9.155 7.760 1.00 0.00 C ATOM 93 CG LYS A 9 -2.740 9.547 6.516 1.00 0.00 C ATOM 94 CD LYS A 9 -1.345 10.038 6.862 1.00 0.00 C ATOM 95 CE LYS A 9 -0.584 10.476 5.619 1.00 0.00 C ATOM 96 NZ LYS A 9 -1.183 11.690 5.001 1.00 0.00 N ATOM 0 H LYS A 9 -5.703 9.178 8.958 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.047 8.313 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.957 10.050 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.825 8.745 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.669 8.691 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.279 10.328 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.414 10.872 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.794 9.245 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.455 10.677 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.578 9.664 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.538 12.064 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.093 11.443 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.337 12.412 5.733 1.00 0.00 H new ATOM 110 N LEU A 10 -3.436 6.314 6.419 1.00 0.00 N ATOM 111 CA LEU A 10 -2.839 4.986 6.320 1.00 0.00 C ATOM 112 C LEU A 10 -1.372 5.077 5.911 1.00 0.00 C ATOM 113 O LEU A 10 -1.056 5.305 4.743 1.00 0.00 O ATOM 114 CB LEU A 10 -3.609 4.133 5.310 1.00 0.00 C ATOM 115 CG LEU A 10 -2.980 2.788 4.949 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.130 1.802 6.098 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.606 2.229 3.680 1.00 0.00 C ATOM 0 H LEU A 10 -3.341 6.883 5.578 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.895 4.516 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.608 3.949 5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.731 4.712 4.394 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.917 2.944 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.676 0.850 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.634 2.198 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.188 1.651 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.145 1.271 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.676 2.089 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.446 2.926 2.858 1.00 0.00 H new ATOM 129 N CYS A 11 -0.482 4.896 6.879 1.00 0.00 N ATOM 130 CA CYS A 11 0.952 4.957 6.620 1.00 0.00 C ATOM 131 C CYS A 11 1.701 3.927 7.460 1.00 0.00 C ATOM 132 O CYS A 11 1.169 3.405 8.439 1.00 0.00 O ATOM 133 CB CYS A 11 1.487 6.359 6.916 1.00 0.00 C ATOM 134 SG CYS A 11 1.172 6.928 8.603 1.00 0.00 S ATOM 0 H CYS A 11 -0.727 4.706 7.851 1.00 0.00 H new ATOM 0 HA CYS A 11 1.115 4.729 5.567 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.562 6.372 6.734 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.037 7.063 6.216 1.00 0.00 H new ATOM 0 HG CYS A 11 1.663 8.122 8.757 1.00 0.00 H new ATOM 140 N GLY A 12 2.938 3.638 7.069 1.00 0.00 N ATOM 141 CA GLY A 12 3.739 2.670 7.795 1.00 0.00 C ATOM 142 C GLY A 12 4.959 2.223 7.014 1.00 0.00 C ATOM 143 O GLY A 12 4.943 2.203 5.783 1.00 0.00 O ATOM 0 H GLY A 12 3.400 4.057 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.057 3.104 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.126 1.801 8.033 1.00 0.00 H new ATOM 147 N TYR A 13 6.020 1.867 7.730 1.00 0.00 N ATOM 148 CA TYR A 13 7.255 1.423 7.096 1.00 0.00 C ATOM 149 C TYR A 13 7.149 -0.035 6.657 1.00 0.00 C ATOM 150 O TYR A 13 6.635 -0.881 7.390 1.00 0.00 O ATOM 151 CB TYR A 13 8.435 1.594 8.054 1.00 0.00 C ATOM 152 CG TYR A 13 8.903 3.025 8.189 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.345 3.873 9.137 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.903 3.530 7.367 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.769 5.182 9.263 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.335 4.837 7.487 1.00 0.00 C ATOM 157 CZ TYR A 13 9.765 5.659 8.436 1.00 0.00 C ATOM 158 OH TYR A 13 10.191 6.961 8.558 1.00 0.00 O ATOM 0 H TYR A 13 6.049 1.877 8.750 1.00 0.00 H new ATOM 0 HA TYR A 13 7.421 2.039 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.151 1.219 9.037 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.266 0.980 7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.566 3.503 9.787 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.350 2.890 6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.323 5.828 10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.115 5.213 6.841 1.00 0.00 H new ATOM 0 HH TYR A 13 10.898 7.137 7.902 1.00 0.00 H new ATOM 168 N LEU A 14 7.640 -0.321 5.456 1.00 0.00 N ATOM 169 CA LEU A 14 7.602 -1.676 4.918 1.00 0.00 C ATOM 170 C LEU A 14 8.938 -2.047 4.282 1.00 0.00 C ATOM 171 O LEU A 14 9.819 -1.201 4.127 1.00 0.00 O ATOM 172 CB LEU A 14 6.480 -1.805 3.886 1.00 0.00 C ATOM 173 CG LEU A 14 5.057 -1.629 4.416 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.067 -1.529 3.266 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.687 -2.779 5.342 1.00 0.00 C ATOM 0 H LEU A 14 8.069 0.367 4.837 1.00 0.00 H new ATOM 0 HA LEU A 14 7.410 -2.362 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.648 -1.067 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.554 -2.787 3.420 1.00 0.00 H new ATOM 0 HG LEU A 14 5.015 -0.701 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.060 -1.404 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.320 -0.672 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.111 -2.439 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.671 -2.637 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.747 -3.720 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.378 -2.804 6.185 1.00 0.00 H new ATOM 187 N SER A 15 9.081 -3.316 3.914 1.00 0.00 N ATOM 188 CA SER A 15 10.310 -3.800 3.296 1.00 0.00 C ATOM 189 C SER A 15 10.036 -4.353 1.902 1.00 0.00 C ATOM 190 O SER A 15 9.344 -5.360 1.745 1.00 0.00 O ATOM 191 CB SER A 15 10.954 -4.879 4.169 1.00 0.00 C ATOM 192 OG SER A 15 11.727 -4.302 5.207 1.00 0.00 O ATOM 0 H SER A 15 8.361 -4.028 4.033 1.00 0.00 H new ATOM 0 HA SER A 15 10.997 -2.959 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.179 -5.514 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.586 -5.519 3.554 1.00 0.00 H new ATOM 0 HG SER A 15 12.126 -5.013 5.751 1.00 0.00 H new ATOM 198 N LYS A 16 10.583 -3.688 0.890 1.00 0.00 N ATOM 199 CA LYS A 16 10.400 -4.112 -0.493 1.00 0.00 C ATOM 200 C LYS A 16 11.419 -5.182 -0.874 1.00 0.00 C ATOM 201 O LYS A 16 12.627 -4.969 -0.765 1.00 0.00 O ATOM 202 CB LYS A 16 10.527 -2.914 -1.436 1.00 0.00 C ATOM 203 CG LYS A 16 9.729 -3.064 -2.721 1.00 0.00 C ATOM 204 CD LYS A 16 9.836 -1.823 -3.591 1.00 0.00 C ATOM 205 CE LYS A 16 8.786 -1.823 -4.692 1.00 0.00 C ATOM 206 NZ LYS A 16 7.525 -1.162 -4.256 1.00 0.00 N ATOM 0 H LYS A 16 11.157 -2.852 1.002 1.00 0.00 H new ATOM 0 HA LYS A 16 9.401 -4.537 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.196 -2.016 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.578 -2.769 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.090 -3.930 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.683 -3.252 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.717 -0.933 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.830 -1.773 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.180 -1.310 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.573 -2.849 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.841 -1.168 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.126 -1.676 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.726 -0.180 -3.979 1.00 0.00 H new ATOM 220 N PHE A 17 10.924 -6.331 -1.321 1.00 0.00 N ATOM 221 CA PHE A 17 11.792 -7.434 -1.719 1.00 0.00 C ATOM 222 C PHE A 17 12.260 -7.265 -3.161 1.00 0.00 C ATOM 223 O PHE A 17 11.473 -7.385 -4.099 1.00 0.00 O ATOM 224 CB PHE A 17 11.061 -8.768 -1.561 1.00 0.00 C ATOM 225 CG PHE A 17 11.945 -9.965 -1.771 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.102 -10.127 -1.026 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.618 -10.927 -2.713 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.917 -11.226 -1.218 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.429 -12.029 -2.909 1.00 0.00 C ATOM 230 CZ PHE A 17 13.580 -12.179 -2.160 1.00 0.00 C ATOM 0 H PHE A 17 9.927 -6.523 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 17 12.667 -7.428 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.626 -8.819 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.235 -8.807 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.370 -9.386 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.719 -10.815 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.817 -11.340 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.163 -12.772 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.215 -13.039 -2.310 1.00 0.00 H new ATOM 240 N GLY A 18 13.549 -6.984 -3.330 1.00 0.00 N ATOM 241 CA GLY A 18 14.100 -6.802 -4.660 1.00 0.00 C ATOM 242 C GLY A 18 14.174 -5.343 -5.063 1.00 0.00 C ATOM 243 O GLY A 18 13.238 -4.806 -5.653 1.00 0.00 O ATOM 0 H GLY A 18 14.221 -6.879 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.099 -7.237 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.488 -7.344 -5.381 1.00 0.00 H new ATOM 247 N GLY A 19 15.291 -4.697 -4.741 1.00 0.00 N ATOM 248 CA GLY A 19 15.462 -3.296 -5.078 1.00 0.00 C ATOM 249 C GLY A 19 16.912 -2.858 -5.018 1.00 0.00 C ATOM 250 O GLY A 19 17.358 -2.046 -5.829 1.00 0.00 O ATOM 0 H GLY A 19 16.081 -5.119 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.073 -3.116 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.873 -2.686 -4.393 1.00 0.00 H new ATOM 254 N LYS A 20 17.652 -3.396 -4.054 1.00 0.00 N ATOM 255 CA LYS A 20 19.060 -3.057 -3.890 1.00 0.00 C ATOM 256 C LYS A 20 19.751 -2.930 -5.244 1.00 0.00 C ATOM 257 O LYS A 20 20.354 -1.902 -5.550 1.00 0.00 O ATOM 258 CB LYS A 20 19.766 -4.118 -3.043 1.00 0.00 C ATOM 259 CG LYS A 20 19.404 -4.060 -1.569 1.00 0.00 C ATOM 260 CD LYS A 20 20.312 -3.108 -0.809 1.00 0.00 C ATOM 261 CE LYS A 20 20.285 -3.386 0.686 1.00 0.00 C ATOM 262 NZ LYS A 20 20.968 -2.315 1.463 1.00 0.00 N ATOM 0 H LYS A 20 17.299 -4.069 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 20 19.119 -2.095 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 19.517 -5.106 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 20.844 -3.997 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.368 -3.740 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 20 19.477 -5.058 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 20 21.333 -3.203 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 20 20.000 -2.080 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.251 -3.474 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.767 -4.343 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.928 -2.542 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 21.961 -2.248 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.493 -1.406 1.293 1.00 0.00 H new ATOM 276 N GLY A 21 19.656 -3.981 -6.053 1.00 0.00 N ATOM 277 CA GLY A 21 20.276 -3.965 -7.365 1.00 0.00 C ATOM 278 C GLY A 21 20.110 -5.281 -8.100 1.00 0.00 C ATOM 279 O GLY A 21 18.995 -5.741 -8.349 1.00 0.00 O ATOM 0 H GLY A 21 19.161 -4.843 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 21 19.840 -3.162 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.338 -3.743 -7.259 1.00 0.00 H new ATOM 283 N PRO A 22 21.239 -5.907 -8.463 1.00 0.00 N ATOM 284 CA PRO A 22 21.240 -7.185 -9.180 1.00 0.00 C ATOM 285 C PRO A 22 20.763 -8.341 -8.307 1.00 0.00 C ATOM 286 O PRO A 22 20.328 -9.376 -8.813 1.00 0.00 O ATOM 287 CB PRO A 22 22.709 -7.376 -9.564 1.00 0.00 C ATOM 288 CG PRO A 22 23.470 -6.593 -8.550 1.00 0.00 C ATOM 289 CD PRO A 22 22.602 -5.416 -8.199 1.00 0.00 C ATOM 0 HA PRO A 22 20.560 -7.174 -10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.990 -8.429 -9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 22 22.905 -7.013 -10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 22 23.682 -7.198 -7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 22 24.429 -6.265 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.728 -5.120 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 22 22.840 -4.545 -8.809 1.00 0.00 H new ATOM 297 N ILE A 23 20.847 -8.157 -6.993 1.00 0.00 N ATOM 298 CA ILE A 23 20.422 -9.184 -6.050 1.00 0.00 C ATOM 299 C ILE A 23 19.095 -8.816 -5.397 1.00 0.00 C ATOM 300 O ILE A 23 18.746 -7.639 -5.297 1.00 0.00 O ATOM 301 CB ILE A 23 21.477 -9.410 -4.951 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.396 -8.301 -3.901 1.00 0.00 C ATOM 303 CG2 ILE A 23 22.871 -9.471 -5.559 1.00 0.00 C ATOM 304 CD1 ILE A 23 21.735 -6.930 -4.442 1.00 0.00 C ATOM 0 H ILE A 23 21.205 -7.307 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 23 20.300 -10.105 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 23 21.273 -10.363 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.389 -8.279 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.075 -8.537 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.606 -9.631 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 23 22.921 -10.293 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.086 -8.533 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.657 -6.194 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.753 -6.934 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.040 -6.672 -5.242 1.00 0.00 H new ATOM 316 N ARG A 24 18.359 -9.829 -4.952 1.00 0.00 N ATOM 317 CA ARG A 24 17.069 -9.612 -4.307 1.00 0.00 C ATOM 318 C ARG A 24 17.210 -9.636 -2.788 1.00 0.00 C ATOM 319 O ARG A 24 17.806 -10.553 -2.224 1.00 0.00 O ATOM 320 CB ARG A 24 16.066 -10.676 -4.754 1.00 0.00 C ATOM 321 CG ARG A 24 14.620 -10.210 -4.704 1.00 0.00 C ATOM 322 CD ARG A 24 13.769 -10.920 -5.745 1.00 0.00 C ATOM 323 NE ARG A 24 13.789 -10.229 -7.031 1.00 0.00 N ATOM 324 CZ ARG A 24 13.297 -10.746 -8.152 1.00 0.00 C ATOM 325 NH1 ARG A 24 12.750 -11.954 -8.143 1.00 0.00 N ATOM 326 NH2 ARG A 24 13.353 -10.056 -9.283 1.00 0.00 N ATOM 0 H ARG A 24 18.634 -10.808 -5.026 1.00 0.00 H new ATOM 0 HA ARG A 24 16.703 -8.630 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.305 -10.983 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.177 -11.556 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.211 -10.395 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.578 -9.134 -4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.132 -11.940 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.742 -10.990 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 24 14.204 -9.298 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.706 -12.488 -7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.373 -12.349 -9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.774 -9.127 -9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.975 -10.454 -10.143 1.00 0.00 H new ATOM 340 N GLY A 25 16.658 -8.621 -2.131 1.00 0.00 N ATOM 341 CA GLY A 25 16.733 -8.545 -0.684 1.00 0.00 C ATOM 342 C GLY A 25 15.776 -7.522 -0.106 1.00 0.00 C ATOM 343 O GLY A 25 15.400 -6.563 -0.781 1.00 0.00 O ATOM 0 H GLY A 25 16.160 -7.850 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.512 -9.525 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.751 -8.292 -0.389 1.00 0.00 H new ATOM 347 N TRP A 26 15.378 -7.727 1.144 1.00 0.00 N ATOM 348 CA TRP A 26 14.456 -6.814 1.812 1.00 0.00 C ATOM 349 C TRP A 26 15.164 -5.528 2.222 1.00 0.00 C ATOM 350 O TRP A 26 16.193 -5.562 2.897 1.00 0.00 O ATOM 351 CB TRP A 26 13.841 -7.487 3.040 1.00 0.00 C ATOM 352 CG TRP A 26 13.090 -8.743 2.716 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.582 -10.017 2.727 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.715 -8.845 2.332 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.595 -10.905 2.372 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.440 -10.211 2.126 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.688 -7.916 2.145 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.182 -10.667 1.741 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.440 -8.370 1.762 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.196 -9.735 1.564 1.00 0.00 C ATOM 0 H TRP A 26 15.679 -8.516 1.716 1.00 0.00 H new ATOM 0 HA TRP A 26 13.662 -6.560 1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.632 -7.719 3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.166 -6.785 3.530 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.597 -10.287 2.978 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.705 -11.917 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 26 10.866 -6.862 2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.991 -11.719 1.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.640 -7.660 1.613 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.210 -10.058 1.266 1.00 0.00 H new ATOM 371 N LYS A 27 14.607 -4.394 1.811 1.00 0.00 N ATOM 372 CA LYS A 27 15.185 -3.096 2.137 1.00 0.00 C ATOM 373 C LYS A 27 14.203 -2.250 2.942 1.00 0.00 C ATOM 374 O LYS A 27 13.001 -2.254 2.674 1.00 0.00 O ATOM 375 CB LYS A 27 15.582 -2.355 0.858 1.00 0.00 C ATOM 376 CG LYS A 27 14.424 -2.127 -0.098 1.00 0.00 C ATOM 377 CD LYS A 27 13.773 -0.773 0.129 1.00 0.00 C ATOM 378 CE LYS A 27 12.787 -0.436 -0.979 1.00 0.00 C ATOM 379 NZ LYS A 27 13.299 -0.839 -2.318 1.00 0.00 N ATOM 0 H LYS A 27 13.756 -4.348 1.251 1.00 0.00 H new ATOM 0 HA LYS A 27 16.075 -3.265 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.016 -1.392 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.359 -2.923 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.781 -2.193 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.682 -2.915 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.257 -0.773 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.542 -0.002 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.839 -0.938 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.587 0.636 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.746 -0.363 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.299 -0.567 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.210 -1.869 -2.428 1.00 0.00 H new ATOM 393 N SER A 28 14.722 -1.525 3.927 1.00 0.00 N ATOM 394 CA SER A 28 13.890 -0.676 4.772 1.00 0.00 C ATOM 395 C SER A 28 13.518 0.614 4.047 1.00 0.00 C ATOM 396 O SER A 28 14.385 1.416 3.700 1.00 0.00 O ATOM 397 CB SER A 28 14.619 -0.349 6.077 1.00 0.00 C ATOM 398 OG SER A 28 14.822 -1.516 6.854 1.00 0.00 O ATOM 0 H SER A 28 15.715 -1.508 4.160 1.00 0.00 H new ATOM 0 HA SER A 28 12.974 -1.220 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.580 0.115 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.040 0.376 6.649 1.00 0.00 H new ATOM 0 HG SER A 28 15.291 -1.280 7.682 1.00 0.00 H new ATOM 404 N ARG A 29 12.222 0.806 3.823 1.00 0.00 N ATOM 405 CA ARG A 29 11.734 1.997 3.139 1.00 0.00 C ATOM 406 C ARG A 29 10.455 2.514 3.792 1.00 0.00 C ATOM 407 O ARG A 29 9.764 1.776 4.495 1.00 0.00 O ATOM 408 CB ARG A 29 11.477 1.693 1.661 1.00 0.00 C ATOM 409 CG ARG A 29 11.386 2.936 0.791 1.00 0.00 C ATOM 410 CD ARG A 29 12.716 3.671 0.730 1.00 0.00 C ATOM 411 NE ARG A 29 13.787 2.823 0.213 1.00 0.00 N ATOM 412 CZ ARG A 29 13.985 2.596 -1.081 1.00 0.00 C ATOM 413 NH1 ARG A 29 13.189 3.150 -1.984 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.981 1.812 -1.473 1.00 0.00 N ATOM 0 H ARG A 29 11.492 0.152 4.105 1.00 0.00 H new ATOM 0 HA ARG A 29 12.499 2.769 3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.277 1.055 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.549 1.128 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.078 2.655 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.619 3.602 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.614 4.553 0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.982 4.023 1.727 1.00 0.00 H new ATOM 0 HE ARG A 29 14.417 2.381 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.422 3.753 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.344 2.974 -2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.595 1.383 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.132 1.638 -2.467 1.00 0.00 H new ATOM 428 N TRP A 30 10.149 3.784 3.556 1.00 0.00 N ATOM 429 CA TRP A 30 8.954 4.400 4.123 1.00 0.00 C ATOM 430 C TRP A 30 7.797 4.357 3.130 1.00 0.00 C ATOM 431 O TRP A 30 7.892 4.899 2.029 1.00 0.00 O ATOM 432 CB TRP A 30 9.243 5.846 4.526 1.00 0.00 C ATOM 433 CG TRP A 30 8.005 6.642 4.811 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.586 7.766 4.160 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.029 6.375 5.824 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.407 8.214 4.706 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.044 7.377 5.728 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.889 5.385 6.801 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.938 7.417 6.572 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.791 5.426 7.638 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.827 6.436 7.519 1.00 0.00 C ATOM 0 H TRP A 30 10.711 4.408 2.976 1.00 0.00 H new ATOM 0 HA TRP A 30 8.669 3.834 5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.880 5.849 5.411 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.804 6.333 3.728 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.105 8.235 3.337 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.887 9.036 4.400 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.626 4.602 6.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.194 8.195 6.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.673 4.667 8.397 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.979 6.440 8.188 1.00 0.00 H new ATOM 452 N PHE A 31 6.706 3.711 3.527 1.00 0.00 N ATOM 453 CA PHE A 31 5.531 3.598 2.671 1.00 0.00 C ATOM 454 C PHE A 31 4.358 4.384 3.251 1.00 0.00 C ATOM 455 O PHE A 31 4.111 4.353 4.456 1.00 0.00 O ATOM 456 CB PHE A 31 5.139 2.129 2.498 1.00 0.00 C ATOM 457 CG PHE A 31 6.011 1.386 1.526 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.256 0.917 1.911 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.584 1.158 0.228 1.00 0.00 C ATOM 460 CE1 PHE A 31 8.060 0.234 1.018 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.384 0.475 -0.669 1.00 0.00 C ATOM 462 CZ PHE A 31 7.624 0.012 -0.273 1.00 0.00 C ATOM 0 H PHE A 31 6.611 3.258 4.436 1.00 0.00 H new ATOM 0 HA PHE A 31 5.781 4.018 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.184 1.633 3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.104 2.075 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.602 1.087 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.616 1.518 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.029 -0.126 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.040 0.304 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.251 -0.522 -0.972 1.00 0.00 H new ATOM 472 N PHE A 32 3.640 5.088 2.383 1.00 0.00 N ATOM 473 CA PHE A 32 2.494 5.884 2.807 1.00 0.00 C ATOM 474 C PHE A 32 1.463 5.994 1.688 1.00 0.00 C ATOM 475 O PHE A 32 1.816 6.137 0.517 1.00 0.00 O ATOM 476 CB PHE A 32 2.947 7.281 3.237 1.00 0.00 C ATOM 477 CG PHE A 32 3.340 8.164 2.088 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.376 8.821 1.341 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.674 8.337 1.754 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.734 9.635 0.282 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.038 9.150 0.697 1.00 0.00 C ATOM 482 CZ PHE A 32 4.067 9.798 -0.041 1.00 0.00 C ATOM 0 H PHE A 32 3.831 5.124 1.382 1.00 0.00 H new ATOM 0 HA PHE A 32 2.030 5.382 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.142 7.760 3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.793 7.186 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.332 8.696 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.438 7.831 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.973 10.142 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.081 9.278 0.448 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.349 10.431 -0.869 1.00 0.00 H new ATOM 492 N TYR A 33 0.189 5.926 2.056 1.00 0.00 N ATOM 493 CA TYR A 33 -0.894 6.015 1.084 1.00 0.00 C ATOM 494 C TYR A 33 -1.225 7.470 0.769 1.00 0.00 C ATOM 495 O TYR A 33 -0.959 8.367 1.570 1.00 0.00 O ATOM 496 CB TYR A 33 -2.139 5.299 1.609 1.00 0.00 C ATOM 497 CG TYR A 33 -3.366 5.510 0.751 1.00 0.00 C ATOM 498 CD1 TYR A 33 -3.596 4.725 -0.373 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.296 6.493 1.064 1.00 0.00 C ATOM 500 CE1 TYR A 33 -4.715 4.915 -1.160 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.419 6.689 0.283 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.624 5.898 -0.828 1.00 0.00 C ATOM 503 OH TYR A 33 -6.740 6.089 -1.609 1.00 0.00 O ATOM 0 H TYR A 33 -0.120 5.809 3.021 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.564 5.529 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.932 4.231 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.349 5.647 2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.887 3.953 -0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.139 7.115 1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.877 4.297 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.132 7.458 0.541 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.278 6.819 -1.237 1.00 0.00 H new ATOM 513 N ASP A 34 -1.808 7.697 -0.404 1.00 0.00 N ATOM 514 CA ASP A 34 -2.178 9.043 -0.826 1.00 0.00 C ATOM 515 C ASP A 34 -3.648 9.100 -1.232 1.00 0.00 C ATOM 516 O ASP A 34 -4.028 8.604 -2.292 1.00 0.00 O ATOM 517 CB ASP A 34 -1.296 9.496 -1.991 1.00 0.00 C ATOM 518 CG ASP A 34 -1.178 11.005 -2.075 1.00 0.00 C ATOM 519 OD1 ASP A 34 -0.704 11.618 -1.096 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.560 11.573 -3.119 1.00 0.00 O ATOM 0 H ASP A 34 -2.034 6.966 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.026 9.717 0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.302 9.062 -1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.708 9.114 -2.925 1.00 0.00 H new ATOM 525 N GLU A 35 -4.468 9.707 -0.380 1.00 0.00 N ATOM 526 CA GLU A 35 -5.896 9.827 -0.650 1.00 0.00 C ATOM 527 C GLU A 35 -6.166 10.926 -1.674 1.00 0.00 C ATOM 528 O GLU A 35 -7.294 11.091 -2.140 1.00 0.00 O ATOM 529 CB GLU A 35 -6.660 10.120 0.643 1.00 0.00 C ATOM 530 CG GLU A 35 -6.276 11.440 1.290 1.00 0.00 C ATOM 531 CD GLU A 35 -7.347 11.963 2.228 1.00 0.00 C ATOM 532 OE1 GLU A 35 -8.526 12.002 1.819 1.00 0.00 O ATOM 533 OE2 GLU A 35 -7.006 12.333 3.371 1.00 0.00 O ATOM 0 H GLU A 35 -4.169 10.123 0.502 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.243 8.879 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.729 10.127 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.481 9.312 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.345 11.312 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.086 12.180 0.512 1.00 0.00 H new ATOM 540 N ARG A 36 -5.124 11.674 -2.018 1.00 0.00 N ATOM 541 CA ARG A 36 -5.248 12.759 -2.985 1.00 0.00 C ATOM 542 C ARG A 36 -5.405 12.211 -4.400 1.00 0.00 C ATOM 543 O ARG A 36 -6.262 12.661 -5.161 1.00 0.00 O ATOM 544 CB ARG A 36 -4.025 13.676 -2.914 1.00 0.00 C ATOM 545 CG ARG A 36 -4.169 14.807 -1.909 1.00 0.00 C ATOM 546 CD ARG A 36 -4.712 16.067 -2.563 1.00 0.00 C ATOM 547 NE ARG A 36 -4.696 17.208 -1.651 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.584 17.816 -1.255 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.403 17.396 -1.689 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.650 18.848 -0.423 1.00 0.00 N ATOM 0 H ARG A 36 -4.184 11.549 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.140 13.334 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.150 13.080 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.841 14.100 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.836 14.497 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.200 15.019 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.119 16.301 -3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.732 15.888 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.588 17.557 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.347 16.604 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.551 17.865 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.556 19.175 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.795 19.314 -0.120 1.00 0.00 H new ATOM 564 N LYS A 37 -4.572 11.235 -4.747 1.00 0.00 N ATOM 565 CA LYS A 37 -4.618 10.624 -6.070 1.00 0.00 C ATOM 566 C LYS A 37 -4.967 9.143 -5.973 1.00 0.00 C ATOM 567 O LYS A 37 -4.801 8.392 -6.935 1.00 0.00 O ATOM 568 CB LYS A 37 -3.273 10.796 -6.781 1.00 0.00 C ATOM 569 CG LYS A 37 -2.680 12.186 -6.631 1.00 0.00 C ATOM 570 CD LYS A 37 -1.561 12.426 -7.631 1.00 0.00 C ATOM 571 CE LYS A 37 -0.659 13.570 -7.194 1.00 0.00 C ATOM 572 NZ LYS A 37 0.707 13.452 -7.776 1.00 0.00 N ATOM 0 H LYS A 37 -3.857 10.850 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.394 11.126 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.567 10.064 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.401 10.577 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.461 12.933 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.297 12.312 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.970 11.517 -7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.987 12.650 -8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.102 14.518 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.591 13.584 -6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.291 14.250 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.140 12.559 -7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.644 13.465 -8.814 1.00 0.00 H new ATOM 586 N CYS A 38 -5.452 8.729 -4.807 1.00 0.00 N ATOM 587 CA CYS A 38 -5.826 7.337 -4.585 1.00 0.00 C ATOM 588 C CYS A 38 -4.696 6.398 -4.996 1.00 0.00 C ATOM 589 O CYS A 38 -4.920 5.411 -5.696 1.00 0.00 O ATOM 590 CB CYS A 38 -7.096 6.997 -5.366 1.00 0.00 C ATOM 591 SG CYS A 38 -8.120 5.723 -4.593 1.00 0.00 S ATOM 0 H CYS A 38 -5.595 9.338 -4.001 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.016 7.204 -3.520 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.690 7.903 -5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.817 6.666 -6.366 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.802 5.614 -3.337 1.00 0.00 H new ATOM 597 N GLN A 39 -3.482 6.715 -4.557 1.00 0.00 N ATOM 598 CA GLN A 39 -2.317 5.901 -4.882 1.00 0.00 C ATOM 599 C GLN A 39 -1.389 5.774 -3.678 1.00 0.00 C ATOM 600 O GLN A 39 -1.353 6.651 -2.813 1.00 0.00 O ATOM 601 CB GLN A 39 -1.558 6.507 -6.063 1.00 0.00 C ATOM 602 CG GLN A 39 -2.022 5.988 -7.415 1.00 0.00 C ATOM 603 CD GLN A 39 -1.437 6.772 -8.573 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.705 7.963 -8.731 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.631 6.105 -9.392 1.00 0.00 N ATOM 0 H GLN A 39 -3.280 7.529 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.666 4.905 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.673 7.591 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.495 6.296 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.742 4.939 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.110 6.033 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.436 5.118 -9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.207 6.580 -10.189 1.00 0.00 H new ATOM 614 N LEU A 40 -0.640 4.678 -3.627 1.00 0.00 N ATOM 615 CA LEU A 40 0.288 4.436 -2.528 1.00 0.00 C ATOM 616 C LEU A 40 1.698 4.885 -2.898 1.00 0.00 C ATOM 617 O LEU A 40 2.320 4.330 -3.804 1.00 0.00 O ATOM 618 CB LEU A 40 0.294 2.952 -2.157 1.00 0.00 C ATOM 619 CG LEU A 40 1.377 2.510 -1.172 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.982 2.867 0.252 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.635 1.016 -1.298 1.00 0.00 C ATOM 0 H LEU A 40 -0.657 3.943 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.045 5.018 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.678 2.700 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.404 2.370 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 40 2.299 3.039 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.765 2.545 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.850 3.946 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.048 2.367 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.408 0.719 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.717 0.469 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.965 0.788 -2.312 1.00 0.00 H new ATOM 633 N TYR A 41 2.198 5.891 -2.189 1.00 0.00 N ATOM 634 CA TYR A 41 3.535 6.415 -2.442 1.00 0.00 C ATOM 635 C TYR A 41 4.496 6.018 -1.326 1.00 0.00 C ATOM 636 O TYR A 41 4.089 5.826 -0.180 1.00 0.00 O ATOM 637 CB TYR A 41 3.491 7.938 -2.576 1.00 0.00 C ATOM 638 CG TYR A 41 2.586 8.423 -3.685 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.214 8.211 -3.632 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.103 9.094 -4.787 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.383 8.652 -4.644 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.279 9.540 -5.803 1.00 0.00 C ATOM 643 CZ TYR A 41 0.921 9.316 -5.727 1.00 0.00 C ATOM 644 OH TYR A 41 0.096 9.758 -6.736 1.00 0.00 O ATOM 0 H TYR A 41 1.697 6.360 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 41 3.896 5.985 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.157 8.368 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.501 8.308 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.790 7.692 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.167 9.270 -4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.681 8.478 -4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.697 10.061 -6.652 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.324 8.989 -7.176 1.00 0.00 H new ATOM 654 N TYR A 42 5.773 5.897 -1.670 1.00 0.00 N ATOM 655 CA TYR A 42 6.794 5.521 -0.699 1.00 0.00 C ATOM 656 C TYR A 42 8.122 6.203 -1.013 1.00 0.00 C ATOM 657 O TYR A 42 8.464 6.413 -2.177 1.00 0.00 O ATOM 658 CB TYR A 42 6.978 4.003 -0.682 1.00 0.00 C ATOM 659 CG TYR A 42 7.741 3.473 -1.875 1.00 0.00 C ATOM 660 CD1 TYR A 42 9.109 3.681 -1.998 1.00 0.00 C ATOM 661 CD2 TYR A 42 7.093 2.764 -2.879 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.810 3.199 -3.086 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.786 2.276 -3.970 1.00 0.00 C ATOM 664 CZ TYR A 42 9.144 2.497 -4.069 1.00 0.00 C ATOM 665 OH TYR A 42 9.838 2.014 -5.155 1.00 0.00 O ATOM 0 H TYR A 42 6.126 6.054 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 42 6.461 5.850 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.503 3.719 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.998 3.527 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.634 4.229 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.029 2.591 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.873 3.371 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.268 1.725 -4.741 1.00 0.00 H new ATOM 0 HH TYR A 42 9.222 1.542 -5.753 1.00 0.00 H new ATOM 675 N SER A 43 8.867 6.544 0.033 1.00 0.00 N ATOM 676 CA SER A 43 10.157 7.204 -0.130 1.00 0.00 C ATOM 677 C SER A 43 11.160 6.700 0.904 1.00 0.00 C ATOM 678 O SER A 43 10.868 5.782 1.671 1.00 0.00 O ATOM 679 CB SER A 43 9.997 8.720 -0.004 1.00 0.00 C ATOM 680 OG SER A 43 9.272 9.062 1.164 1.00 0.00 O ATOM 0 H SER A 43 8.600 6.374 1.003 1.00 0.00 H new ATOM 0 HA SER A 43 10.536 6.967 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.979 9.191 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.481 9.108 -0.882 1.00 0.00 H new ATOM 0 HG SER A 43 9.893 9.175 1.913 1.00 0.00 H new ATOM 686 N ARG A 44 12.342 7.307 0.917 1.00 0.00 N ATOM 687 CA ARG A 44 13.389 6.920 1.855 1.00 0.00 C ATOM 688 C ARG A 44 12.908 7.063 3.296 1.00 0.00 C ATOM 689 O ARG A 44 13.057 6.148 4.107 1.00 0.00 O ATOM 690 CB ARG A 44 14.640 7.772 1.636 1.00 0.00 C ATOM 691 CG ARG A 44 15.087 7.837 0.185 1.00 0.00 C ATOM 692 CD ARG A 44 16.233 8.818 -0.002 1.00 0.00 C ATOM 693 NE ARG A 44 17.536 8.169 0.124 1.00 0.00 N ATOM 694 CZ ARG A 44 17.985 7.252 -0.725 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.241 6.878 -1.757 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.181 6.707 -0.544 1.00 0.00 N ATOM 0 H ARG A 44 12.599 8.069 0.289 1.00 0.00 H new ATOM 0 HA ARG A 44 13.635 5.874 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.447 8.784 1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.453 7.370 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.398 6.846 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.247 8.134 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.154 9.285 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.152 9.615 0.737 1.00 0.00 H new ATOM 0 HE ARG A 44 18.133 8.435 0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.321 7.295 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.589 6.173 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.757 6.992 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.525 6.003 -1.197 1.00 0.00 H new ATOM 710 N THR A 45 12.331 8.219 3.610 1.00 0.00 N ATOM 711 CA THR A 45 11.830 8.484 4.953 1.00 0.00 C ATOM 712 C THR A 45 10.541 9.295 4.908 1.00 0.00 C ATOM 713 O THR A 45 10.031 9.610 3.834 1.00 0.00 O ATOM 714 CB THR A 45 12.870 9.240 5.801 1.00 0.00 C ATOM 715 OG1 THR A 45 12.937 10.609 5.388 1.00 0.00 O ATOM 716 CG2 THR A 45 14.244 8.598 5.672 1.00 0.00 C ATOM 0 H THR A 45 12.199 8.987 2.952 1.00 0.00 H new ATOM 0 HA THR A 45 11.631 7.516 5.413 1.00 0.00 H new ATOM 0 HB THR A 45 12.560 9.191 6.845 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.000 11.186 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.962 9.149 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.196 7.564 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.559 8.620 4.629 1.00 0.00 H new ATOM 724 N ALA A 46 10.017 9.631 6.083 1.00 0.00 N ATOM 725 CA ALA A 46 8.788 10.408 6.178 1.00 0.00 C ATOM 726 C ALA A 46 9.062 11.895 5.979 1.00 0.00 C ATOM 727 O ALA A 46 8.144 12.676 5.731 1.00 0.00 O ATOM 728 CB ALA A 46 8.114 10.168 7.521 1.00 0.00 C ATOM 0 H ALA A 46 10.425 9.377 6.982 1.00 0.00 H new ATOM 0 HA ALA A 46 8.117 10.080 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.197 10.755 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.874 9.110 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.787 10.467 8.324 1.00 0.00 H new ATOM 734 N GLN A 47 10.330 12.279 6.092 1.00 0.00 N ATOM 735 CA GLN A 47 10.723 13.673 5.926 1.00 0.00 C ATOM 736 C GLN A 47 10.796 14.046 4.448 1.00 0.00 C ATOM 737 O GLN A 47 10.632 15.210 4.083 1.00 0.00 O ATOM 738 CB GLN A 47 12.075 13.926 6.595 1.00 0.00 C ATOM 739 CG GLN A 47 12.023 13.866 8.113 1.00 0.00 C ATOM 740 CD GLN A 47 12.228 12.463 8.648 1.00 0.00 C ATOM 741 OE1 GLN A 47 12.805 11.607 7.976 1.00 0.00 O ATOM 742 NE2 GLN A 47 11.757 12.218 9.865 1.00 0.00 N ATOM 0 H GLN A 47 11.102 11.645 6.298 1.00 0.00 H new ATOM 0 HA GLN A 47 9.967 14.297 6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.793 13.189 6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.444 14.905 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.788 14.524 8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.060 14.244 8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.285 12.956 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.867 11.292 10.277 1.00 0.00 H new ATOM 751 N ASP A 48 11.042 13.050 3.604 1.00 0.00 N ATOM 752 CA ASP A 48 11.136 13.274 2.166 1.00 0.00 C ATOM 753 C ASP A 48 9.750 13.439 1.550 1.00 0.00 C ATOM 754 O ASP A 48 9.272 12.564 0.829 1.00 0.00 O ATOM 755 CB ASP A 48 11.870 12.112 1.494 1.00 0.00 C ATOM 756 CG ASP A 48 13.376 12.224 1.629 1.00 0.00 C ATOM 757 OD1 ASP A 48 13.863 12.337 2.773 1.00 0.00 O ATOM 758 OD2 ASP A 48 14.068 12.197 0.589 1.00 0.00 O ATOM 0 H ASP A 48 11.180 12.081 3.890 1.00 0.00 H new ATOM 0 HA ASP A 48 11.699 14.193 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.537 11.172 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.604 12.080 0.437 1.00 0.00 H new ATOM 763 N ALA A 49 9.110 14.567 1.841 1.00 0.00 N ATOM 764 CA ALA A 49 7.780 14.848 1.315 1.00 0.00 C ATOM 765 C ALA A 49 7.628 14.318 -0.107 1.00 0.00 C ATOM 766 O ALA A 49 6.571 13.813 -0.481 1.00 0.00 O ATOM 767 CB ALA A 49 7.501 16.343 1.356 1.00 0.00 C ATOM 0 H ALA A 49 9.491 15.301 2.438 1.00 0.00 H new ATOM 0 HA ALA A 49 7.052 14.336 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.504 16.538 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.558 16.696 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.241 16.868 0.751 1.00 0.00 H new ATOM 773 N ASN A 50 8.692 14.438 -0.894 1.00 0.00 N ATOM 774 CA ASN A 50 8.676 13.972 -2.276 1.00 0.00 C ATOM 775 C ASN A 50 8.803 12.453 -2.340 1.00 0.00 C ATOM 776 O ASN A 50 9.843 11.878 -2.017 1.00 0.00 O ATOM 777 CB ASN A 50 9.811 14.624 -3.069 1.00 0.00 C ATOM 778 CG ASN A 50 9.998 16.086 -2.715 1.00 0.00 C ATOM 779 OD1 ASN A 50 10.771 16.347 -1.667 1.00 0.00 O flip ATOM 780 ND2 ASN A 50 9.454 16.971 -3.376 1.00 0.00 N flip ATOM 0 H ASN A 50 9.576 14.854 -0.599 1.00 0.00 H new ATOM 0 HA ASN A 50 7.722 14.258 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.739 14.085 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.603 14.535 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.868 16.725 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.589 17.951 -3.126 1.00 0.00 H new ATOM 787 N PRO A 51 7.720 11.786 -2.766 1.00 0.00 N ATOM 788 CA PRO A 51 7.686 10.325 -2.883 1.00 0.00 C ATOM 789 C PRO A 51 8.568 9.814 -4.016 1.00 0.00 C ATOM 790 O PRO A 51 8.539 10.344 -5.128 1.00 0.00 O ATOM 791 CB PRO A 51 6.213 10.028 -3.176 1.00 0.00 C ATOM 792 CG PRO A 51 5.693 11.273 -3.806 1.00 0.00 C ATOM 793 CD PRO A 51 6.447 12.407 -3.167 1.00 0.00 C ATOM 0 HA PRO A 51 8.064 9.835 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.107 9.173 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.668 9.789 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.849 11.259 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.620 11.375 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.603 13.230 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.911 12.814 -2.310 1.00 0.00 H new ATOM 801 N LEU A 52 9.352 8.780 -3.729 1.00 0.00 N ATOM 802 CA LEU A 52 10.244 8.196 -4.725 1.00 0.00 C ATOM 803 C LEU A 52 9.450 7.472 -5.808 1.00 0.00 C ATOM 804 O LEU A 52 9.642 7.715 -6.999 1.00 0.00 O ATOM 805 CB LEU A 52 11.220 7.226 -4.058 1.00 0.00 C ATOM 806 CG LEU A 52 12.116 7.818 -2.969 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.866 6.716 -2.237 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.089 8.823 -3.567 1.00 0.00 C ATOM 0 H LEU A 52 9.388 8.329 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 52 10.807 9.004 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.647 6.407 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.857 6.795 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 52 11.485 8.339 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.498 7.156 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.152 6.035 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.486 6.166 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.718 9.234 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.715 8.327 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.532 9.630 -4.044 1.00 0.00 H new ATOM 820 N ASP A 53 8.557 6.583 -5.386 1.00 0.00 N ATOM 821 CA ASP A 53 7.732 5.826 -6.319 1.00 0.00 C ATOM 822 C ASP A 53 6.375 5.499 -5.703 1.00 0.00 C ATOM 823 O ASP A 53 6.231 5.460 -4.481 1.00 0.00 O ATOM 824 CB ASP A 53 8.443 4.536 -6.731 1.00 0.00 C ATOM 825 CG ASP A 53 7.504 3.541 -7.386 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.869 2.755 -6.652 1.00 0.00 O ATOM 827 OD2 ASP A 53 7.406 3.548 -8.631 1.00 0.00 O ATOM 0 H ASP A 53 8.386 6.369 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 53 7.570 6.441 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.253 4.775 -7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.897 4.078 -5.852 1.00 0.00 H new ATOM 832 N SER A 54 5.384 5.265 -6.557 1.00 0.00 N ATOM 833 CA SER A 54 4.037 4.946 -6.096 1.00 0.00 C ATOM 834 C SER A 54 3.492 3.719 -6.819 1.00 0.00 C ATOM 835 O SER A 54 4.017 3.312 -7.856 1.00 0.00 O ATOM 836 CB SER A 54 3.104 6.139 -6.317 1.00 0.00 C ATOM 837 OG SER A 54 1.746 5.752 -6.201 1.00 0.00 O ATOM 0 H SER A 54 5.488 5.290 -7.571 1.00 0.00 H new ATOM 0 HA SER A 54 4.087 4.725 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.327 6.919 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.281 6.565 -7.304 1.00 0.00 H new ATOM 0 HG SER A 54 1.597 5.342 -5.324 1.00 0.00 H new ATOM 843 N ILE A 55 2.436 3.134 -6.265 1.00 0.00 N ATOM 844 CA ILE A 55 1.819 1.953 -6.857 1.00 0.00 C ATOM 845 C ILE A 55 0.320 2.155 -7.048 1.00 0.00 C ATOM 846 O ILE A 55 -0.396 2.499 -6.108 1.00 0.00 O ATOM 847 CB ILE A 55 2.050 0.702 -5.989 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.547 0.409 -5.866 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.318 -0.494 -6.579 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.262 1.317 -4.890 1.00 0.00 C ATOM 0 H ILE A 55 1.989 3.458 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 55 2.291 1.803 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 55 1.653 0.891 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.682 -0.626 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.010 0.508 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.491 -1.371 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.249 -0.283 -6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.689 -0.687 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.319 1.052 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.158 2.353 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.825 1.201 -3.898 1.00 0.00 H new ATOM 862 N ASP A 56 -0.149 1.936 -8.272 1.00 0.00 N ATOM 863 CA ASP A 56 -1.565 2.090 -8.587 1.00 0.00 C ATOM 864 C ASP A 56 -2.396 1.017 -7.893 1.00 0.00 C ATOM 865 O ASP A 56 -2.417 -0.139 -8.318 1.00 0.00 O ATOM 866 CB ASP A 56 -1.782 2.024 -10.100 1.00 0.00 C ATOM 867 CG ASP A 56 -3.243 1.850 -10.467 1.00 0.00 C ATOM 868 OD1 ASP A 56 -3.790 0.754 -10.224 1.00 0.00 O ATOM 869 OD2 ASP A 56 -3.839 2.811 -10.998 1.00 0.00 O ATOM 0 H ASP A 56 0.430 1.651 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.889 3.065 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.401 2.936 -10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.206 1.195 -10.511 1.00 0.00 H new ATOM 874 N LEU A 57 -3.080 1.405 -6.823 1.00 0.00 N ATOM 875 CA LEU A 57 -3.914 0.476 -6.068 1.00 0.00 C ATOM 876 C LEU A 57 -5.288 0.330 -6.713 1.00 0.00 C ATOM 877 O LEU A 57 -5.941 -0.705 -6.579 1.00 0.00 O ATOM 878 CB LEU A 57 -4.064 0.953 -4.623 1.00 0.00 C ATOM 879 CG LEU A 57 -2.770 1.335 -3.904 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.072 1.900 -2.525 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.843 0.133 -3.799 1.00 0.00 C ATOM 0 H LEU A 57 -3.074 2.357 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.426 -0.498 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.729 1.816 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.555 0.166 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.267 2.106 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.139 2.166 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.696 2.788 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.598 1.151 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.927 0.424 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.338 -0.660 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.599 -0.227 -4.799 1.00 0.00 H new ATOM 893 N SER A 58 -5.720 1.372 -7.416 1.00 0.00 N ATOM 894 CA SER A 58 -7.018 1.360 -8.081 1.00 0.00 C ATOM 895 C SER A 58 -7.285 0.005 -8.728 1.00 0.00 C ATOM 896 O SER A 58 -8.425 -0.456 -8.783 1.00 0.00 O ATOM 897 CB SER A 58 -7.082 2.464 -9.139 1.00 0.00 C ATOM 898 OG SER A 58 -6.110 2.261 -10.149 1.00 0.00 O ATOM 0 H SER A 58 -5.191 2.235 -7.540 1.00 0.00 H new ATOM 0 HA SER A 58 -7.786 1.541 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.076 2.486 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.923 3.434 -8.667 1.00 0.00 H new ATOM 0 HG SER A 58 -5.449 2.984 -10.117 1.00 0.00 H new ATOM 904 N SER A 59 -6.224 -0.629 -9.218 1.00 0.00 N ATOM 905 CA SER A 59 -6.343 -1.931 -9.865 1.00 0.00 C ATOM 906 C SER A 59 -5.283 -2.896 -9.342 1.00 0.00 C ATOM 907 O SER A 59 -4.703 -3.669 -10.103 1.00 0.00 O ATOM 908 CB SER A 59 -6.210 -1.784 -11.382 1.00 0.00 C ATOM 909 OG SER A 59 -7.453 -1.443 -11.971 1.00 0.00 O ATOM 0 H SER A 59 -5.273 -0.262 -9.179 1.00 0.00 H new ATOM 0 HA SER A 59 -7.327 -2.337 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.471 -1.016 -11.613 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.844 -2.717 -11.811 1.00 0.00 H new ATOM 0 HG SER A 59 -7.342 -1.353 -12.941 1.00 0.00 H new ATOM 915 N ALA A 60 -5.037 -2.844 -8.037 1.00 0.00 N ATOM 916 CA ALA A 60 -4.050 -3.715 -7.411 1.00 0.00 C ATOM 917 C ALA A 60 -4.715 -4.703 -6.458 1.00 0.00 C ATOM 918 O ALA A 60 -5.626 -4.344 -5.712 1.00 0.00 O ATOM 919 CB ALA A 60 -3.009 -2.886 -6.673 1.00 0.00 C ATOM 0 H ALA A 60 -5.508 -2.208 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.555 -4.286 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.278 -3.549 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.505 -2.225 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.498 -2.290 -5.902 1.00 0.00 H new ATOM 925 N VAL A 61 -4.253 -5.949 -6.488 1.00 0.00 N ATOM 926 CA VAL A 61 -4.803 -6.989 -5.627 1.00 0.00 C ATOM 927 C VAL A 61 -3.791 -7.420 -4.571 1.00 0.00 C ATOM 928 O VAL A 61 -2.719 -7.931 -4.896 1.00 0.00 O ATOM 929 CB VAL A 61 -5.235 -8.222 -6.442 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.349 -8.391 -7.667 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.203 -9.471 -5.575 1.00 0.00 C ATOM 0 H VAL A 61 -3.499 -6.263 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.678 -6.563 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.259 -8.069 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.670 -9.267 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.428 -7.506 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.314 -8.521 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.511 -10.333 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.191 -9.630 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.884 -9.347 -4.733 1.00 0.00 H new ATOM 941 N PHE A 62 -4.139 -7.211 -3.306 1.00 0.00 N ATOM 942 CA PHE A 62 -3.260 -7.578 -2.201 1.00 0.00 C ATOM 943 C PHE A 62 -3.475 -9.033 -1.796 1.00 0.00 C ATOM 944 O PHE A 62 -4.610 -9.480 -1.625 1.00 0.00 O ATOM 945 CB PHE A 62 -3.505 -6.661 -1.001 1.00 0.00 C ATOM 946 CG PHE A 62 -3.980 -5.288 -1.383 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.105 -4.365 -1.931 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.303 -4.921 -1.193 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.540 -3.101 -2.284 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.743 -3.659 -1.544 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.860 -2.748 -2.089 1.00 0.00 C ATOM 0 H PHE A 62 -5.023 -6.790 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.229 -7.461 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.243 -7.123 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.582 -6.571 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.071 -4.636 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.998 -5.629 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.848 -2.391 -2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.777 -3.385 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.202 -1.761 -2.362 1.00 0.00 H new ATOM 961 N ASP A 63 -2.378 -9.767 -1.644 1.00 0.00 N ATOM 962 CA ASP A 63 -2.445 -11.172 -1.258 1.00 0.00 C ATOM 963 C ASP A 63 -1.456 -11.475 -0.136 1.00 0.00 C ATOM 964 O ASP A 63 -0.651 -10.623 0.241 1.00 0.00 O ATOM 965 CB ASP A 63 -2.159 -12.068 -2.463 1.00 0.00 C ATOM 966 CG ASP A 63 -2.694 -13.475 -2.279 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.931 -13.636 -2.224 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.876 -14.414 -2.190 1.00 0.00 O ATOM 0 H ASP A 63 -1.432 -9.412 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.452 -11.376 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.605 -11.627 -3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.083 -12.111 -2.633 1.00 0.00 H new ATOM 973 N CYS A 64 -1.524 -12.692 0.392 1.00 0.00 N ATOM 974 CA CYS A 64 -0.636 -13.107 1.472 1.00 0.00 C ATOM 975 C CYS A 64 0.118 -14.378 1.098 1.00 0.00 C ATOM 976 O CYS A 64 -0.475 -15.352 0.633 1.00 0.00 O ATOM 977 CB CYS A 64 -1.433 -13.332 2.758 1.00 0.00 C ATOM 978 SG CYS A 64 -2.612 -14.700 2.665 1.00 0.00 S ATOM 0 H CYS A 64 -2.184 -13.408 0.090 1.00 0.00 H new ATOM 0 HA CYS A 64 0.090 -12.311 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.737 -13.521 3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.973 -12.417 3.003 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.238 -15.533 1.740 1.00 0.00 H new ATOM 984 N LYS A 65 1.431 -14.362 1.301 1.00 0.00 N ATOM 985 CA LYS A 65 2.269 -15.513 0.985 1.00 0.00 C ATOM 986 C LYS A 65 2.003 -16.662 1.953 1.00 0.00 C ATOM 987 O LYS A 65 1.235 -16.520 2.903 1.00 0.00 O ATOM 988 CB LYS A 65 3.748 -15.123 1.033 1.00 0.00 C ATOM 989 CG LYS A 65 4.256 -14.505 -0.258 1.00 0.00 C ATOM 990 CD LYS A 65 5.676 -14.949 -0.567 1.00 0.00 C ATOM 991 CE LYS A 65 6.700 -13.984 0.011 1.00 0.00 C ATOM 992 NZ LYS A 65 6.637 -12.650 -0.646 1.00 0.00 N ATOM 0 H LYS A 65 1.938 -13.564 1.683 1.00 0.00 H new ATOM 0 HA LYS A 65 2.021 -15.845 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.903 -14.417 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.341 -16.009 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.599 -14.786 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.222 -13.418 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.843 -15.946 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.810 -15.019 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.528 -13.870 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.700 -14.401 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.543 -12.156 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.452 -12.772 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.872 -12.089 -0.220 1.00 0.00 H new ATOM 1006 N ALA A 66 2.645 -17.799 1.705 1.00 0.00 N ATOM 1007 CA ALA A 66 2.481 -18.970 2.556 1.00 0.00 C ATOM 1008 C ALA A 66 3.165 -18.769 3.904 1.00 0.00 C ATOM 1009 O ALA A 66 2.688 -19.253 4.931 1.00 0.00 O ATOM 1010 CB ALA A 66 3.030 -20.208 1.863 1.00 0.00 C ATOM 0 H ALA A 66 3.284 -17.933 0.921 1.00 0.00 H new ATOM 0 HA ALA A 66 1.415 -19.111 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.901 -21.075 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.493 -20.370 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.090 -20.067 1.653 1.00 0.00 H new ATOM 1016 N ASP A 67 4.284 -18.053 3.894 1.00 0.00 N ATOM 1017 CA ASP A 67 5.033 -17.788 5.116 1.00 0.00 C ATOM 1018 C ASP A 67 4.484 -16.559 5.834 1.00 0.00 C ATOM 1019 O ASP A 67 5.239 -15.770 6.401 1.00 0.00 O ATOM 1020 CB ASP A 67 6.516 -17.587 4.797 1.00 0.00 C ATOM 1021 CG ASP A 67 7.235 -18.897 4.543 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.180 -19.392 3.397 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.854 -19.427 5.489 1.00 0.00 O ATOM 0 H ASP A 67 4.692 -17.646 3.053 1.00 0.00 H new ATOM 0 HA ASP A 67 4.924 -18.650 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.613 -16.947 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.996 -17.067 5.626 1.00 0.00 H new ATOM 1028 N ALA A 68 3.164 -16.404 5.806 1.00 0.00 N ATOM 1029 CA ALA A 68 2.514 -15.273 6.455 1.00 0.00 C ATOM 1030 C ALA A 68 2.755 -15.290 7.961 1.00 0.00 C ATOM 1031 O ALA A 68 2.557 -14.285 8.641 1.00 0.00 O ATOM 1032 CB ALA A 68 1.022 -15.280 6.158 1.00 0.00 C ATOM 0 H ALA A 68 2.524 -17.048 5.341 1.00 0.00 H new ATOM 0 HA ALA A 68 2.949 -14.358 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.549 -14.430 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.865 -15.211 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.581 -16.205 6.530 1.00 0.00 H new ATOM 1038 N GLU A 69 3.183 -16.440 8.473 1.00 0.00 N ATOM 1039 CA GLU A 69 3.449 -16.587 9.899 1.00 0.00 C ATOM 1040 C GLU A 69 4.218 -15.384 10.437 1.00 0.00 C ATOM 1041 O GLU A 69 4.129 -15.055 11.619 1.00 0.00 O ATOM 1042 CB GLU A 69 4.240 -17.871 10.163 1.00 0.00 C ATOM 1043 CG GLU A 69 5.604 -17.894 9.495 1.00 0.00 C ATOM 1044 CD GLU A 69 6.348 -19.194 9.731 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.817 -20.258 9.349 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.459 -19.147 10.298 1.00 0.00 O ATOM 0 H GLU A 69 3.353 -17.282 7.922 1.00 0.00 H new ATOM 0 HA GLU A 69 2.491 -16.645 10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.369 -17.993 11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.659 -18.724 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.482 -17.739 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.202 -17.064 9.871 1.00 0.00 H new ATOM 1053 N GLU A 70 4.974 -14.732 9.558 1.00 0.00 N ATOM 1054 CA GLU A 70 5.760 -13.566 9.945 1.00 0.00 C ATOM 1055 C GLU A 70 5.028 -12.275 9.591 1.00 0.00 C ATOM 1056 O GLU A 70 5.148 -11.269 10.290 1.00 0.00 O ATOM 1057 CB GLU A 70 7.127 -13.595 9.258 1.00 0.00 C ATOM 1058 CG GLU A 70 7.809 -12.238 9.203 1.00 0.00 C ATOM 1059 CD GLU A 70 9.314 -12.347 9.050 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.769 -13.162 8.221 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.036 -11.615 9.759 1.00 0.00 O ATOM 0 H GLU A 70 5.058 -14.991 8.575 1.00 0.00 H new ATOM 0 HA GLU A 70 5.903 -13.598 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.774 -14.296 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.006 -13.973 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.403 -11.665 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.579 -11.683 10.113 1.00 0.00 H new ATOM 1068 N GLY A 71 4.269 -12.312 8.500 1.00 0.00 N ATOM 1069 CA GLY A 71 3.529 -11.139 8.072 1.00 0.00 C ATOM 1070 C GLY A 71 4.000 -10.615 6.729 1.00 0.00 C ATOM 1071 O GLY A 71 4.424 -9.464 6.619 1.00 0.00 O ATOM 0 H GLY A 71 4.153 -13.133 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.469 -11.384 8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.632 -10.354 8.821 1.00 0.00 H new ATOM 1075 N ILE A 72 3.926 -11.460 5.707 1.00 0.00 N ATOM 1076 CA ILE A 72 4.349 -11.076 4.366 1.00 0.00 C ATOM 1077 C ILE A 72 3.178 -11.110 3.390 1.00 0.00 C ATOM 1078 O ILE A 72 2.341 -12.012 3.439 1.00 0.00 O ATOM 1079 CB ILE A 72 5.467 -11.996 3.842 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.596 -12.099 4.870 1.00 0.00 C ATOM 1081 CG2 ILE A 72 5.998 -11.481 2.513 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.264 -12.992 6.045 1.00 0.00 C ATOM 0 H ILE A 72 3.577 -12.416 5.782 1.00 0.00 H new ATOM 0 HA ILE A 72 4.732 -10.058 4.436 1.00 0.00 H new ATOM 0 HB ILE A 72 5.053 -12.992 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.491 -12.478 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.833 -11.101 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.788 -12.142 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.189 -11.455 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.399 -10.476 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.109 -13.018 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.387 -12.602 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.056 -14.001 5.688 1.00 0.00 H new ATOM 1094 N PHE A 73 3.126 -10.123 2.501 1.00 0.00 N ATOM 1095 CA PHE A 73 2.059 -10.041 1.511 1.00 0.00 C ATOM 1096 C PHE A 73 2.619 -9.699 0.134 1.00 0.00 C ATOM 1097 O PHE A 73 3.827 -9.531 -0.032 1.00 0.00 O ATOM 1098 CB PHE A 73 1.027 -8.991 1.929 1.00 0.00 C ATOM 1099 CG PHE A 73 1.632 -7.663 2.283 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.454 -7.535 3.392 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.381 -6.543 1.508 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.012 -6.314 3.720 1.00 0.00 C ATOM 1103 CE2 PHE A 73 1.936 -5.319 1.831 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.753 -5.205 2.938 1.00 0.00 C ATOM 0 H PHE A 73 3.811 -9.369 2.446 1.00 0.00 H new ATOM 0 HA PHE A 73 1.574 -11.016 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.314 -8.851 1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.466 -9.365 2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.661 -8.399 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.744 -6.627 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.650 -6.227 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.731 -4.453 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.189 -4.250 3.192 1.00 0.00 H new ATOM 1114 N GLU A 74 1.732 -9.598 -0.851 1.00 0.00 N ATOM 1115 CA GLU A 74 2.139 -9.278 -2.215 1.00 0.00 C ATOM 1116 C GLU A 74 1.036 -8.517 -2.946 1.00 0.00 C ATOM 1117 O GLU A 74 -0.135 -8.893 -2.888 1.00 0.00 O ATOM 1118 CB GLU A 74 2.487 -10.556 -2.980 1.00 0.00 C ATOM 1119 CG GLU A 74 3.942 -10.970 -2.844 1.00 0.00 C ATOM 1120 CD GLU A 74 4.144 -12.462 -3.031 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.218 -13.231 -2.698 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.226 -12.859 -3.510 1.00 0.00 O ATOM 0 H GLU A 74 0.728 -9.733 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 74 3.023 -8.643 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.852 -11.367 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.256 -10.412 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.539 -10.431 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.309 -10.678 -1.860 1.00 0.00 H new ATOM 1129 N ILE A 75 1.420 -7.447 -3.633 1.00 0.00 N ATOM 1130 CA ILE A 75 0.466 -6.634 -4.377 1.00 0.00 C ATOM 1131 C ILE A 75 0.579 -6.886 -5.876 1.00 0.00 C ATOM 1132 O ILE A 75 1.493 -6.388 -6.534 1.00 0.00 O ATOM 1133 CB ILE A 75 0.672 -5.132 -4.103 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.713 -4.867 -2.597 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.432 -4.318 -4.761 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.787 -3.398 -2.244 1.00 0.00 C ATOM 0 H ILE A 75 2.385 -7.123 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.528 -6.924 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 75 1.626 -4.826 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.175 -5.299 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.575 -5.379 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.273 -3.259 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.417 -4.488 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.398 -4.623 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.813 -3.285 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.689 -2.965 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.088 -2.884 -2.642 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.357 -7.662 -6.412 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.366 -7.980 -7.835 1.00 0.00 C ATOM 1150 C LYS A 76 -0.998 -6.849 -8.641 1.00 0.00 C ATOM 1151 O LYS A 76 -2.164 -6.508 -8.443 1.00 0.00 O ATOM 1152 CB LYS A 76 -1.127 -9.284 -8.083 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.242 -10.518 -8.059 1.00 0.00 C ATOM 1154 CD LYS A 76 0.124 -10.914 -6.638 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.880 -11.897 -6.057 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.953 -13.153 -6.855 1.00 0.00 N ATOM 0 H LYS A 76 -1.120 -8.083 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 76 0.667 -8.102 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.905 -9.390 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.628 -9.225 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.757 -11.346 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.667 -10.326 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.119 -11.360 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.168 -10.024 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.603 -12.135 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.865 -11.432 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.286 -13.930 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.614 -13.023 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.009 -13.384 -7.226 1.00 0.00 H new ATOM 1170 N THR A 77 -0.221 -6.271 -9.552 1.00 0.00 N ATOM 1171 CA THR A 77 -0.704 -5.180 -10.388 1.00 0.00 C ATOM 1172 C THR A 77 -0.413 -5.444 -11.860 1.00 0.00 C ATOM 1173 O THR A 77 0.548 -6.127 -12.215 1.00 0.00 O ATOM 1174 CB THR A 77 -0.067 -3.837 -9.983 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.311 -3.813 -10.370 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.182 -3.614 -8.482 1.00 0.00 C ATOM 0 H THR A 77 0.746 -6.541 -9.729 1.00 0.00 H new ATOM 0 HA THR A 77 -1.782 -5.122 -10.239 1.00 0.00 H new ATOM 0 HB THR A 77 -0.602 -3.037 -10.495 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.864 -4.146 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.275 -2.660 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.234 -3.604 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.330 -4.418 -7.954 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.260 -4.891 -12.741 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.113 -5.052 -14.190 1.00 0.00 C ATOM 1186 C PRO A 78 0.098 -4.304 -14.737 1.00 0.00 C ATOM 1187 O PRO A 78 0.336 -4.286 -15.944 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.407 -4.454 -14.747 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.853 -3.483 -13.709 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.427 -4.064 -12.389 1.00 0.00 C ATOM 0 HA PRO A 78 -0.954 -6.093 -14.470 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.235 -3.960 -15.703 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.158 -5.225 -14.917 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.400 -2.505 -13.869 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.933 -3.343 -13.744 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.166 -3.285 -11.673 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.220 -4.660 -11.937 1.00 0.00 H new ATOM 1198 N SER A 79 0.861 -3.687 -13.840 1.00 0.00 N ATOM 1199 CA SER A 79 2.047 -2.934 -14.233 1.00 0.00 C ATOM 1200 C SER A 79 3.314 -3.607 -13.715 1.00 0.00 C ATOM 1201 O SER A 79 4.266 -3.824 -14.465 1.00 0.00 O ATOM 1202 CB SER A 79 1.965 -1.500 -13.705 1.00 0.00 C ATOM 1203 OG SER A 79 0.920 -0.783 -14.339 1.00 0.00 O ATOM 0 H SER A 79 0.679 -3.694 -12.836 1.00 0.00 H new ATOM 0 HA SER A 79 2.088 -2.911 -15.322 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.799 -1.515 -12.628 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.914 -0.992 -13.874 1.00 0.00 H new ATOM 0 HG SER A 79 0.887 0.130 -13.983 1.00 0.00 H new ATOM 1209 N ARG A 80 3.319 -3.935 -12.427 1.00 0.00 N ATOM 1210 CA ARG A 80 4.469 -4.582 -11.807 1.00 0.00 C ATOM 1211 C ARG A 80 4.101 -5.152 -10.441 1.00 0.00 C ATOM 1212 O ARG A 80 3.540 -4.454 -9.596 1.00 0.00 O ATOM 1213 CB ARG A 80 5.623 -3.588 -11.663 1.00 0.00 C ATOM 1214 CG ARG A 80 5.422 -2.578 -10.546 1.00 0.00 C ATOM 1215 CD ARG A 80 6.617 -1.647 -10.414 1.00 0.00 C ATOM 1216 NE ARG A 80 6.768 -0.782 -11.581 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.628 0.229 -11.640 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.410 0.500 -10.605 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.707 0.970 -12.738 1.00 0.00 N ATOM 0 H ARG A 80 2.539 -3.763 -11.792 1.00 0.00 H new ATOM 0 HA ARG A 80 4.784 -5.403 -12.451 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.545 -4.139 -11.481 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.751 -3.054 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.523 -1.993 -10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.263 -3.103 -9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.502 -1.033 -9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.524 -2.237 -10.281 1.00 0.00 H new ATOM 0 HE ARG A 80 6.181 -0.964 -12.395 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.353 -0.068 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.069 1.277 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.107 0.763 -13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.367 1.746 -12.783 1.00 0.00 H new ATOM 1233 N VAL A 81 4.420 -6.425 -10.231 1.00 0.00 N ATOM 1234 CA VAL A 81 4.123 -7.090 -8.968 1.00 0.00 C ATOM 1235 C VAL A 81 5.072 -6.627 -7.868 1.00 0.00 C ATOM 1236 O VAL A 81 6.292 -6.656 -8.034 1.00 0.00 O ATOM 1237 CB VAL A 81 4.219 -8.621 -9.103 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.818 -9.298 -7.801 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.355 -9.109 -10.255 1.00 0.00 C ATOM 0 H VAL A 81 4.884 -7.017 -10.920 1.00 0.00 H new ATOM 0 HA VAL A 81 3.101 -6.820 -8.701 1.00 0.00 H new ATOM 0 HB VAL A 81 5.254 -8.885 -9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.892 -10.379 -7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.483 -8.971 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.791 -9.029 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.435 -10.193 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.316 -8.834 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.694 -8.650 -11.184 1.00 0.00 H new ATOM 1249 N ILE A 82 4.504 -6.201 -6.744 1.00 0.00 N ATOM 1250 CA ILE A 82 5.300 -5.734 -5.616 1.00 0.00 C ATOM 1251 C ILE A 82 5.224 -6.711 -4.448 1.00 0.00 C ATOM 1252 O ILE A 82 4.239 -7.433 -4.290 1.00 0.00 O ATOM 1253 CB ILE A 82 4.839 -4.344 -5.140 1.00 0.00 C ATOM 1254 CG1 ILE A 82 4.863 -3.349 -6.302 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.720 -3.856 -3.999 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.248 -3.099 -6.855 1.00 0.00 C ATOM 0 H ILE A 82 3.496 -6.170 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 82 6.331 -5.667 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 82 3.815 -4.422 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.223 -3.722 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.438 -2.403 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.382 -2.872 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.657 -4.556 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.753 -3.790 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.189 -2.384 -7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.887 -2.697 -6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.669 -4.036 -7.220 1.00 0.00 H new ATOM 1268 N THR A 83 6.270 -6.727 -3.627 1.00 0.00 N ATOM 1269 CA THR A 83 6.322 -7.614 -2.472 1.00 0.00 C ATOM 1270 C THR A 83 6.713 -6.852 -1.211 1.00 0.00 C ATOM 1271 O THR A 83 7.881 -6.515 -1.014 1.00 0.00 O ATOM 1272 CB THR A 83 7.321 -8.766 -2.693 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.090 -9.377 -3.967 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.194 -9.810 -1.594 1.00 0.00 C ATOM 0 H THR A 83 7.093 -6.135 -3.741 1.00 0.00 H new ATOM 0 HA THR A 83 5.322 -8.029 -2.347 1.00 0.00 H new ATOM 0 HB THR A 83 8.330 -8.353 -2.666 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.730 -10.107 -4.101 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.909 -10.613 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.399 -9.348 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.183 -10.217 -1.594 1.00 0.00 H new ATOM 1282 N LEU A 84 5.730 -6.583 -0.359 1.00 0.00 N ATOM 1283 CA LEU A 84 5.971 -5.861 0.885 1.00 0.00 C ATOM 1284 C LEU A 84 5.567 -6.703 2.091 1.00 0.00 C ATOM 1285 O LEU A 84 4.612 -7.477 2.029 1.00 0.00 O ATOM 1286 CB LEU A 84 5.199 -4.540 0.889 1.00 0.00 C ATOM 1287 CG LEU A 84 5.314 -3.692 -0.378 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.462 -2.438 -0.259 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.766 -3.328 -0.647 1.00 0.00 C ATOM 0 H LEU A 84 4.758 -6.854 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 84 7.038 -5.651 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.145 -4.759 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.543 -3.944 1.734 1.00 0.00 H new ATOM 0 HG LEU A 84 4.946 -4.279 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.556 -1.846 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.419 -2.719 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.800 -1.848 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.828 -2.725 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.161 -2.760 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.351 -4.238 -0.777 1.00 0.00 H new ATOM 1301 N LYS A 85 6.300 -6.545 3.188 1.00 0.00 N ATOM 1302 CA LYS A 85 6.017 -7.288 4.411 1.00 0.00 C ATOM 1303 C LYS A 85 5.777 -6.338 5.581 1.00 0.00 C ATOM 1304 O LYS A 85 6.307 -5.228 5.610 1.00 0.00 O ATOM 1305 CB LYS A 85 7.175 -8.233 4.737 1.00 0.00 C ATOM 1306 CG LYS A 85 8.464 -7.515 5.095 1.00 0.00 C ATOM 1307 CD LYS A 85 9.627 -8.486 5.219 1.00 0.00 C ATOM 1308 CE LYS A 85 9.714 -9.076 6.618 1.00 0.00 C ATOM 1309 NZ LYS A 85 10.916 -9.939 6.782 1.00 0.00 N ATOM 0 H LYS A 85 7.095 -5.909 3.255 1.00 0.00 H new ATOM 0 HA LYS A 85 5.112 -7.874 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.885 -8.877 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.356 -8.881 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.691 -6.770 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.334 -6.979 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.511 -9.289 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.558 -7.972 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.743 -8.270 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.817 -9.660 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.939 -10.322 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.876 -10.723 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.774 -9.376 6.612 1.00 0.00 H new ATOM 1323 N ALA A 86 4.976 -6.784 6.543 1.00 0.00 N ATOM 1324 CA ALA A 86 4.669 -5.975 7.717 1.00 0.00 C ATOM 1325 C ALA A 86 5.408 -6.491 8.947 1.00 0.00 C ATOM 1326 O ALA A 86 6.029 -7.552 8.910 1.00 0.00 O ATOM 1327 CB ALA A 86 3.169 -5.958 7.968 1.00 0.00 C ATOM 0 H ALA A 86 4.528 -7.700 6.533 1.00 0.00 H new ATOM 0 HA ALA A 86 5.005 -4.956 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.954 -5.351 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.660 -5.536 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.817 -6.976 8.135 1.00 0.00 H new ATOM 1333 N ALA A 87 5.337 -5.732 10.036 1.00 0.00 N ATOM 1334 CA ALA A 87 5.998 -6.113 11.277 1.00 0.00 C ATOM 1335 C ALA A 87 5.634 -7.539 11.677 1.00 0.00 C ATOM 1336 O ALA A 87 6.458 -8.450 11.585 1.00 0.00 O ATOM 1337 CB ALA A 87 5.632 -5.141 12.390 1.00 0.00 C ATOM 0 H ALA A 87 4.828 -4.849 10.083 1.00 0.00 H new ATOM 0 HA ALA A 87 7.075 -6.073 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.133 -5.438 13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.948 -4.135 12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.553 -5.153 12.543 1.00 0.00 H new ATOM 1343 N THR A 88 4.396 -7.726 12.123 1.00 0.00 N ATOM 1344 CA THR A 88 3.924 -9.041 12.539 1.00 0.00 C ATOM 1345 C THR A 88 2.825 -9.549 11.613 1.00 0.00 C ATOM 1346 O THR A 88 2.475 -8.895 10.631 1.00 0.00 O ATOM 1347 CB THR A 88 3.391 -9.015 13.984 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.369 -8.020 14.112 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.514 -8.726 14.970 1.00 0.00 C ATOM 0 H THR A 88 3.702 -6.983 12.205 1.00 0.00 H new ATOM 0 HA THR A 88 4.779 -9.715 12.487 1.00 0.00 H new ATOM 0 HB THR A 88 2.973 -9.996 14.211 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.034 -8.011 15.033 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.114 -8.713 15.984 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.276 -9.501 14.891 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.958 -7.757 14.742 1.00 0.00 H new ATOM 1357 N LYS A 89 2.283 -10.719 11.933 1.00 0.00 N ATOM 1358 CA LYS A 89 1.221 -11.315 11.131 1.00 0.00 C ATOM 1359 C LYS A 89 -0.020 -10.427 11.124 1.00 0.00 C ATOM 1360 O LYS A 89 -0.678 -10.275 10.096 1.00 0.00 O ATOM 1361 CB LYS A 89 0.865 -12.703 11.669 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.367 -13.309 11.020 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.017 -14.046 9.738 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.215 -14.802 9.185 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.363 -16.144 9.814 1.00 0.00 N ATOM 0 H LYS A 89 2.562 -11.274 12.742 1.00 0.00 H new ATOM 0 HA LYS A 89 1.583 -11.411 10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.712 -13.371 11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.703 -12.636 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.845 -13.997 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.089 -12.522 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.340 -13.334 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.798 -14.744 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.121 -14.220 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.106 -14.916 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.191 -16.627 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.509 -16.709 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.493 -16.034 10.840 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.330 -9.844 12.278 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.492 -8.971 12.403 1.00 0.00 C ATOM 1381 C GLN A 90 -1.237 -7.626 11.730 1.00 0.00 C ATOM 1382 O GLN A 90 -2.171 -6.942 11.314 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.840 -8.759 13.877 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.801 -9.799 14.430 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.086 -10.993 15.032 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.901 -12.017 14.373 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -1.679 -10.868 16.290 1.00 0.00 N ATOM 0 H GLN A 90 0.206 -9.960 13.138 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.333 -9.453 11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.922 -8.776 14.465 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.279 -7.769 13.999 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.432 -9.337 15.189 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.460 -10.140 13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.853 -10.001 16.799 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.192 -11.639 16.747 1.00 0.00 H new ATOM 1396 N ALA A 91 0.035 -7.253 11.628 1.00 0.00 N ATOM 1397 CA ALA A 91 0.413 -5.991 11.005 1.00 0.00 C ATOM 1398 C ALA A 91 -0.068 -5.927 9.559 1.00 0.00 C ATOM 1399 O ALA A 91 -0.905 -5.095 9.210 1.00 0.00 O ATOM 1400 CB ALA A 91 1.921 -5.801 11.070 1.00 0.00 C ATOM 0 H ALA A 91 0.821 -7.807 11.969 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.068 -5.183 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.189 -4.854 10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.242 -5.794 12.112 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.414 -6.619 10.544 1.00 0.00 H new ATOM 1406 N MET A 92 0.466 -6.810 8.723 1.00 0.00 N ATOM 1407 CA MET A 92 0.090 -6.854 7.314 1.00 0.00 C ATOM 1408 C MET A 92 -1.426 -6.913 7.158 1.00 0.00 C ATOM 1409 O MET A 92 -2.005 -6.194 6.343 1.00 0.00 O ATOM 1410 CB MET A 92 0.733 -8.061 6.630 1.00 0.00 C ATOM 1411 CG MET A 92 0.424 -9.383 7.313 1.00 0.00 C ATOM 1412 SD MET A 92 -1.088 -10.148 6.697 1.00 0.00 S ATOM 1413 CE MET A 92 -0.612 -11.874 6.677 1.00 0.00 C ATOM 0 H MET A 92 1.161 -7.505 8.996 1.00 0.00 H new ATOM 0 HA MET A 92 0.451 -5.942 6.838 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.391 -8.107 5.596 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.813 -7.920 6.602 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.259 -10.068 7.165 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.332 -9.220 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.601 -12.236 5.649 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.382 -11.982 7.111 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.327 -12.455 7.259 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.064 -7.774 7.944 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.514 -7.927 7.892 1.00 0.00 C ATOM 1425 C LEU A 93 -4.205 -6.568 7.892 1.00 0.00 C ATOM 1426 O LEU A 93 -5.205 -6.368 7.201 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.001 -8.760 9.079 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.761 -10.267 8.985 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.168 -10.954 10.279 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.521 -10.855 7.805 1.00 0.00 C ATOM 0 H LEU A 93 -1.600 -8.376 8.624 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.768 -8.443 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.513 -8.390 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.071 -8.590 9.202 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.696 -10.437 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.990 -12.026 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.580 -10.553 11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.227 -10.776 10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.339 -11.928 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.588 -10.674 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.181 -10.384 6.882 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.666 -5.635 8.670 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.231 -4.294 8.760 1.00 0.00 C ATOM 1444 C TYR A 94 -4.050 -3.537 7.448 1.00 0.00 C ATOM 1445 O TYR A 94 -4.928 -2.785 7.026 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.577 -3.518 9.904 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.763 -2.021 9.804 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.025 -1.449 9.906 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.675 -1.178 9.609 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.199 -0.082 9.814 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.840 0.191 9.517 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.104 0.734 9.620 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.273 2.096 9.530 1.00 0.00 O ATOM 0 H TYR A 94 -2.838 -5.783 9.247 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.298 -4.390 8.959 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.991 -3.865 10.851 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.511 -3.743 9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.885 -2.084 10.060 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.684 -1.600 9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.187 0.346 9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.984 0.832 9.365 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.403 2.525 9.395 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.905 -3.743 6.808 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.607 -3.081 5.543 1.00 0.00 C ATOM 1465 C TRP A 95 -3.488 -3.624 4.423 1.00 0.00 C ATOM 1466 O TRP A 95 -4.201 -2.870 3.760 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.132 -3.265 5.182 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.249 -2.178 5.716 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.407 -2.169 6.914 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.071 -0.940 5.072 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.116 -1.000 7.053 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.927 -0.230 5.936 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.280 -0.364 3.848 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.435 1.026 5.614 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.224 0.883 3.530 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.075 1.567 4.409 1.00 0.00 C ATOM 0 H TRP A 95 -2.168 -4.363 7.144 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.815 -2.018 5.661 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.788 -4.225 5.568 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.033 -3.303 4.097 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.373 -2.964 7.645 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.690 -0.747 7.857 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.933 -0.884 3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.090 1.555 6.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.043 1.338 2.588 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.454 2.539 4.130 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.436 -4.935 4.219 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.231 -5.580 3.179 1.00 0.00 C ATOM 1489 C LEU A 96 -5.708 -5.229 3.327 1.00 0.00 C ATOM 1490 O LEU A 96 -6.409 -5.022 2.336 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.047 -7.097 3.235 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.607 -7.595 3.357 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.574 -9.109 3.488 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.784 -7.144 2.158 1.00 0.00 C ATOM 0 H LEU A 96 -2.852 -5.573 4.760 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.885 -5.215 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.616 -7.481 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.485 -7.529 2.335 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.169 -7.164 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.540 -9.444 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.128 -9.409 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.030 -9.560 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.761 -7.507 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.222 -7.546 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.779 -6.055 2.109 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.174 -5.162 4.570 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.567 -4.834 4.847 1.00 0.00 C ATOM 1508 C GLN A 97 -7.867 -3.383 4.487 1.00 0.00 C ATOM 1509 O GLN A 97 -8.704 -3.107 3.627 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.888 -5.084 6.321 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.249 -4.556 6.745 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.371 -5.535 6.457 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.315 -6.292 5.488 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.397 -5.524 7.300 1.00 0.00 N ATOM 0 H GLN A 97 -5.607 -5.331 5.401 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.195 -5.478 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.846 -6.155 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.119 -4.617 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.232 -4.333 7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.448 -3.618 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.401 -4.879 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.181 -6.161 7.157 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.179 -2.460 5.151 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.374 -1.036 4.901 1.00 0.00 C ATOM 1525 C GLN A 98 -7.132 -0.703 3.433 1.00 0.00 C ATOM 1526 O GLN A 98 -8.014 -0.179 2.751 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.438 -0.209 5.785 1.00 0.00 C ATOM 1528 CG GLN A 98 -7.000 0.073 7.169 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.425 0.588 7.126 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.386 -0.328 7.142 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.660 1.796 7.078 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.482 -2.672 5.865 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.407 -0.788 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.489 -0.736 5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.225 0.738 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.965 -0.840 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.368 0.805 7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.890 2.465 7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.624 2.127 7.049 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.933 -1.010 2.951 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.574 -0.743 1.563 1.00 0.00 C ATOM 1542 C LEU A 99 -6.786 -0.894 0.649 1.00 0.00 C ATOM 1543 O LEU A 99 -6.962 -0.126 -0.296 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.460 -1.690 1.112 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.037 -1.278 1.489 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.060 -2.408 1.200 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.631 -0.016 0.742 1.00 0.00 C ATOM 0 H LEU A 99 -5.192 -1.444 3.502 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.217 0.285 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.655 -2.676 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.513 -1.791 0.028 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.012 -1.067 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.052 -2.097 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.339 -3.287 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.088 -2.650 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.615 0.262 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.673 -0.199 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.313 0.794 0.999 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.619 -1.889 0.939 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.816 -2.139 0.144 1.00 0.00 C ATOM 1561 C GLN A 100 -9.838 -1.023 0.332 1.00 0.00 C ATOM 1562 O GLN A 100 -10.369 -0.484 -0.639 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.435 -3.484 0.525 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.742 -4.677 -0.114 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.355 -6.000 0.301 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.275 -6.501 -0.346 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -8.848 -6.573 1.386 1.00 0.00 N ATOM 0 H GLN A 100 -7.487 -2.534 1.718 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.525 -2.166 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.404 -3.594 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.485 -3.486 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.791 -4.583 -1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.687 -4.668 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.085 -6.122 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.221 -7.464 1.714 1.00 0.00 H new ATOM 1576 N MET A 101 -10.109 -0.682 1.588 1.00 0.00 N ATOM 1577 CA MET A 101 -11.068 0.371 1.903 1.00 0.00 C ATOM 1578 C MET A 101 -10.995 1.497 0.877 1.00 0.00 C ATOM 1579 O MET A 101 -12.008 1.888 0.296 1.00 0.00 O ATOM 1580 CB MET A 101 -10.807 0.925 3.305 1.00 0.00 C ATOM 1581 CG MET A 101 -11.459 0.111 4.411 1.00 0.00 C ATOM 1582 SD MET A 101 -10.926 -1.611 4.413 1.00 0.00 S ATOM 1583 CE MET A 101 -12.271 -2.384 3.518 1.00 0.00 C ATOM 0 H MET A 101 -9.679 -1.119 2.403 1.00 0.00 H new ATOM 0 HA MET A 101 -12.068 -0.061 1.871 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.731 0.962 3.478 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.173 1.950 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.223 0.561 5.375 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.542 0.152 4.296 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.318 -3.442 3.774 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.211 -1.903 3.788 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.104 -2.277 2.446 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.792 2.016 0.659 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.586 3.097 -0.298 1.00 0.00 C ATOM 1595 C LYS A 102 -10.113 2.712 -1.676 1.00 0.00 C ATOM 1596 O LYS A 102 -11.048 3.328 -2.188 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.100 3.450 -0.389 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.467 3.768 0.955 1.00 0.00 C ATOM 1599 CD LYS A 102 -8.002 5.069 1.529 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.335 5.411 2.853 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.055 6.497 3.573 1.00 0.00 N ATOM 0 H LYS A 102 -8.944 1.705 1.133 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.139 3.968 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.565 2.617 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.979 4.308 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.663 2.954 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.385 3.837 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.836 5.877 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.079 4.988 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.298 4.521 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.304 5.716 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.569 6.700 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.068 7.354 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.031 6.196 3.769 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.509 1.688 -2.271 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.918 1.221 -3.590 1.00 0.00 C ATOM 1617 C ARG A 103 -11.367 0.741 -3.571 1.00 0.00 C ATOM 1618 O ARG A 103 -12.235 1.330 -4.214 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.001 0.091 -4.061 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.500 -0.617 -5.310 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.897 -2.007 -5.440 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.774 -2.918 -6.171 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.841 -3.500 -5.635 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.161 -3.268 -4.370 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.590 -4.317 -6.365 1.00 0.00 N ATOM 0 H ARG A 103 -8.735 1.166 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.839 2.057 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.008 0.497 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.895 -0.638 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.587 -0.692 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.248 -0.026 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.937 -1.939 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.701 -2.411 -4.447 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.555 -3.118 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.587 -2.641 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.981 -3.716 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.347 -4.499 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.409 -4.763 -5.952 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.618 -0.333 -2.831 1.00 0.00 N ATOM 1640 CA TRP A 104 -12.961 -0.893 -2.729 1.00 0.00 C ATOM 1641 C TRP A 104 -14.009 0.213 -2.664 1.00 0.00 C ATOM 1642 O TRP A 104 -15.015 0.168 -3.371 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.070 -1.789 -1.494 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.485 -2.073 -1.090 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.272 -3.099 -1.529 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.281 -1.321 -0.167 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.509 -3.030 -0.935 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.540 -1.949 -0.094 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -15.052 -0.180 0.607 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.563 -1.472 0.720 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -16.068 0.292 1.414 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.311 -0.353 1.467 1.00 0.00 C ATOM 0 H TRP A 104 -10.910 -0.833 -2.293 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.147 -1.491 -3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.560 -2.732 -1.692 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.550 -1.314 -0.662 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -14.967 -3.854 -2.239 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.280 -3.679 -1.094 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.097 0.324 0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.522 -1.967 0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.902 1.174 2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -18.085 0.040 2.109 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.765 1.204 -1.813 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.689 2.321 -1.657 1.00 0.00 C ATOM 1665 C GLU A 105 -15.152 2.838 -3.016 1.00 0.00 C ATOM 1666 O GLU A 105 -16.350 2.984 -3.262 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.028 3.453 -0.867 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.235 3.349 0.635 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.502 4.043 1.098 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -15.956 4.975 0.402 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -16.038 3.654 2.157 1.00 0.00 O ATOM 0 H GLU A 105 -12.936 1.256 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.560 1.964 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.959 3.456 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.424 4.407 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.276 2.298 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.378 3.786 1.147 1.00 0.00 H new ATOM 1678 N PHE A 106 -14.194 3.114 -3.895 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.503 3.616 -5.229 1.00 0.00 C ATOM 1680 C PHE A 106 -15.390 2.634 -5.988 1.00 0.00 C ATOM 1681 O PHE A 106 -16.423 3.014 -6.541 1.00 0.00 O ATOM 1682 CB PHE A 106 -13.213 3.867 -6.013 1.00 0.00 C ATOM 1683 CG PHE A 106 -13.425 3.974 -7.497 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -14.026 5.095 -8.044 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -13.022 2.953 -8.343 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -14.222 5.198 -9.409 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -13.215 3.050 -9.708 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.817 4.173 -10.241 1.00 0.00 C ATOM 0 H PHE A 106 -13.198 2.999 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 106 -15.043 4.556 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.751 4.786 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.511 3.058 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -14.346 5.898 -7.397 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.552 2.072 -7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.691 6.078 -9.823 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.895 2.248 -10.357 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.971 4.249 -11.307 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.980 1.370 -6.011 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.737 0.333 -6.702 1.00 0.00 C ATOM 1700 C HIS A 107 -17.189 0.316 -6.232 1.00 0.00 C ATOM 1701 O HIS A 107 -18.089 -0.061 -6.981 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.098 -1.036 -6.468 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.742 -1.178 -7.090 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.516 -1.034 -8.442 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.538 -1.450 -6.535 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.231 -1.214 -8.693 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.616 -1.467 -7.552 1.00 0.00 N ATOM 0 H HIS A 107 -14.128 1.039 -5.559 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.721 0.556 -7.769 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.017 -1.211 -5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -15.755 -1.808 -6.868 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.229 -0.822 -9.140 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.340 -1.622 -5.487 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.764 -1.163 -9.665 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.408 0.726 -4.987 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.750 0.756 -4.417 1.00 0.00 C ATOM 1718 C ASN A 108 -19.604 1.825 -5.093 1.00 0.00 C ATOM 1719 O ASN A 108 -20.750 1.574 -5.466 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.682 1.020 -2.912 1.00 0.00 C ATOM 1721 CG ASN A 108 -17.634 0.167 -2.223 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -17.179 0.490 -1.125 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.246 -0.928 -2.866 1.00 0.00 N ATOM 0 H ASN A 108 -16.674 1.042 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.212 -0.216 -4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -18.460 2.073 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.657 0.823 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -16.544 -1.541 -2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -17.650 -1.156 -3.774 1.00 0.00 H new ATOM 1730 N SER A 109 -19.037 3.016 -5.250 1.00 0.00 N ATOM 1731 CA SER A 109 -19.746 4.124 -5.878 1.00 0.00 C ATOM 1732 C SER A 109 -20.604 3.631 -7.040 1.00 0.00 C ATOM 1733 O SER A 109 -20.311 2.618 -7.674 1.00 0.00 O ATOM 1734 CB SER A 109 -18.754 5.178 -6.374 1.00 0.00 C ATOM 1735 OG SER A 109 -17.974 4.679 -7.447 1.00 0.00 O ATOM 0 H SER A 109 -18.088 3.239 -4.951 1.00 0.00 H new ATOM 0 HA SER A 109 -20.400 4.574 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.295 6.068 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.101 5.481 -5.556 1.00 0.00 H new ATOM 0 HG SER A 109 -17.597 3.809 -7.200 1.00 0.00 H new ATOM 1741 N PRO A 110 -21.690 4.364 -7.325 1.00 0.00 N ATOM 1742 CA PRO A 110 -22.613 4.022 -8.411 1.00 0.00 C ATOM 1743 C PRO A 110 -21.991 4.230 -9.788 1.00 0.00 C ATOM 1744 O PRO A 110 -21.646 5.345 -10.177 1.00 0.00 O ATOM 1745 CB PRO A 110 -23.782 4.989 -8.201 1.00 0.00 C ATOM 1746 CG PRO A 110 -23.188 6.150 -7.481 1.00 0.00 C ATOM 1747 CD PRO A 110 -22.101 5.584 -6.610 1.00 0.00 C ATOM 0 HA PRO A 110 -22.901 2.971 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -24.219 5.294 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.578 4.527 -7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -22.785 6.880 -8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.940 6.664 -6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.272 6.282 -6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -22.466 5.359 -5.608 1.00 0.00 H new ATOM 1755 N PRO A 111 -21.844 3.131 -10.543 1.00 0.00 N ATOM 1756 CA PRO A 111 -21.264 3.168 -11.889 1.00 0.00 C ATOM 1757 C PRO A 111 -22.178 3.858 -12.896 1.00 0.00 C ATOM 1758 O PRO A 111 -23.214 4.411 -12.530 1.00 0.00 O ATOM 1759 CB PRO A 111 -21.098 1.688 -12.244 1.00 0.00 C ATOM 1760 CG PRO A 111 -22.119 0.984 -11.420 1.00 0.00 C ATOM 1761 CD PRO A 111 -22.234 1.769 -10.142 1.00 0.00 C ATOM 0 HA PRO A 111 -20.333 3.734 -11.916 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -21.260 1.516 -13.308 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -20.092 1.336 -12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -23.077 0.941 -11.939 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -21.818 -0.044 -11.220 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -23.248 1.742 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -21.577 1.374 -9.367 1.00 0.00 H new ATOM 1769 N ALA A 112 -21.787 3.820 -14.166 1.00 0.00 N ATOM 1770 CA ALA A 112 -22.573 4.439 -15.225 1.00 0.00 C ATOM 1771 C ALA A 112 -23.779 3.579 -15.589 1.00 0.00 C ATOM 1772 O ALA A 112 -23.760 2.355 -15.461 1.00 0.00 O ATOM 1773 CB ALA A 112 -21.707 4.681 -16.452 1.00 0.00 C ATOM 0 H ALA A 112 -20.931 3.367 -14.486 1.00 0.00 H new ATOM 0 HA ALA A 112 -22.940 5.397 -14.857 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -22.307 5.144 -17.235 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.881 5.342 -16.190 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -21.312 3.731 -16.811 1.00 0.00 H new ATOM 1779 N PRO A 113 -24.855 4.233 -16.051 1.00 0.00 N ATOM 1780 CA PRO A 113 -26.091 3.547 -16.442 1.00 0.00 C ATOM 1781 C PRO A 113 -25.920 2.727 -17.716 1.00 0.00 C ATOM 1782 O PRO A 113 -25.887 3.274 -18.818 1.00 0.00 O ATOM 1783 CB PRO A 113 -27.076 4.696 -16.674 1.00 0.00 C ATOM 1784 CG PRO A 113 -26.219 5.867 -17.013 1.00 0.00 C ATOM 1785 CD PRO A 113 -24.949 5.692 -16.229 1.00 0.00 C ATOM 0 HA PRO A 113 -26.418 2.833 -15.686 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -27.770 4.466 -17.483 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -27.676 4.889 -15.785 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -26.015 5.904 -18.083 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -26.714 6.802 -16.750 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -24.087 6.087 -16.767 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -24.993 6.211 -15.272 1.00 0.00 H new ATOM 1793 N SER A 114 -25.812 1.411 -17.557 1.00 0.00 N ATOM 1794 CA SER A 114 -25.641 0.516 -18.695 1.00 0.00 C ATOM 1795 C SER A 114 -26.883 -0.347 -18.898 1.00 0.00 C ATOM 1796 O SER A 114 -27.799 -0.340 -18.077 1.00 0.00 O ATOM 1797 CB SER A 114 -24.415 -0.376 -18.490 1.00 0.00 C ATOM 1798 OG SER A 114 -24.079 -1.064 -19.682 1.00 0.00 O ATOM 0 H SER A 114 -25.840 0.942 -16.652 1.00 0.00 H new ATOM 0 HA SER A 114 -25.493 1.126 -19.586 1.00 0.00 H new ATOM 0 HB2 SER A 114 -23.570 0.231 -18.167 1.00 0.00 H new ATOM 0 HB3 SER A 114 -24.614 -1.095 -17.695 1.00 0.00 H new ATOM 0 HG SER A 114 -23.291 -1.626 -19.525 1.00 0.00 H new ATOM 1804 N GLY A 115 -26.906 -1.091 -20.000 1.00 0.00 N ATOM 1805 CA GLY A 115 -28.039 -1.949 -20.293 1.00 0.00 C ATOM 1806 C GLY A 115 -28.090 -3.168 -19.394 1.00 0.00 C ATOM 1807 O GLY A 115 -28.260 -3.063 -18.179 1.00 0.00 O ATOM 0 H GLY A 115 -26.160 -1.115 -20.695 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -28.961 -1.379 -20.180 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -27.988 -2.270 -21.333 1.00 0.00 H new ATOM 1811 N PRO A 116 -27.944 -4.358 -19.995 1.00 0.00 N ATOM 1812 CA PRO A 116 -27.972 -5.626 -19.260 1.00 0.00 C ATOM 1813 C PRO A 116 -26.743 -5.810 -18.376 1.00 0.00 C ATOM 1814 O PRO A 116 -25.621 -5.518 -18.788 1.00 0.00 O ATOM 1815 CB PRO A 116 -27.996 -6.679 -20.370 1.00 0.00 C ATOM 1816 CG PRO A 116 -27.364 -6.010 -21.541 1.00 0.00 C ATOM 1817 CD PRO A 116 -27.738 -4.557 -21.440 1.00 0.00 C ATOM 0 HA PRO A 116 -28.822 -5.685 -18.580 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -27.444 -7.573 -20.079 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -29.015 -6.993 -20.596 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -26.281 -6.136 -21.525 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -27.721 -6.441 -22.476 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -26.949 -3.911 -21.826 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -28.640 -4.334 -22.009 1.00 0.00 H new ATOM 1825 N SER A 117 -26.963 -6.299 -17.159 1.00 0.00 N ATOM 1826 CA SER A 117 -25.873 -6.519 -16.216 1.00 0.00 C ATOM 1827 C SER A 117 -25.813 -7.983 -15.788 1.00 0.00 C ATOM 1828 O SER A 117 -26.550 -8.413 -14.902 1.00 0.00 O ATOM 1829 CB SER A 117 -26.044 -5.624 -14.987 1.00 0.00 C ATOM 1830 OG SER A 117 -26.113 -4.258 -15.358 1.00 0.00 O ATOM 0 H SER A 117 -27.886 -6.550 -16.804 1.00 0.00 H new ATOM 0 HA SER A 117 -24.938 -6.264 -16.714 1.00 0.00 H new ATOM 0 HB2 SER A 117 -26.951 -5.905 -14.452 1.00 0.00 H new ATOM 0 HB3 SER A 117 -25.209 -5.777 -14.303 1.00 0.00 H new ATOM 0 HG SER A 117 -26.224 -3.706 -14.556 1.00 0.00 H new ATOM 1836 N SER A 118 -24.928 -8.743 -16.426 1.00 0.00 N ATOM 1837 CA SER A 118 -24.773 -10.159 -16.115 1.00 0.00 C ATOM 1838 C SER A 118 -24.560 -10.367 -14.619 1.00 0.00 C ATOM 1839 O SER A 118 -23.721 -9.711 -14.003 1.00 0.00 O ATOM 1840 CB SER A 118 -23.596 -10.748 -16.896 1.00 0.00 C ATOM 1841 OG SER A 118 -22.364 -10.226 -16.432 1.00 0.00 O ATOM 0 H SER A 118 -24.308 -8.402 -17.161 1.00 0.00 H new ATOM 0 HA SER A 118 -25.689 -10.672 -16.408 1.00 0.00 H new ATOM 0 HB2 SER A 118 -23.596 -11.833 -16.795 1.00 0.00 H new ATOM 0 HB3 SER A 118 -23.712 -10.526 -17.957 1.00 0.00 H new ATOM 0 HG SER A 118 -22.473 -9.897 -15.515 1.00 0.00 H new ATOM 1847 N GLY A 119 -25.328 -11.286 -14.040 1.00 0.00 N ATOM 1848 CA GLY A 119 -25.209 -11.565 -12.621 1.00 0.00 C ATOM 1849 C GLY A 119 -25.130 -10.302 -11.787 1.00 0.00 C ATOM 1850 O GLY A 119 -25.850 -10.157 -10.799 1.00 0.00 O ATOM 0 H GLY A 119 -26.030 -11.842 -14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -26.065 -12.158 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -24.319 -12.169 -12.446 1.00 0.00 H new TER 1854 GLY A 119