USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 944 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 42 SER OG : rot 180:sc= -0.156 USER MOD Set 1.2: A 44 GLN : amide:sc= -3.15 X(o=-3.3,f=-3.3!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -119:sc= 0.0119 (180deg=-0.00995) USER MOD Set 2.2: A 122 ASN : amide:sc=-0.00941 K(o=0.0025,f=-3.1!) 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 -10:sc= 0.978 USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.161 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.166 K(o=0.17,f=-1.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 37 CYS SG : rot -67:sc= 0.175 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 138:sc= -0.115 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -6.61! C(o=-6.6!,f=-17!) USER MOD Single : A 54 ASN : amide:sc= -0.739 K(o=-0.74,f=-0.089) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.7!) USER MOD Single : A 60 HIS : no HD1:sc= -6.15! C(o=-6.2!,f=-4.3!) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0111) USER MOD Single : A 63 THR OG1 : rot 170:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.119 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -166:sc= -0.631 (180deg=-0.777) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 91 GLN : amide:sc= -3.18 K(o=-3.2,f=-1.9) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0.423 K(o=0.42,f=-4.1!) USER MOD Single : A 97 SER OG : rot 77:sc= 1.09 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot -130:sc= -0.812 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= 0.463 (180deg=0.211) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.430 -14.443 -22.988 1.00 0.00 N ATOM 2 CA GLY A 1 1.989 -15.536 -22.141 1.00 0.00 C ATOM 3 C GLY A 1 0.562 -15.359 -21.663 1.00 0.00 C ATOM 4 O GLY A 1 -0.374 -15.864 -22.283 1.00 0.00 O ATOM 0 H1 GLY A 1 3.411 -14.611 -23.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.817 -14.384 -23.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.378 -13.550 -22.457 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.071 -16.474 -22.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.651 -15.613 -21.278 1.00 0.00 H new ATOM 8 N SER A 2 0.394 -14.642 -20.557 1.00 0.00 N ATOM 9 CA SER A 2 -0.930 -14.405 -19.993 1.00 0.00 C ATOM 10 C SER A 2 -1.129 -12.926 -19.677 1.00 0.00 C ATOM 11 O SER A 2 -0.486 -12.379 -18.782 1.00 0.00 O ATOM 12 CB SER A 2 -1.125 -15.240 -18.725 1.00 0.00 C ATOM 13 OG SER A 2 -1.558 -16.552 -19.040 1.00 0.00 O ATOM 0 H SER A 2 1.158 -14.215 -20.033 1.00 0.00 H new ATOM 0 HA SER A 2 -1.672 -14.704 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.189 -15.286 -18.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.857 -14.758 -18.077 1.00 0.00 H new ATOM 0 HG SER A 2 -1.674 -17.066 -18.213 1.00 0.00 H new ATOM 19 N SER A 3 -2.026 -12.285 -20.420 1.00 0.00 N ATOM 20 CA SER A 3 -2.308 -10.868 -20.223 1.00 0.00 C ATOM 21 C SER A 3 -3.502 -10.676 -19.293 1.00 0.00 C ATOM 22 O SER A 3 -4.358 -11.551 -19.174 1.00 0.00 O ATOM 23 CB SER A 3 -2.580 -10.188 -21.567 1.00 0.00 C ATOM 24 OG SER A 3 -2.304 -8.800 -21.502 1.00 0.00 O ATOM 0 H SER A 3 -2.569 -12.724 -21.163 1.00 0.00 H new ATOM 0 HA SER A 3 -1.433 -10.410 -19.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.966 -10.648 -22.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.621 -10.342 -21.852 1.00 0.00 H new ATOM 0 HG SER A 3 -2.484 -8.389 -22.373 1.00 0.00 H new ATOM 30 N GLY A 4 -3.551 -9.522 -18.634 1.00 0.00 N ATOM 31 CA GLY A 4 -4.643 -9.235 -17.722 1.00 0.00 C ATOM 32 C GLY A 4 -5.156 -7.815 -17.860 1.00 0.00 C ATOM 33 O GLY A 4 -4.404 -6.909 -18.220 1.00 0.00 O ATOM 0 H GLY A 4 -2.854 -8.781 -18.715 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.460 -9.933 -17.907 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.309 -9.400 -16.697 1.00 0.00 H new ATOM 37 N SER A 5 -6.439 -7.620 -17.575 1.00 0.00 N ATOM 38 CA SER A 5 -7.053 -6.301 -17.674 1.00 0.00 C ATOM 39 C SER A 5 -7.799 -5.950 -16.390 1.00 0.00 C ATOM 40 O SER A 5 -8.284 -6.831 -15.681 1.00 0.00 O ATOM 41 CB SER A 5 -8.013 -6.251 -18.865 1.00 0.00 C ATOM 42 OG SER A 5 -7.329 -6.497 -20.082 1.00 0.00 O ATOM 0 H SER A 5 -7.074 -8.359 -17.273 1.00 0.00 H new ATOM 0 HA SER A 5 -6.260 -5.569 -17.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.802 -6.991 -18.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.496 -5.275 -18.906 1.00 0.00 H new ATOM 0 HG SER A 5 -7.964 -6.461 -20.827 1.00 0.00 H new ATOM 48 N SER A 6 -7.885 -4.657 -16.098 1.00 0.00 N ATOM 49 CA SER A 6 -8.568 -4.188 -14.898 1.00 0.00 C ATOM 50 C SER A 6 -8.956 -2.718 -15.033 1.00 0.00 C ATOM 51 O SER A 6 -8.319 -1.961 -15.764 1.00 0.00 O ATOM 52 CB SER A 6 -7.676 -4.381 -13.670 1.00 0.00 C ATOM 53 OG SER A 6 -7.450 -5.756 -13.415 1.00 0.00 O ATOM 0 H SER A 6 -7.490 -3.915 -16.676 1.00 0.00 H new ATOM 0 HA SER A 6 -9.477 -4.776 -14.774 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.723 -3.875 -13.826 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.144 -3.919 -12.801 1.00 0.00 H new ATOM 0 HG SER A 6 -8.043 -6.295 -13.979 1.00 0.00 H new ATOM 59 N GLY A 7 -10.007 -2.323 -14.321 1.00 0.00 N ATOM 60 CA GLY A 7 -10.463 -0.946 -14.374 1.00 0.00 C ATOM 61 C GLY A 7 -11.857 -0.775 -13.804 1.00 0.00 C ATOM 62 O GLY A 7 -12.764 -0.302 -14.491 1.00 0.00 O ATOM 0 H GLY A 7 -10.551 -2.931 -13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.768 -0.315 -13.821 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.452 -0.602 -15.408 1.00 0.00 H new ATOM 66 N THR A 8 -12.031 -1.161 -12.544 1.00 0.00 N ATOM 67 CA THR A 8 -13.325 -1.051 -11.883 1.00 0.00 C ATOM 68 C THR A 8 -13.205 -0.304 -10.560 1.00 0.00 C ATOM 69 O THR A 8 -12.399 -0.666 -9.704 1.00 0.00 O ATOM 70 CB THR A 8 -13.943 -2.438 -11.621 1.00 0.00 C ATOM 71 OG1 THR A 8 -13.013 -3.262 -10.910 1.00 0.00 O ATOM 72 CG2 THR A 8 -14.329 -3.113 -12.929 1.00 0.00 C ATOM 0 H THR A 8 -11.292 -1.553 -11.961 1.00 0.00 H new ATOM 0 HA THR A 8 -13.976 -0.492 -12.556 1.00 0.00 H new ATOM 0 HB THR A 8 -14.842 -2.304 -11.020 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.511 -2.713 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.763 -4.091 -12.720 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.059 -2.497 -13.455 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.442 -3.235 -13.551 1.00 0.00 H new ATOM 80 N GLU A 9 -14.012 0.741 -10.399 1.00 0.00 N ATOM 81 CA GLU A 9 -13.994 1.539 -9.179 1.00 0.00 C ATOM 82 C GLU A 9 -15.377 1.581 -8.537 1.00 0.00 C ATOM 83 O GLU A 9 -16.259 2.315 -8.984 1.00 0.00 O ATOM 84 CB GLU A 9 -13.515 2.961 -9.480 1.00 0.00 C ATOM 85 CG GLU A 9 -13.272 3.797 -8.236 1.00 0.00 C ATOM 86 CD GLU A 9 -12.713 5.170 -8.555 1.00 0.00 C ATOM 87 OE1 GLU A 9 -11.604 5.242 -9.125 1.00 0.00 O ATOM 88 OE2 GLU A 9 -13.385 6.173 -8.236 1.00 0.00 O ATOM 0 H GLU A 9 -14.686 1.054 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.302 1.071 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.593 2.910 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.256 3.460 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.208 3.908 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.580 3.271 -7.579 1.00 0.00 H new ATOM 95 N ARG A 10 -15.560 0.789 -7.486 1.00 0.00 N ATOM 96 CA ARG A 10 -16.836 0.734 -6.782 1.00 0.00 C ATOM 97 C ARG A 10 -16.638 0.310 -5.330 1.00 0.00 C ATOM 98 O ARG A 10 -15.662 -0.361 -4.997 1.00 0.00 O ATOM 99 CB ARG A 10 -17.787 -0.237 -7.483 1.00 0.00 C ATOM 100 CG ARG A 10 -18.520 0.375 -8.666 1.00 0.00 C ATOM 101 CD ARG A 10 -19.379 -0.655 -9.383 1.00 0.00 C ATOM 102 NE ARG A 10 -20.158 -0.060 -10.465 1.00 0.00 N ATOM 103 CZ ARG A 10 -20.606 -0.745 -11.511 1.00 0.00 C ATOM 104 NH1 ARG A 10 -20.354 -2.042 -11.616 1.00 0.00 N ATOM 105 NH2 ARG A 10 -21.309 -0.132 -12.455 1.00 0.00 N ATOM 0 H ARG A 10 -14.840 0.176 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 10 -17.273 1.733 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.221 -1.103 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -18.519 -0.600 -6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.147 1.197 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.797 0.797 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.741 -1.442 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.053 -1.126 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.370 0.937 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.815 -2.517 -10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.700 -2.565 -12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.506 0.866 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.653 -0.659 -13.258 1.00 0.00 H new ATOM 119 N GLU A 11 -17.571 0.708 -4.471 1.00 0.00 N ATOM 120 CA GLU A 11 -17.498 0.370 -3.054 1.00 0.00 C ATOM 121 C GLU A 11 -18.850 -0.114 -2.539 1.00 0.00 C ATOM 122 O GLU A 11 -19.760 0.682 -2.303 1.00 0.00 O ATOM 123 CB GLU A 11 -17.035 1.581 -2.241 1.00 0.00 C ATOM 124 CG GLU A 11 -15.576 1.942 -2.464 1.00 0.00 C ATOM 125 CD GLU A 11 -15.013 2.810 -1.356 1.00 0.00 C ATOM 126 OE1 GLU A 11 -15.574 3.899 -1.112 1.00 0.00 O ATOM 127 OE2 GLU A 11 -14.012 2.400 -0.732 1.00 0.00 O ATOM 0 H GLU A 11 -18.386 1.264 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.774 -0.436 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.656 2.439 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.193 1.379 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.987 1.028 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.476 2.464 -3.416 1.00 0.00 H new ATOM 134 N LYS A 12 -18.976 -1.426 -2.368 1.00 0.00 N ATOM 135 CA LYS A 12 -20.216 -2.019 -1.881 1.00 0.00 C ATOM 136 C LYS A 12 -19.936 -3.290 -1.087 1.00 0.00 C ATOM 137 O LYS A 12 -19.025 -4.051 -1.415 1.00 0.00 O ATOM 138 CB LYS A 12 -21.150 -2.332 -3.053 1.00 0.00 C ATOM 139 CG LYS A 12 -22.072 -1.182 -3.420 1.00 0.00 C ATOM 140 CD LYS A 12 -23.403 -1.280 -2.692 1.00 0.00 C ATOM 141 CE LYS A 12 -23.369 -0.535 -1.366 1.00 0.00 C ATOM 142 NZ LYS A 12 -24.688 -0.572 -0.676 1.00 0.00 N ATOM 0 H LYS A 12 -18.234 -2.099 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.700 -1.299 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -20.550 -2.598 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.753 -3.205 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.590 -0.236 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.244 -1.182 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.194 -0.870 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.646 -2.328 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.609 -0.976 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.078 0.501 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.624 -0.054 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -25.409 -0.129 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.954 -1.560 -0.488 1.00 0.00 H new ATOM 156 N PHE A 13 -20.725 -3.516 -0.042 1.00 0.00 N ATOM 157 CA PHE A 13 -20.562 -4.696 0.799 1.00 0.00 C ATOM 158 C PHE A 13 -21.908 -5.169 1.340 1.00 0.00 C ATOM 159 O PHE A 13 -22.591 -4.439 2.060 1.00 0.00 O ATOM 160 CB PHE A 13 -19.612 -4.394 1.959 1.00 0.00 C ATOM 161 CG PHE A 13 -19.442 -5.544 2.910 1.00 0.00 C ATOM 162 CD1 PHE A 13 -20.453 -5.883 3.795 1.00 0.00 C ATOM 163 CD2 PHE A 13 -18.272 -6.287 2.919 1.00 0.00 C ATOM 164 CE1 PHE A 13 -20.299 -6.941 4.672 1.00 0.00 C ATOM 165 CE2 PHE A 13 -18.113 -7.346 3.793 1.00 0.00 C ATOM 166 CZ PHE A 13 -19.128 -7.674 4.670 1.00 0.00 C ATOM 0 H PHE A 13 -21.484 -2.897 0.243 1.00 0.00 H new ATOM 0 HA PHE A 13 -20.136 -5.491 0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -18.637 -4.118 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.986 -3.530 2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -21.371 -5.315 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -17.475 -6.036 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -21.094 -7.194 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -17.196 -7.916 3.790 1.00 0.00 H new ATOM 0 HZ PHE A 13 -19.007 -8.502 5.353 1.00 0.00 H new ATOM 176 N ILE A 14 -22.284 -6.393 0.987 1.00 0.00 N ATOM 177 CA ILE A 14 -23.547 -6.964 1.436 1.00 0.00 C ATOM 178 C ILE A 14 -23.487 -8.488 1.454 1.00 0.00 C ATOM 179 O ILE A 14 -23.100 -9.116 0.469 1.00 0.00 O ATOM 180 CB ILE A 14 -24.717 -6.518 0.540 1.00 0.00 C ATOM 181 CG1 ILE A 14 -24.864 -4.996 0.575 1.00 0.00 C ATOM 182 CG2 ILE A 14 -26.009 -7.191 0.981 1.00 0.00 C ATOM 183 CD1 ILE A 14 -26.142 -4.497 -0.063 1.00 0.00 C ATOM 0 H ILE A 14 -21.731 -7.009 0.391 1.00 0.00 H new ATOM 0 HA ILE A 14 -23.716 -6.598 2.449 1.00 0.00 H new ATOM 0 HB ILE A 14 -24.505 -6.820 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.829 -4.660 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.013 -4.545 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -26.827 -6.866 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -25.899 -8.273 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -26.228 -6.917 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -26.179 -3.409 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -26.170 -4.803 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -26.999 -4.919 0.461 1.00 0.00 H new ATOM 195 N VAL A 15 -23.874 -9.077 2.581 1.00 0.00 N ATOM 196 CA VAL A 15 -23.868 -10.527 2.727 1.00 0.00 C ATOM 197 C VAL A 15 -25.281 -11.068 2.909 1.00 0.00 C ATOM 198 O VAL A 15 -26.171 -10.389 3.423 1.00 0.00 O ATOM 199 CB VAL A 15 -23.004 -10.967 3.924 1.00 0.00 C ATOM 200 CG1 VAL A 15 -21.549 -10.582 3.703 1.00 0.00 C ATOM 201 CG2 VAL A 15 -23.534 -10.360 5.215 1.00 0.00 C ATOM 0 H VAL A 15 -24.196 -8.572 3.406 1.00 0.00 H new ATOM 0 HA VAL A 15 -23.442 -10.935 1.810 1.00 0.00 H new ATOM 0 HB VAL A 15 -23.059 -12.052 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -20.954 -10.901 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -21.177 -11.068 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -21.472 -9.501 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -22.912 -10.681 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -23.511 -9.273 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -24.560 -10.691 5.378 1.00 0.00 H new ATOM 211 N PRO A 16 -25.496 -12.320 2.479 1.00 0.00 N ATOM 212 CA PRO A 16 -26.800 -12.981 2.585 1.00 0.00 C ATOM 213 C PRO A 16 -27.168 -13.309 4.028 1.00 0.00 C ATOM 214 O PRO A 16 -26.336 -13.206 4.929 1.00 0.00 O ATOM 215 CB PRO A 16 -26.613 -14.267 1.775 1.00 0.00 C ATOM 216 CG PRO A 16 -25.148 -14.535 1.824 1.00 0.00 C ATOM 217 CD PRO A 16 -24.481 -13.188 1.857 1.00 0.00 C ATOM 0 HA PRO A 16 -27.609 -12.347 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -27.181 -15.092 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -26.959 -14.143 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -24.888 -15.121 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -24.827 -15.108 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -23.560 -13.210 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -24.218 -12.845 0.856 1.00 0.00 H new ATOM 225 N ILE A 17 -28.419 -13.705 4.239 1.00 0.00 N ATOM 226 CA ILE A 17 -28.896 -14.049 5.572 1.00 0.00 C ATOM 227 C ILE A 17 -27.899 -14.946 6.298 1.00 0.00 C ATOM 228 O ILE A 17 -27.483 -14.652 7.418 1.00 0.00 O ATOM 229 CB ILE A 17 -30.262 -14.759 5.516 1.00 0.00 C ATOM 230 CG1 ILE A 17 -31.298 -13.864 4.832 1.00 0.00 C ATOM 231 CG2 ILE A 17 -30.721 -15.136 6.916 1.00 0.00 C ATOM 232 CD1 ILE A 17 -32.585 -14.582 4.491 1.00 0.00 C ATOM 0 H ILE A 17 -29.120 -13.795 3.504 1.00 0.00 H new ATOM 0 HA ILE A 17 -29.005 -13.113 6.119 1.00 0.00 H new ATOM 0 HB ILE A 17 -30.157 -15.673 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -31.524 -13.020 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -30.866 -13.455 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -31.688 -15.637 6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -29.991 -15.806 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -30.814 -14.236 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -33.273 -13.887 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -32.372 -15.409 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -33.039 -14.968 5.404 1.00 0.00 H new ATOM 244 N LYS A 18 -27.519 -16.043 5.651 1.00 0.00 N ATOM 245 CA LYS A 18 -26.568 -16.983 6.232 1.00 0.00 C ATOM 246 C LYS A 18 -25.394 -17.223 5.288 1.00 0.00 C ATOM 247 O LYS A 18 -25.560 -17.241 4.068 1.00 0.00 O ATOM 248 CB LYS A 18 -27.261 -18.310 6.549 1.00 0.00 C ATOM 249 CG LYS A 18 -27.629 -19.115 5.315 1.00 0.00 C ATOM 250 CD LYS A 18 -27.708 -20.601 5.621 1.00 0.00 C ATOM 251 CE LYS A 18 -28.686 -21.309 4.696 1.00 0.00 C ATOM 252 NZ LYS A 18 -29.149 -22.605 5.266 1.00 0.00 N ATOM 0 H LYS A 18 -27.855 -16.303 4.724 1.00 0.00 H new ATOM 0 HA LYS A 18 -26.185 -16.550 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -26.607 -18.910 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -28.165 -18.110 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -28.588 -18.771 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -26.889 -18.943 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.719 -21.048 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -28.016 -20.744 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -29.546 -20.664 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -28.211 -21.486 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -29.814 -23.057 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -28.331 -23.230 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -29.625 -22.434 6.175 1.00 0.00 H new ATOM 266 N ALA A 19 -24.209 -17.409 5.859 1.00 0.00 N ATOM 267 CA ALA A 19 -23.009 -17.652 5.068 1.00 0.00 C ATOM 268 C ALA A 19 -22.048 -18.583 5.800 1.00 0.00 C ATOM 269 O ALA A 19 -21.354 -18.170 6.729 1.00 0.00 O ATOM 270 CB ALA A 19 -22.321 -16.336 4.736 1.00 0.00 C ATOM 0 H ALA A 19 -24.054 -17.396 6.867 1.00 0.00 H new ATOM 0 HA ALA A 19 -23.308 -18.138 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -21.426 -16.532 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -23.001 -15.704 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -22.042 -15.828 5.659 1.00 0.00 H new ATOM 276 N ARG A 20 -22.014 -19.842 5.376 1.00 0.00 N ATOM 277 CA ARG A 20 -21.140 -20.833 5.993 1.00 0.00 C ATOM 278 C ARG A 20 -20.095 -21.330 4.998 1.00 0.00 C ATOM 279 O ARG A 20 -20.338 -21.365 3.793 1.00 0.00 O ATOM 280 CB ARG A 20 -21.961 -22.012 6.518 1.00 0.00 C ATOM 281 CG ARG A 20 -21.229 -22.850 7.554 1.00 0.00 C ATOM 282 CD ARG A 20 -21.765 -24.272 7.600 1.00 0.00 C ATOM 283 NE ARG A 20 -21.519 -24.990 6.353 1.00 0.00 N ATOM 284 CZ ARG A 20 -21.431 -26.313 6.271 1.00 0.00 C ATOM 285 NH1 ARG A 20 -21.569 -27.058 7.359 1.00 0.00 N ATOM 286 NH2 ARG A 20 -21.206 -26.894 5.100 1.00 0.00 N ATOM 0 H ARG A 20 -22.581 -20.200 4.608 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.625 -20.357 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.885 -21.634 6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.242 -22.650 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.164 -22.869 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.333 -22.389 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.298 -24.809 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.836 -24.249 7.800 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.409 -24.446 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.743 -26.616 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.501 -28.074 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.100 -26.325 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.139 -27.910 5.039 1.00 0.00 H new ATOM 300 N GLY A 21 -18.931 -21.713 5.513 1.00 0.00 N ATOM 301 CA GLY A 21 -17.866 -22.202 4.656 1.00 0.00 C ATOM 302 C GLY A 21 -16.553 -21.485 4.897 1.00 0.00 C ATOM 303 O GLY A 21 -16.537 -20.314 5.276 1.00 0.00 O ATOM 0 H GLY A 21 -18.706 -21.694 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.729 -23.270 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.158 -22.079 3.613 1.00 0.00 H new ATOM 307 N ALA A 22 -15.447 -22.189 4.678 1.00 0.00 N ATOM 308 CA ALA A 22 -14.123 -21.612 4.874 1.00 0.00 C ATOM 309 C ALA A 22 -13.863 -20.485 3.879 1.00 0.00 C ATOM 310 O ALA A 22 -14.083 -20.642 2.678 1.00 0.00 O ATOM 311 CB ALA A 22 -13.054 -22.688 4.746 1.00 0.00 C ATOM 0 H ALA A 22 -15.442 -23.160 4.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.082 -21.192 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.070 -22.243 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.221 -23.458 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.104 -23.134 3.753 1.00 0.00 H new ATOM 317 N ARG A 23 -13.394 -19.351 4.388 1.00 0.00 N ATOM 318 CA ARG A 23 -13.106 -18.197 3.544 1.00 0.00 C ATOM 319 C ARG A 23 -11.674 -17.713 3.754 1.00 0.00 C ATOM 320 O ARG A 23 -10.990 -18.150 4.680 1.00 0.00 O ATOM 321 CB ARG A 23 -14.088 -17.062 3.842 1.00 0.00 C ATOM 322 CG ARG A 23 -15.430 -17.220 3.146 1.00 0.00 C ATOM 323 CD ARG A 23 -15.380 -16.705 1.716 1.00 0.00 C ATOM 324 NE ARG A 23 -15.494 -15.251 1.654 1.00 0.00 N ATOM 325 CZ ARG A 23 -16.634 -14.594 1.834 1.00 0.00 C ATOM 326 NH1 ARG A 23 -17.753 -15.260 2.086 1.00 0.00 N ATOM 327 NH2 ARG A 23 -16.657 -13.270 1.762 1.00 0.00 N ATOM 0 H ARG A 23 -13.205 -19.206 5.380 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.219 -18.503 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.251 -17.007 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.640 -16.116 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.719 -18.271 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.195 -16.679 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.444 -17.015 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.187 -17.157 1.140 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.651 -14.710 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.739 -16.278 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.628 -14.754 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.798 -12.755 1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.533 -12.767 1.900 1.00 0.00 H new ATOM 341 N ALA A 24 -11.227 -16.809 2.889 1.00 0.00 N ATOM 342 CA ALA A 24 -9.878 -16.265 2.981 1.00 0.00 C ATOM 343 C ALA A 24 -9.900 -14.822 3.474 1.00 0.00 C ATOM 344 O ALA A 24 -10.707 -14.012 3.016 1.00 0.00 O ATOM 345 CB ALA A 24 -9.180 -16.353 1.632 1.00 0.00 C ATOM 0 H ALA A 24 -11.780 -16.438 2.116 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.322 -16.860 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.173 -15.943 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.122 -17.396 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.743 -15.783 0.893 1.00 0.00 H new ATOM 351 N ILE A 25 -9.011 -14.508 4.410 1.00 0.00 N ATOM 352 CA ILE A 25 -8.930 -13.162 4.964 1.00 0.00 C ATOM 353 C ILE A 25 -7.514 -12.846 5.435 1.00 0.00 C ATOM 354 O ILE A 25 -6.911 -13.616 6.185 1.00 0.00 O ATOM 355 CB ILE A 25 -9.903 -12.979 6.144 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.323 -13.369 5.727 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.868 -11.542 6.641 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.310 -13.373 6.873 1.00 0.00 C ATOM 0 H ILE A 25 -8.337 -15.167 4.800 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.207 -12.475 4.165 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.590 -13.633 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.671 -12.676 4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.301 -14.360 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.561 -11.428 7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.859 -11.296 6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.159 -10.870 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.295 -13.658 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.985 -14.087 7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.362 -12.377 7.312 1.00 0.00 H new ATOM 370 N LEU A 26 -6.989 -11.709 4.992 1.00 0.00 N ATOM 371 CA LEU A 26 -5.644 -11.290 5.369 1.00 0.00 C ATOM 372 C LEU A 26 -5.687 -10.029 6.226 1.00 0.00 C ATOM 373 O LEU A 26 -6.716 -9.358 6.310 1.00 0.00 O ATOM 374 CB LEU A 26 -4.796 -11.042 4.120 1.00 0.00 C ATOM 375 CG LEU A 26 -4.119 -12.271 3.514 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.139 -12.883 4.504 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.158 -13.297 3.086 1.00 0.00 C ATOM 0 H LEU A 26 -7.474 -11.061 4.371 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.192 -12.091 5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.431 -10.589 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.025 -10.312 4.368 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.563 -11.957 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.667 -13.757 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.375 -12.149 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.672 -13.182 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.657 -14.165 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.742 -13.607 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.820 -12.855 2.341 1.00 0.00 H new ATOM 389 N ASP A 27 -4.563 -9.711 6.859 1.00 0.00 N ATOM 390 CA ASP A 27 -4.471 -8.528 7.707 1.00 0.00 C ATOM 391 C ASP A 27 -3.671 -7.427 7.019 1.00 0.00 C ATOM 392 O ASP A 27 -2.444 -7.492 6.943 1.00 0.00 O ATOM 393 CB ASP A 27 -3.825 -8.884 9.047 1.00 0.00 C ATOM 394 CG ASP A 27 -2.580 -9.734 8.881 1.00 0.00 C ATOM 395 OD1 ASP A 27 -1.986 -9.709 7.783 1.00 0.00 O ATOM 396 OD2 ASP A 27 -2.200 -10.424 9.851 1.00 0.00 O ATOM 0 H ASP A 27 -3.703 -10.256 6.801 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.481 -8.160 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.568 -7.968 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.547 -9.418 9.665 1.00 0.00 H new ATOM 401 N PHE A 28 -4.375 -6.416 6.519 1.00 0.00 N ATOM 402 CA PHE A 28 -3.730 -5.301 5.834 1.00 0.00 C ATOM 403 C PHE A 28 -4.223 -3.967 6.386 1.00 0.00 C ATOM 404 O PHE A 28 -5.394 -3.803 6.730 1.00 0.00 O ATOM 405 CB PHE A 28 -3.999 -5.374 4.330 1.00 0.00 C ATOM 406 CG PHE A 28 -3.093 -6.328 3.605 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.411 -7.673 3.514 1.00 0.00 C ATOM 408 CD2 PHE A 28 -1.923 -5.878 3.014 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.578 -8.552 2.848 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.086 -6.753 2.346 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.415 -8.091 2.262 1.00 0.00 C ATOM 0 H PHE A 28 -5.391 -6.346 6.575 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.656 -5.372 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.034 -5.674 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.885 -4.379 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.320 -8.039 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.662 -4.832 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.836 -9.599 2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.176 -6.390 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.764 -8.776 1.739 1.00 0.00 H new ATOM 421 N PRO A 29 -3.309 -2.989 6.474 1.00 0.00 N ATOM 422 CA PRO A 29 -3.626 -1.652 6.983 1.00 0.00 C ATOM 423 C PRO A 29 -4.520 -0.865 6.029 1.00 0.00 C ATOM 424 O PRO A 29 -4.609 -1.183 4.843 1.00 0.00 O ATOM 425 CB PRO A 29 -2.254 -0.984 7.104 1.00 0.00 C ATOM 426 CG PRO A 29 -1.398 -1.695 6.115 1.00 0.00 C ATOM 427 CD PRO A 29 -1.895 -3.114 6.081 1.00 0.00 C ATOM 0 HA PRO A 29 -4.179 -1.694 7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.312 0.082 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.855 -1.079 8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.472 -1.232 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.349 -1.656 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.791 -3.553 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.341 -3.751 6.771 1.00 0.00 H new ATOM 435 N ASP A 30 -5.177 0.162 6.554 1.00 0.00 N ATOM 436 CA ASP A 30 -6.063 0.996 5.749 1.00 0.00 C ATOM 437 C ASP A 30 -5.304 1.632 4.589 1.00 0.00 C ATOM 438 O ASP A 30 -5.786 1.657 3.456 1.00 0.00 O ATOM 439 CB ASP A 30 -6.701 2.083 6.614 1.00 0.00 C ATOM 440 CG ASP A 30 -7.853 1.558 7.448 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.608 0.708 8.329 1.00 0.00 O ATOM 442 OD2 ASP A 30 -9.000 1.996 7.219 1.00 0.00 O ATOM 0 H ASP A 30 -5.113 0.438 7.534 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.849 0.360 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.944 2.510 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.058 2.890 5.974 1.00 0.00 H new ATOM 447 N LYS A 31 -4.113 2.146 4.878 1.00 0.00 N ATOM 448 CA LYS A 31 -3.286 2.782 3.860 1.00 0.00 C ATOM 449 C LYS A 31 -1.813 2.747 4.256 1.00 0.00 C ATOM 450 O LYS A 31 -1.477 2.497 5.414 1.00 0.00 O ATOM 451 CB LYS A 31 -3.733 4.230 3.642 1.00 0.00 C ATOM 452 CG LYS A 31 -3.493 5.127 4.844 1.00 0.00 C ATOM 453 CD LYS A 31 -3.491 6.595 4.452 1.00 0.00 C ATOM 454 CE LYS A 31 -4.900 7.103 4.186 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.586 7.520 5.440 1.00 0.00 N ATOM 0 H LYS A 31 -3.699 2.134 5.810 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.407 2.227 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.203 4.640 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.795 4.241 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.266 4.950 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.539 4.871 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.035 7.184 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.879 6.734 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.858 7.947 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.481 6.321 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.543 7.860 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.650 6.708 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.045 8.284 5.894 1.00 0.00 H new ATOM 469 N LEU A 32 -0.939 3.001 3.288 1.00 0.00 N ATOM 470 CA LEU A 32 0.498 3.001 3.536 1.00 0.00 C ATOM 471 C LEU A 32 1.029 4.425 3.664 1.00 0.00 C ATOM 472 O LEU A 32 1.020 5.191 2.702 1.00 0.00 O ATOM 473 CB LEU A 32 1.230 2.271 2.408 1.00 0.00 C ATOM 474 CG LEU A 32 2.649 1.799 2.723 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.523 2.973 3.138 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.628 0.737 3.813 1.00 0.00 C ATOM 0 H LEU A 32 -1.201 3.210 2.324 1.00 0.00 H new ATOM 0 HA LEU A 32 0.679 2.480 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.636 1.404 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.272 2.932 1.542 1.00 0.00 H new ATOM 0 HG LEU A 32 3.073 1.358 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.530 2.617 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.565 3.700 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.102 3.444 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.647 0.412 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.185 1.153 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.038 -0.116 3.479 1.00 0.00 H new ATOM 488 N ASN A 33 1.494 4.772 4.860 1.00 0.00 N ATOM 489 CA ASN A 33 2.031 6.104 5.114 1.00 0.00 C ATOM 490 C ASN A 33 3.545 6.124 4.932 1.00 0.00 C ATOM 491 O ASN A 33 4.280 5.473 5.676 1.00 0.00 O ATOM 492 CB ASN A 33 1.671 6.560 6.530 1.00 0.00 C ATOM 493 CG ASN A 33 1.883 5.468 7.561 1.00 0.00 C ATOM 494 OD1 ASN A 33 1.100 4.522 7.650 1.00 0.00 O ATOM 495 ND2 ASN A 33 2.946 5.595 8.346 1.00 0.00 N ATOM 0 H ASN A 33 1.510 4.150 5.668 1.00 0.00 H new ATOM 0 HA ASN A 33 1.587 6.791 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.276 7.427 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.629 6.879 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.141 4.892 9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.568 6.396 8.237 1.00 0.00 H new ATOM 502 N PHE A 34 4.006 6.875 3.937 1.00 0.00 N ATOM 503 CA PHE A 34 5.433 6.980 3.655 1.00 0.00 C ATOM 504 C PHE A 34 5.968 8.350 4.060 1.00 0.00 C ATOM 505 O PHE A 34 5.678 9.357 3.414 1.00 0.00 O ATOM 506 CB PHE A 34 5.701 6.734 2.169 1.00 0.00 C ATOM 507 CG PHE A 34 6.042 5.306 1.850 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.275 4.780 2.201 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.130 4.491 1.199 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.591 3.467 1.908 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.441 3.177 0.904 1.00 0.00 C ATOM 512 CZ PHE A 34 6.673 2.664 1.259 1.00 0.00 C ATOM 0 H PHE A 34 3.412 7.420 3.312 1.00 0.00 H new ATOM 0 HA PHE A 34 5.950 6.220 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.821 7.026 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.520 7.376 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.997 5.403 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.165 4.887 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.555 3.069 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.721 2.552 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.918 1.637 1.030 1.00 0.00 H new ATOM 522 N SER A 35 6.750 8.380 5.134 1.00 0.00 N ATOM 523 CA SER A 35 7.322 9.627 5.628 1.00 0.00 C ATOM 524 C SER A 35 8.042 10.376 4.510 1.00 0.00 C ATOM 525 O SER A 35 8.116 9.901 3.376 1.00 0.00 O ATOM 526 CB SER A 35 8.293 9.347 6.777 1.00 0.00 C ATOM 527 OG SER A 35 9.459 8.691 6.311 1.00 0.00 O ATOM 0 H SER A 35 7.002 7.555 5.679 1.00 0.00 H new ATOM 0 HA SER A 35 6.507 10.252 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.568 10.284 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.802 8.731 7.530 1.00 0.00 H new ATOM 0 HG SER A 35 10.064 8.525 7.064 1.00 0.00 H new ATOM 533 N THR A 36 8.571 11.550 4.838 1.00 0.00 N ATOM 534 CA THR A 36 9.284 12.366 3.863 1.00 0.00 C ATOM 535 C THR A 36 10.366 11.558 3.157 1.00 0.00 C ATOM 536 O THR A 36 11.400 11.239 3.746 1.00 0.00 O ATOM 537 CB THR A 36 9.928 13.598 4.526 1.00 0.00 C ATOM 538 OG1 THR A 36 9.014 14.189 5.456 1.00 0.00 O ATOM 539 CG2 THR A 36 10.331 14.627 3.480 1.00 0.00 C ATOM 0 H THR A 36 8.519 11.957 5.772 1.00 0.00 H new ATOM 0 HA THR A 36 8.549 12.700 3.131 1.00 0.00 H new ATOM 0 HB THR A 36 10.823 13.271 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.432 14.970 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.783 15.488 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.050 14.183 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.449 14.948 2.926 1.00 0.00 H new ATOM 547 N CYS A 37 10.124 11.232 1.892 1.00 0.00 N ATOM 548 CA CYS A 37 11.079 10.461 1.105 1.00 0.00 C ATOM 549 C CYS A 37 11.607 11.282 -0.067 1.00 0.00 C ATOM 550 O CYS A 37 11.002 12.269 -0.487 1.00 0.00 O ATOM 551 CB CYS A 37 10.429 9.175 0.591 1.00 0.00 C ATOM 552 SG CYS A 37 8.697 9.367 0.107 1.00 0.00 S ATOM 0 H CYS A 37 9.274 11.490 1.390 1.00 0.00 H new ATOM 0 HA CYS A 37 11.918 10.202 1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 37 10.996 8.811 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.496 8.411 1.366 1.00 0.00 H new ATOM 0 HG CYS A 37 7.977 9.617 1.160 1.00 0.00 H new ATOM 558 N PRO A 38 12.762 10.868 -0.608 1.00 0.00 N ATOM 559 CA PRO A 38 13.397 11.552 -1.738 1.00 0.00 C ATOM 560 C PRO A 38 12.615 11.378 -3.035 1.00 0.00 C ATOM 561 O PRO A 38 12.100 10.297 -3.321 1.00 0.00 O ATOM 562 CB PRO A 38 14.764 10.870 -1.842 1.00 0.00 C ATOM 563 CG PRO A 38 14.561 9.521 -1.244 1.00 0.00 C ATOM 564 CD PRO A 38 13.537 9.699 -0.158 1.00 0.00 C ATOM 0 HA PRO A 38 13.453 12.629 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.093 10.798 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.528 11.431 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.215 8.810 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.494 9.129 -0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.907 8.816 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.005 9.876 0.810 1.00 0.00 H new ATOM 572 N VAL A 39 12.529 12.449 -3.817 1.00 0.00 N ATOM 573 CA VAL A 39 11.810 12.414 -5.085 1.00 0.00 C ATOM 574 C VAL A 39 12.501 11.492 -6.084 1.00 0.00 C ATOM 575 O VAL A 39 11.912 10.522 -6.561 1.00 0.00 O ATOM 576 CB VAL A 39 11.689 13.820 -5.701 1.00 0.00 C ATOM 577 CG1 VAL A 39 13.046 14.506 -5.737 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.086 13.741 -7.096 1.00 0.00 C ATOM 0 H VAL A 39 12.948 13.352 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 39 10.812 12.031 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 39 11.024 14.415 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.941 15.498 -6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.435 14.597 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.737 13.915 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.008 14.744 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.724 13.129 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.094 13.293 -7.039 1.00 0.00 H new ATOM 588 N LYS A 40 13.755 11.800 -6.395 1.00 0.00 N ATOM 589 CA LYS A 40 14.530 10.999 -7.336 1.00 0.00 C ATOM 590 C LYS A 40 14.758 9.592 -6.792 1.00 0.00 C ATOM 591 O LYS A 40 14.284 8.610 -7.366 1.00 0.00 O ATOM 592 CB LYS A 40 15.875 11.670 -7.623 1.00 0.00 C ATOM 593 CG LYS A 40 15.909 12.423 -8.942 1.00 0.00 C ATOM 594 CD LYS A 40 15.199 13.762 -8.839 1.00 0.00 C ATOM 595 CE LYS A 40 16.017 14.767 -8.042 1.00 0.00 C ATOM 596 NZ LYS A 40 17.144 15.321 -8.841 1.00 0.00 N ATOM 0 H LYS A 40 14.257 12.599 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 40 13.963 10.924 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.107 12.362 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.657 10.911 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.944 12.582 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.439 11.820 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.013 14.154 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.227 13.624 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.371 15.581 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.409 14.287 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.046 15.085 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.126 14.912 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.049 16.355 -8.905 1.00 0.00 H new ATOM 610 N TYR A 41 15.484 9.501 -5.684 1.00 0.00 N ATOM 611 CA TYR A 41 15.776 8.214 -5.065 1.00 0.00 C ATOM 612 C TYR A 41 14.496 7.413 -4.844 1.00 0.00 C ATOM 613 O TYR A 41 13.410 7.979 -4.716 1.00 0.00 O ATOM 614 CB TYR A 41 16.499 8.417 -3.732 1.00 0.00 C ATOM 615 CG TYR A 41 17.873 9.032 -3.877 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.995 8.235 -4.069 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.049 10.409 -3.821 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.252 8.792 -4.201 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.302 10.974 -3.953 1.00 0.00 C ATOM 620 CZ TYR A 41 20.401 10.162 -4.143 1.00 0.00 C ATOM 621 OH TYR A 41 21.651 10.721 -4.274 1.00 0.00 O ATOM 0 H TYR A 41 15.881 10.304 -5.196 1.00 0.00 H new ATOM 0 HA TYR A 41 16.423 7.654 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.890 9.055 -3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.592 7.455 -3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.882 7.162 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.191 11.048 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 41 21.114 8.158 -4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.421 12.046 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 41 21.581 11.696 -4.211 1.00 0.00 H new ATOM 631 N SER A 42 14.632 6.092 -4.801 1.00 0.00 N ATOM 632 CA SER A 42 13.487 5.211 -4.599 1.00 0.00 C ATOM 633 C SER A 42 13.324 4.862 -3.122 1.00 0.00 C ATOM 634 O SER A 42 14.285 4.899 -2.353 1.00 0.00 O ATOM 635 CB SER A 42 13.650 3.932 -5.422 1.00 0.00 C ATOM 636 OG SER A 42 12.681 2.964 -5.056 1.00 0.00 O ATOM 0 H SER A 42 15.524 5.608 -4.903 1.00 0.00 H new ATOM 0 HA SER A 42 12.592 5.737 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.555 4.164 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.650 3.525 -5.273 1.00 0.00 H new ATOM 0 HG SER A 42 12.805 2.156 -5.597 1.00 0.00 H new ATOM 642 N THR A 43 12.099 4.523 -2.733 1.00 0.00 N ATOM 643 CA THR A 43 11.808 4.168 -1.350 1.00 0.00 C ATOM 644 C THR A 43 11.411 2.701 -1.230 1.00 0.00 C ATOM 645 O THR A 43 10.810 2.135 -2.143 1.00 0.00 O ATOM 646 CB THR A 43 10.679 5.042 -0.772 1.00 0.00 C ATOM 647 OG1 THR A 43 11.057 6.422 -0.813 1.00 0.00 O ATOM 648 CG2 THR A 43 10.363 4.640 0.661 1.00 0.00 C ATOM 0 H THR A 43 11.293 4.487 -3.356 1.00 0.00 H new ATOM 0 HA THR A 43 12.721 4.342 -0.780 1.00 0.00 H new ATOM 0 HB THR A 43 9.787 4.892 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.293 6.962 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.563 5.271 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.047 3.597 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.253 4.763 1.278 1.00 0.00 H new ATOM 656 N GLN A 44 11.752 2.091 -0.099 1.00 0.00 N ATOM 657 CA GLN A 44 11.430 0.689 0.138 1.00 0.00 C ATOM 658 C GLN A 44 10.793 0.502 1.511 1.00 0.00 C ATOM 659 O GLN A 44 11.115 1.217 2.460 1.00 0.00 O ATOM 660 CB GLN A 44 12.691 -0.171 0.026 1.00 0.00 C ATOM 661 CG GLN A 44 13.229 -0.280 -1.391 1.00 0.00 C ATOM 662 CD GLN A 44 13.811 1.026 -1.896 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.197 1.892 -1.110 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.878 1.174 -3.214 1.00 0.00 N ATOM 0 H GLN A 44 12.250 2.545 0.666 1.00 0.00 H new ATOM 0 HA GLN A 44 10.714 0.373 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.465 0.249 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.473 -1.171 0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.997 -1.053 -1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.427 -0.597 -2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.546 0.430 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.261 2.031 -3.612 1.00 0.00 H new ATOM 673 N LYS A 45 9.887 -0.465 1.610 1.00 0.00 N ATOM 674 CA LYS A 45 9.204 -0.748 2.867 1.00 0.00 C ATOM 675 C LYS A 45 8.695 -2.186 2.898 1.00 0.00 C ATOM 676 O LYS A 45 8.460 -2.793 1.853 1.00 0.00 O ATOM 677 CB LYS A 45 8.037 0.222 3.067 1.00 0.00 C ATOM 678 CG LYS A 45 7.710 0.488 4.526 1.00 0.00 C ATOM 679 CD LYS A 45 6.780 1.680 4.681 1.00 0.00 C ATOM 680 CE LYS A 45 7.558 2.974 4.864 1.00 0.00 C ATOM 681 NZ LYS A 45 8.030 3.143 6.266 1.00 0.00 N ATOM 0 H LYS A 45 9.609 -1.066 0.834 1.00 0.00 H new ATOM 0 HA LYS A 45 9.920 -0.617 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.273 1.167 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.153 -0.180 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.246 -0.396 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.632 0.670 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.140 1.760 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.126 1.523 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.414 2.982 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.927 3.819 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.556 4.036 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.212 3.161 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.652 2.350 6.521 1.00 0.00 H new ATOM 695 N ILE A 46 8.526 -2.723 4.101 1.00 0.00 N ATOM 696 CA ILE A 46 8.042 -4.088 4.267 1.00 0.00 C ATOM 697 C ILE A 46 6.747 -4.119 5.072 1.00 0.00 C ATOM 698 O ILE A 46 6.531 -3.286 5.953 1.00 0.00 O ATOM 699 CB ILE A 46 9.089 -4.975 4.966 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.362 -5.062 4.121 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.521 -6.363 5.222 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.471 -5.852 4.779 1.00 0.00 C ATOM 0 H ILE A 46 8.717 -2.234 4.975 1.00 0.00 H new ATOM 0 HA ILE A 46 7.854 -4.480 3.267 1.00 0.00 H new ATOM 0 HB ILE A 46 9.343 -4.525 5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.121 -5.520 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.720 -4.054 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.273 -6.978 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.640 -6.284 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.242 -6.823 4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.342 -5.872 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.740 -5.383 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.132 -6.871 4.963 1.00 0.00 H new ATOM 714 N LEU A 47 5.889 -5.085 4.765 1.00 0.00 N ATOM 715 CA LEU A 47 4.615 -5.227 5.461 1.00 0.00 C ATOM 716 C LEU A 47 4.326 -6.691 5.775 1.00 0.00 C ATOM 717 O LEU A 47 4.191 -7.516 4.871 1.00 0.00 O ATOM 718 CB LEU A 47 3.482 -4.641 4.616 1.00 0.00 C ATOM 719 CG LEU A 47 2.097 -5.249 4.838 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.543 -4.837 6.193 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.148 -4.834 3.723 1.00 0.00 C ATOM 0 H LEU A 47 6.052 -5.782 4.038 1.00 0.00 H new ATOM 0 HA LEU A 47 4.680 -4.679 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.423 -3.571 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.743 -4.756 3.564 1.00 0.00 H new ATOM 0 HG LEU A 47 2.191 -6.335 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.557 -5.279 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.212 -5.185 6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.463 -3.751 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.167 -5.276 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.059 -3.748 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.537 -5.181 2.766 1.00 0.00 H new ATOM 733 N LEU A 48 4.231 -7.007 7.062 1.00 0.00 N ATOM 734 CA LEU A 48 3.955 -8.372 7.497 1.00 0.00 C ATOM 735 C LEU A 48 2.486 -8.723 7.289 1.00 0.00 C ATOM 736 O LEU A 48 1.606 -7.876 7.447 1.00 0.00 O ATOM 737 CB LEU A 48 4.330 -8.545 8.969 1.00 0.00 C ATOM 738 CG LEU A 48 4.413 -9.985 9.476 1.00 0.00 C ATOM 739 CD1 LEU A 48 5.834 -10.513 9.353 1.00 0.00 C ATOM 740 CD2 LEU A 48 3.933 -10.072 10.918 1.00 0.00 C ATOM 0 H LEU A 48 4.341 -6.336 7.823 1.00 0.00 H new ATOM 0 HA LEU A 48 4.560 -9.049 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.295 -8.066 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.599 -8.009 9.575 1.00 0.00 H new ATOM 0 HG LEU A 48 3.762 -10.605 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.874 -11.539 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.142 -10.488 8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.506 -9.891 9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.999 -11.104 11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.558 -9.439 11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.898 -9.735 10.978 1.00 0.00 H new ATOM 752 N VAL A 49 2.226 -9.978 6.937 1.00 0.00 N ATOM 753 CA VAL A 49 0.863 -10.443 6.711 1.00 0.00 C ATOM 754 C VAL A 49 0.645 -11.824 7.319 1.00 0.00 C ATOM 755 O VAL A 49 1.377 -12.767 7.020 1.00 0.00 O ATOM 756 CB VAL A 49 0.530 -10.497 5.208 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.971 -10.630 4.998 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.069 -9.265 4.498 1.00 0.00 C ATOM 0 H VAL A 49 2.942 -10.692 6.802 1.00 0.00 H new ATOM 0 HA VAL A 49 0.200 -9.727 7.197 1.00 0.00 H new ATOM 0 HB VAL A 49 1.012 -11.375 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.187 -10.667 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.325 -11.546 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.478 -9.773 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.825 -9.320 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.618 -8.371 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.151 -9.220 4.619 1.00 0.00 H new ATOM 768 N ARG A 50 -0.367 -11.935 8.174 1.00 0.00 N ATOM 769 CA ARG A 50 -0.681 -13.201 8.825 1.00 0.00 C ATOM 770 C ARG A 50 -2.075 -13.683 8.433 1.00 0.00 C ATOM 771 O ARG A 50 -3.073 -13.027 8.726 1.00 0.00 O ATOM 772 CB ARG A 50 -0.588 -13.054 10.345 1.00 0.00 C ATOM 773 CG ARG A 50 -0.924 -14.329 11.102 1.00 0.00 C ATOM 774 CD ARG A 50 -1.321 -14.035 12.540 1.00 0.00 C ATOM 775 NE ARG A 50 -0.168 -14.033 13.436 1.00 0.00 N ATOM 776 CZ ARG A 50 -0.135 -13.374 14.590 1.00 0.00 C ATOM 777 NH1 ARG A 50 -1.187 -12.669 14.984 1.00 0.00 N ATOM 778 NH2 ARG A 50 0.950 -13.421 15.351 1.00 0.00 N ATOM 0 H ARG A 50 -0.983 -11.164 8.432 1.00 0.00 H new ATOM 0 HA ARG A 50 0.047 -13.942 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.421 -12.739 10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.264 -12.262 10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.738 -14.849 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.063 -14.998 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.819 -13.067 12.588 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.041 -14.781 12.877 1.00 0.00 H new ATOM 0 HE ARG A 50 0.657 -14.566 13.161 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.023 -12.632 14.401 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.160 -12.164 15.870 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.760 -13.963 15.051 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.974 -12.915 16.236 1.00 0.00 H new ATOM 792 N ASN A 51 -2.133 -14.833 7.770 1.00 0.00 N ATOM 793 CA ASN A 51 -3.404 -15.402 7.337 1.00 0.00 C ATOM 794 C ASN A 51 -4.325 -15.645 8.528 1.00 0.00 C ATOM 795 O ASN A 51 -4.044 -16.489 9.381 1.00 0.00 O ATOM 796 CB ASN A 51 -3.170 -16.713 6.583 1.00 0.00 C ATOM 797 CG ASN A 51 -4.459 -17.463 6.314 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.319 -17.577 7.188 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.600 -17.981 5.099 1.00 0.00 N ATOM 0 H ASN A 51 -1.315 -15.389 7.521 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.884 -14.687 6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.672 -16.501 5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.498 -17.347 7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.447 -18.497 4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.862 -17.862 4.405 1.00 0.00 H new ATOM 806 N ILE A 52 -5.425 -14.901 8.581 1.00 0.00 N ATOM 807 CA ILE A 52 -6.388 -15.037 9.666 1.00 0.00 C ATOM 808 C ILE A 52 -7.636 -15.781 9.204 1.00 0.00 C ATOM 809 O ILE A 52 -8.658 -15.787 9.890 1.00 0.00 O ATOM 810 CB ILE A 52 -6.800 -13.664 10.228 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.340 -12.772 9.109 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.620 -12.999 10.921 1.00 0.00 C ATOM 813 CD1 ILE A 52 -7.818 -11.420 9.591 1.00 0.00 C ATOM 0 H ILE A 52 -5.671 -14.198 7.885 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.898 -15.610 10.453 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.591 -13.811 10.963 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.559 -12.627 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.165 -13.284 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.927 -12.029 11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.277 -13.630 11.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.809 -12.861 10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.187 -10.841 8.744 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.621 -11.555 10.316 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.991 -10.888 10.061 1.00 0.00 H new ATOM 825 N GLY A 53 -7.546 -16.410 8.036 1.00 0.00 N ATOM 826 CA GLY A 53 -8.674 -17.150 7.502 1.00 0.00 C ATOM 827 C GLY A 53 -8.676 -18.600 7.942 1.00 0.00 C ATOM 828 O GLY A 53 -7.881 -18.999 8.792 1.00 0.00 O ATOM 0 H GLY A 53 -6.711 -16.420 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.601 -16.675 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.652 -17.104 6.413 1.00 0.00 H new ATOM 832 N ASN A 54 -9.573 -19.391 7.362 1.00 0.00 N ATOM 833 CA ASN A 54 -9.677 -20.806 7.701 1.00 0.00 C ATOM 834 C ASN A 54 -8.939 -21.666 6.679 1.00 0.00 C ATOM 835 O ASN A 54 -8.215 -22.595 7.039 1.00 0.00 O ATOM 836 CB ASN A 54 -11.146 -21.228 7.773 1.00 0.00 C ATOM 837 CG ASN A 54 -11.955 -20.348 8.706 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.518 -20.030 9.812 1.00 0.00 O ATOM 839 ND2 ASN A 54 -13.142 -19.951 8.263 1.00 0.00 N ATOM 0 H ASN A 54 -10.238 -19.076 6.655 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.215 -20.955 8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.581 -21.191 6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.208 -22.263 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.732 -19.358 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.464 -20.239 7.339 1.00 0.00 H new ATOM 846 N LYS A 55 -9.127 -21.349 5.402 1.00 0.00 N ATOM 847 CA LYS A 55 -8.478 -22.090 4.326 1.00 0.00 C ATOM 848 C LYS A 55 -7.370 -21.260 3.686 1.00 0.00 C ATOM 849 O LYS A 55 -7.138 -20.115 4.070 1.00 0.00 O ATOM 850 CB LYS A 55 -9.505 -22.494 3.266 1.00 0.00 C ATOM 851 CG LYS A 55 -9.160 -23.785 2.546 1.00 0.00 C ATOM 852 CD LYS A 55 -10.408 -24.506 2.064 1.00 0.00 C ATOM 853 CE LYS A 55 -10.933 -25.474 3.114 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.249 -26.794 3.042 1.00 0.00 N ATOM 0 H LYS A 55 -9.723 -20.584 5.087 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.034 -22.989 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.481 -22.602 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.593 -21.692 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.514 -23.567 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.598 -24.437 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.180 -23.776 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.184 -25.050 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.792 -25.045 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.005 -25.613 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.635 -27.425 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.405 -27.215 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.229 -26.665 3.199 1.00 0.00 H new ATOM 868 N ASN A 56 -6.690 -21.846 2.706 1.00 0.00 N ATOM 869 CA ASN A 56 -5.606 -21.160 2.011 1.00 0.00 C ATOM 870 C ASN A 56 -6.064 -19.796 1.503 1.00 0.00 C ATOM 871 O ASN A 56 -7.034 -19.696 0.752 1.00 0.00 O ATOM 872 CB ASN A 56 -5.103 -22.010 0.842 1.00 0.00 C ATOM 873 CG ASN A 56 -4.620 -21.165 -0.321 1.00 0.00 C ATOM 874 OD1 ASN A 56 -5.395 -20.812 -1.210 1.00 0.00 O ATOM 875 ND2 ASN A 56 -3.333 -20.837 -0.319 1.00 0.00 N ATOM 0 H ASN A 56 -6.870 -22.794 2.375 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.791 -21.010 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.290 -22.650 1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.904 -22.667 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.950 -20.270 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.728 -21.152 0.439 1.00 0.00 H new ATOM 882 N ALA A 57 -5.358 -18.749 1.917 1.00 0.00 N ATOM 883 CA ALA A 57 -5.689 -17.392 1.502 1.00 0.00 C ATOM 884 C ALA A 57 -4.693 -16.875 0.470 1.00 0.00 C ATOM 885 O ALA A 57 -3.512 -16.693 0.768 1.00 0.00 O ATOM 886 CB ALA A 57 -5.730 -16.466 2.709 1.00 0.00 C ATOM 0 H ALA A 57 -4.553 -18.815 2.540 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.675 -17.411 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.978 -15.456 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.486 -16.817 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.755 -16.461 3.197 1.00 0.00 H new ATOM 892 N VAL A 58 -5.176 -16.641 -0.746 1.00 0.00 N ATOM 893 CA VAL A 58 -4.327 -16.145 -1.823 1.00 0.00 C ATOM 894 C VAL A 58 -4.564 -14.659 -2.069 1.00 0.00 C ATOM 895 O VAL A 58 -5.634 -14.131 -1.764 1.00 0.00 O ATOM 896 CB VAL A 58 -4.574 -16.916 -3.133 1.00 0.00 C ATOM 897 CG1 VAL A 58 -5.164 -18.287 -2.843 1.00 0.00 C ATOM 898 CG2 VAL A 58 -5.485 -16.120 -4.056 1.00 0.00 C ATOM 0 H VAL A 58 -6.150 -16.787 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.295 -16.299 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.618 -17.057 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.332 -18.817 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.472 -18.857 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.112 -18.171 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.649 -16.680 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.441 -15.946 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.019 -15.163 -4.291 1.00 0.00 H new ATOM 908 N PHE A 59 -3.559 -13.988 -2.622 1.00 0.00 N ATOM 909 CA PHE A 59 -3.657 -12.562 -2.908 1.00 0.00 C ATOM 910 C PHE A 59 -2.725 -12.172 -4.053 1.00 0.00 C ATOM 911 O PHE A 59 -1.570 -12.595 -4.100 1.00 0.00 O ATOM 912 CB PHE A 59 -3.319 -11.745 -1.660 1.00 0.00 C ATOM 913 CG PHE A 59 -2.030 -12.155 -1.006 1.00 0.00 C ATOM 914 CD1 PHE A 59 -0.822 -11.634 -1.440 1.00 0.00 C ATOM 915 CD2 PHE A 59 -2.027 -13.060 0.043 1.00 0.00 C ATOM 916 CE1 PHE A 59 0.366 -12.010 -0.840 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.843 -13.439 0.647 1.00 0.00 C ATOM 918 CZ PHE A 59 0.355 -12.913 0.205 1.00 0.00 C ATOM 0 H PHE A 59 -2.667 -14.409 -2.881 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.683 -12.347 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.261 -10.691 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.131 -11.845 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.808 -10.926 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.961 -13.474 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.302 -11.598 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.855 -14.146 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.281 -13.207 0.676 1.00 0.00 H new ATOM 928 N HIS A 60 -3.237 -11.362 -4.974 1.00 0.00 N ATOM 929 CA HIS A 60 -2.452 -10.914 -6.119 1.00 0.00 C ATOM 930 C HIS A 60 -2.579 -9.405 -6.307 1.00 0.00 C ATOM 931 O HIS A 60 -3.590 -8.916 -6.812 1.00 0.00 O ATOM 932 CB HIS A 60 -2.903 -11.638 -7.388 1.00 0.00 C ATOM 933 CG HIS A 60 -2.176 -11.195 -8.620 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.516 -11.619 -9.888 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.121 -10.361 -8.774 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.701 -11.065 -10.768 1.00 0.00 C ATOM 937 NE2 HIS A 60 -0.846 -10.296 -10.118 1.00 0.00 N ATOM 0 H HIS A 60 -4.191 -11.003 -4.950 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.406 -11.152 -5.927 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.758 -12.710 -7.256 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.972 -11.476 -7.529 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.594 -9.843 -7.987 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.729 -11.215 -11.837 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.102 -9.744 -10.545 1.00 0.00 H new ATOM 946 N ILE A 61 -1.547 -8.674 -5.898 1.00 0.00 N ATOM 947 CA ILE A 61 -1.544 -7.222 -6.023 1.00 0.00 C ATOM 948 C ILE A 61 -1.119 -6.791 -7.422 1.00 0.00 C ATOM 949 O ILE A 61 -0.227 -7.389 -8.024 1.00 0.00 O ATOM 950 CB ILE A 61 -0.605 -6.571 -4.990 1.00 0.00 C ATOM 951 CG1 ILE A 61 -0.791 -7.221 -3.618 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.861 -5.073 -4.911 1.00 0.00 C ATOM 953 CD1 ILE A 61 0.444 -7.158 -2.747 1.00 0.00 C ATOM 0 H ILE A 61 -0.703 -9.063 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.564 -6.887 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 61 0.425 -6.728 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.616 -6.730 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.076 -8.264 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.190 -4.627 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.683 -4.621 -5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.894 -4.896 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.239 -7.638 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.266 -7.674 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.718 -6.116 -2.579 1.00 0.00 H new ATOM 965 N LYS A 62 -1.762 -5.748 -7.935 1.00 0.00 N ATOM 966 CA LYS A 62 -1.450 -5.233 -9.263 1.00 0.00 C ATOM 967 C LYS A 62 -1.226 -3.725 -9.223 1.00 0.00 C ATOM 968 O LYS A 62 -2.068 -2.973 -8.730 1.00 0.00 O ATOM 969 CB LYS A 62 -2.580 -5.565 -10.240 1.00 0.00 C ATOM 970 CG LYS A 62 -2.460 -6.946 -10.862 1.00 0.00 C ATOM 971 CD LYS A 62 -1.331 -7.004 -11.877 1.00 0.00 C ATOM 972 CE LYS A 62 -1.564 -8.099 -12.907 1.00 0.00 C ATOM 973 NZ LYS A 62 -2.569 -7.695 -13.929 1.00 0.00 N ATOM 0 H LYS A 62 -2.503 -5.242 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.531 -5.711 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.534 -5.493 -9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.594 -4.818 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.285 -7.685 -10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.400 -7.211 -11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.243 -6.041 -12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.387 -7.182 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.622 -8.340 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.902 -9.005 -12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.071 -8.538 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.251 -7.035 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.087 -7.229 -14.724 1.00 0.00 H new ATOM 987 N THR A 63 -0.084 -3.286 -9.746 1.00 0.00 N ATOM 988 CA THR A 63 0.250 -1.868 -9.770 1.00 0.00 C ATOM 989 C THR A 63 1.427 -1.597 -10.701 1.00 0.00 C ATOM 990 O THR A 63 2.143 -2.517 -11.096 1.00 0.00 O ATOM 991 CB THR A 63 0.595 -1.348 -8.361 1.00 0.00 C ATOM 992 OG1 THR A 63 0.477 0.078 -8.323 1.00 0.00 O ATOM 993 CG2 THR A 63 2.005 -1.757 -7.963 1.00 0.00 C ATOM 0 H THR A 63 0.624 -3.893 -10.158 1.00 0.00 H new ATOM 0 HA THR A 63 -0.631 -1.342 -10.138 1.00 0.00 H new ATOM 0 HB THR A 63 -0.107 -1.789 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.538 0.387 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.226 -1.379 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.082 -2.844 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.719 -1.342 -8.674 1.00 0.00 H new ATOM 1001 N CYS A 64 1.620 -0.329 -11.047 1.00 0.00 N ATOM 1002 CA CYS A 64 2.711 0.063 -11.933 1.00 0.00 C ATOM 1003 C CYS A 64 3.467 1.261 -11.367 1.00 0.00 C ATOM 1004 O CYS A 64 2.950 1.989 -10.519 1.00 0.00 O ATOM 1005 CB CYS A 64 2.171 0.397 -13.324 1.00 0.00 C ATOM 1006 SG CYS A 64 1.031 1.800 -13.357 1.00 0.00 S ATOM 0 H CYS A 64 1.036 0.444 -10.728 1.00 0.00 H new ATOM 0 HA CYS A 64 3.402 -0.776 -12.011 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.010 0.609 -13.986 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.662 -0.480 -13.725 1.00 0.00 H new ATOM 0 HG CYS A 64 0.631 2.006 -14.577 1.00 0.00 H new ATOM 1012 N ARG A 65 4.692 1.459 -11.840 1.00 0.00 N ATOM 1013 CA ARG A 65 5.521 2.566 -11.379 1.00 0.00 C ATOM 1014 C ARG A 65 4.767 3.889 -11.485 1.00 0.00 C ATOM 1015 O ARG A 65 3.825 4.035 -12.265 1.00 0.00 O ATOM 1016 CB ARG A 65 6.814 2.637 -12.193 1.00 0.00 C ATOM 1017 CG ARG A 65 6.724 3.555 -13.402 1.00 0.00 C ATOM 1018 CD ARG A 65 7.894 3.345 -14.349 1.00 0.00 C ATOM 1019 NE ARG A 65 7.921 4.342 -15.416 1.00 0.00 N ATOM 1020 CZ ARG A 65 8.514 4.148 -16.588 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.128 3.001 -16.843 1.00 0.00 N ATOM 1022 NH2 ARG A 65 8.495 5.103 -17.509 1.00 0.00 N ATOM 0 H ARG A 65 5.133 0.867 -12.543 1.00 0.00 H new ATOM 0 HA ARG A 65 5.769 2.391 -10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.622 2.980 -11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.078 1.634 -12.528 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.789 3.371 -13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.704 4.593 -13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.827 3.390 -13.788 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.832 2.348 -14.786 1.00 0.00 H new ATOM 0 HE ARG A 65 7.459 5.236 -15.252 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.146 2.264 -16.138 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.583 2.855 -17.744 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.024 5.987 -17.317 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.951 4.953 -18.409 1.00 0.00 H new ATOM 1036 N PRO A 66 5.190 4.877 -10.683 1.00 0.00 N ATOM 1037 CA PRO A 66 6.310 4.715 -9.751 1.00 0.00 C ATOM 1038 C PRO A 66 5.969 3.787 -8.590 1.00 0.00 C ATOM 1039 O PRO A 66 6.796 3.547 -7.710 1.00 0.00 O ATOM 1040 CB PRO A 66 6.557 6.138 -9.242 1.00 0.00 C ATOM 1041 CG PRO A 66 5.247 6.830 -9.402 1.00 0.00 C ATOM 1042 CD PRO A 66 4.607 6.228 -10.623 1.00 0.00 C ATOM 0 HA PRO A 66 7.177 4.262 -10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.879 6.136 -8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.339 6.634 -9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.620 6.687 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.385 7.904 -9.523 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.521 6.193 -10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.833 6.804 -11.521 1.00 0.00 H new ATOM 1050 N PHE A 67 4.747 3.265 -8.595 1.00 0.00 N ATOM 1051 CA PHE A 67 4.296 2.363 -7.542 1.00 0.00 C ATOM 1052 C PHE A 67 4.499 0.906 -7.951 1.00 0.00 C ATOM 1053 O PHE A 67 4.124 0.501 -9.052 1.00 0.00 O ATOM 1054 CB PHE A 67 2.821 2.614 -7.222 1.00 0.00 C ATOM 1055 CG PHE A 67 2.608 3.630 -6.137 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.028 3.377 -4.841 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.987 4.838 -6.413 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.833 4.311 -3.840 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.791 5.775 -5.416 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.213 5.510 -4.128 1.00 0.00 C ATOM 0 H PHE A 67 4.051 3.451 -9.317 1.00 0.00 H new ATOM 0 HA PHE A 67 4.892 2.559 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.313 2.948 -8.127 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.357 1.674 -6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.513 2.440 -4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.653 5.049 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.166 4.102 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.308 6.714 -5.644 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.058 6.240 -3.347 1.00 0.00 H new ATOM 1070 N SER A 68 5.095 0.124 -7.057 1.00 0.00 N ATOM 1071 CA SER A 68 5.351 -1.286 -7.325 1.00 0.00 C ATOM 1072 C SER A 68 5.656 -2.038 -6.033 1.00 0.00 C ATOM 1073 O SER A 68 6.039 -1.437 -5.028 1.00 0.00 O ATOM 1074 CB SER A 68 6.518 -1.436 -8.303 1.00 0.00 C ATOM 1075 OG SER A 68 7.257 -2.616 -8.038 1.00 0.00 O ATOM 0 H SER A 68 5.410 0.443 -6.141 1.00 0.00 H new ATOM 0 HA SER A 68 4.454 -1.715 -7.771 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.139 -1.462 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.173 -0.568 -8.228 1.00 0.00 H new ATOM 0 HG SER A 68 7.996 -2.690 -8.677 1.00 0.00 H new ATOM 1081 N ILE A 69 5.484 -3.355 -6.067 1.00 0.00 N ATOM 1082 CA ILE A 69 5.742 -4.189 -4.900 1.00 0.00 C ATOM 1083 C ILE A 69 6.164 -5.595 -5.313 1.00 0.00 C ATOM 1084 O ILE A 69 5.993 -5.992 -6.465 1.00 0.00 O ATOM 1085 CB ILE A 69 4.502 -4.283 -3.991 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.550 -5.367 -4.501 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.794 -2.939 -3.921 1.00 0.00 C ATOM 1088 CD1 ILE A 69 3.178 -5.209 -5.958 1.00 0.00 C ATOM 0 H ILE A 69 5.167 -3.867 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 69 6.553 -3.717 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 69 4.826 -4.554 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.013 -6.343 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.641 -5.353 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.920 -3.021 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.475 -2.190 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.479 -2.641 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.501 -6.012 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.685 -4.248 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.079 -5.253 -6.570 1.00 0.00 H new ATOM 1100 N GLU A 70 6.714 -6.344 -4.362 1.00 0.00 N ATOM 1101 CA GLU A 70 7.160 -7.707 -4.627 1.00 0.00 C ATOM 1102 C GLU A 70 7.236 -8.516 -3.335 1.00 0.00 C ATOM 1103 O GLU A 70 7.707 -8.039 -2.302 1.00 0.00 O ATOM 1104 CB GLU A 70 8.526 -7.696 -5.316 1.00 0.00 C ATOM 1105 CG GLU A 70 9.382 -8.909 -4.991 1.00 0.00 C ATOM 1106 CD GLU A 70 10.398 -9.213 -6.075 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.053 -9.953 -7.020 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.538 -8.713 -5.977 1.00 0.00 O ATOM 0 H GLU A 70 6.861 -6.030 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 70 6.432 -8.178 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.379 -7.644 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.063 -6.794 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.902 -8.740 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.737 -9.776 -4.849 1.00 0.00 H new ATOM 1115 N PRO A 71 6.762 -9.769 -3.393 1.00 0.00 N ATOM 1116 CA PRO A 71 6.200 -10.347 -4.617 1.00 0.00 C ATOM 1117 C PRO A 71 4.862 -9.719 -4.993 1.00 0.00 C ATOM 1118 O PRO A 71 4.087 -9.320 -4.124 1.00 0.00 O ATOM 1119 CB PRO A 71 6.016 -11.824 -4.260 1.00 0.00 C ATOM 1120 CG PRO A 71 5.877 -11.841 -2.777 1.00 0.00 C ATOM 1121 CD PRO A 71 6.739 -10.719 -2.268 1.00 0.00 C ATOM 0 HA PRO A 71 6.845 -10.180 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.134 -12.242 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.870 -12.419 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.838 -11.700 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.199 -12.798 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.320 -10.267 -1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.741 -11.065 -2.014 1.00 0.00 H new ATOM 1129 N ALA A 72 4.597 -9.636 -6.292 1.00 0.00 N ATOM 1130 CA ALA A 72 3.351 -9.059 -6.782 1.00 0.00 C ATOM 1131 C ALA A 72 2.160 -9.940 -6.424 1.00 0.00 C ATOM 1132 O ALA A 72 1.036 -9.455 -6.286 1.00 0.00 O ATOM 1133 CB ALA A 72 3.422 -8.850 -8.288 1.00 0.00 C ATOM 0 H ALA A 72 5.228 -9.961 -7.024 1.00 0.00 H new ATOM 0 HA ALA A 72 3.212 -8.092 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.485 -8.419 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.244 -8.174 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.588 -9.808 -8.781 1.00 0.00 H new ATOM 1139 N ILE A 73 2.412 -11.237 -6.276 1.00 0.00 N ATOM 1140 CA ILE A 73 1.359 -12.185 -5.933 1.00 0.00 C ATOM 1141 C ILE A 73 1.903 -13.324 -5.078 1.00 0.00 C ATOM 1142 O ILE A 73 3.061 -13.716 -5.211 1.00 0.00 O ATOM 1143 CB ILE A 73 0.701 -12.774 -7.195 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.360 -13.807 -6.807 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.753 -13.401 -8.098 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.139 -14.345 -7.987 1.00 0.00 C ATOM 0 H ILE A 73 3.336 -11.655 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 73 0.609 -11.634 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 73 0.214 -11.968 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.124 -14.637 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.055 -13.354 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.272 -13.813 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.476 -12.642 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.266 -14.198 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.873 -15.072 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.651 -13.524 -8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.455 -14.827 -8.685 1.00 0.00 H new ATOM 1158 N GLY A 74 1.057 -13.853 -4.199 1.00 0.00 N ATOM 1159 CA GLY A 74 1.470 -14.943 -3.335 1.00 0.00 C ATOM 1160 C GLY A 74 0.380 -15.361 -2.368 1.00 0.00 C ATOM 1161 O GLY A 74 -0.507 -14.572 -2.040 1.00 0.00 O ATOM 0 H GLY A 74 0.093 -13.546 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.757 -15.799 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.354 -14.642 -2.773 1.00 0.00 H new ATOM 1165 N THR A 75 0.443 -16.608 -1.910 1.00 0.00 N ATOM 1166 CA THR A 75 -0.547 -17.131 -0.977 1.00 0.00 C ATOM 1167 C THR A 75 0.037 -17.271 0.424 1.00 0.00 C ATOM 1168 O THR A 75 1.248 -17.425 0.590 1.00 0.00 O ATOM 1169 CB THR A 75 -1.083 -18.500 -1.437 1.00 0.00 C ATOM 1170 OG1 THR A 75 -0.039 -19.479 -1.381 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.634 -18.418 -2.852 1.00 0.00 C ATOM 0 H THR A 75 1.170 -17.274 -2.171 1.00 0.00 H new ATOM 0 HA THR A 75 -1.369 -16.416 -0.954 1.00 0.00 H new ATOM 0 HB THR A 75 -1.891 -18.793 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.388 -20.347 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.007 -19.397 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.448 -17.694 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.843 -18.105 -3.533 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.830 -17.216 1.429 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.399 -17.338 2.818 1.00 0.00 C ATOM 1181 C LEU A 76 -1.232 -18.380 3.557 1.00 0.00 C ATOM 1182 O LEU A 76 -2.460 -18.375 3.481 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.508 -15.986 3.526 1.00 0.00 C ATOM 1184 CG LEU A 76 -0.085 -15.963 4.995 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.370 -16.382 5.139 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.305 -14.580 5.591 1.00 0.00 C ATOM 0 H LEU A 76 -1.835 -17.088 1.309 1.00 0.00 H new ATOM 0 HA LEU A 76 0.642 -17.662 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.100 -15.263 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.542 -15.646 3.461 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.702 -16.676 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.653 -16.359 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.498 -17.392 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.004 -15.695 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.001 -14.582 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.287 -13.848 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.361 -14.318 5.523 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.555 -19.272 4.272 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.232 -20.321 5.027 1.00 0.00 C ATOM 1200 C ASN A 77 -1.699 -19.800 6.383 1.00 0.00 C ATOM 1201 O ASN A 77 -1.047 -18.951 6.992 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.303 -21.520 5.221 1.00 0.00 C ATOM 1203 CG ASN A 77 0.227 -22.060 3.907 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.534 -22.299 2.969 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.539 -22.254 3.833 1.00 0.00 N ATOM 0 H ASN A 77 0.462 -19.290 4.345 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.106 -20.637 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.534 -21.228 5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.840 -22.311 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.954 -22.615 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.132 -22.042 4.635 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.832 -20.315 6.850 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.386 -19.903 8.135 1.00 0.00 C ATOM 1214 C VAL A 78 -2.361 -20.066 9.252 1.00 0.00 C ATOM 1215 O VAL A 78 -1.600 -21.032 9.275 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.647 -20.714 8.488 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.187 -20.297 9.847 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.707 -20.547 7.410 1.00 0.00 C ATOM 0 H VAL A 78 -3.384 -21.018 6.358 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.654 -18.851 8.042 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.377 -21.769 8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.078 -20.881 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.428 -20.473 10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.442 -19.238 9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.591 -21.127 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.976 -19.494 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.315 -20.900 6.456 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.348 -19.112 10.179 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.413 -19.168 11.287 1.00 0.00 C ATOM 1230 C GLY A 79 -0.038 -18.650 10.913 1.00 0.00 C ATOM 1231 O GLY A 79 0.591 -17.929 11.686 1.00 0.00 O ATOM 0 H GLY A 79 -2.968 -18.302 10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.805 -18.582 12.119 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.328 -20.198 11.635 1.00 0.00 H new ATOM 1235 N GLU A 80 0.429 -19.021 9.725 1.00 0.00 N ATOM 1236 CA GLU A 80 1.739 -18.591 9.252 1.00 0.00 C ATOM 1237 C GLU A 80 1.693 -17.147 8.759 1.00 0.00 C ATOM 1238 O GLU A 80 0.643 -16.655 8.346 1.00 0.00 O ATOM 1239 CB GLU A 80 2.227 -19.509 8.129 1.00 0.00 C ATOM 1240 CG GLU A 80 2.692 -20.871 8.615 1.00 0.00 C ATOM 1241 CD GLU A 80 3.615 -20.778 9.815 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.503 -19.900 9.815 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.449 -21.584 10.754 1.00 0.00 O ATOM 0 H GLU A 80 -0.080 -19.618 9.073 1.00 0.00 H new ATOM 0 HA GLU A 80 2.436 -18.649 10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.422 -19.646 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.047 -19.021 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.823 -21.476 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.207 -21.386 7.804 1.00 0.00 H new ATOM 1250 N SER A 81 2.838 -16.475 8.808 1.00 0.00 N ATOM 1251 CA SER A 81 2.928 -15.086 8.372 1.00 0.00 C ATOM 1252 C SER A 81 3.978 -14.928 7.276 1.00 0.00 C ATOM 1253 O SER A 81 4.644 -15.891 6.896 1.00 0.00 O ATOM 1254 CB SER A 81 3.270 -14.179 9.555 1.00 0.00 C ATOM 1255 OG SER A 81 2.391 -14.408 10.643 1.00 0.00 O ATOM 0 H SER A 81 3.716 -16.869 9.145 1.00 0.00 H new ATOM 0 HA SER A 81 1.959 -14.794 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.298 -14.358 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.209 -13.135 9.247 1.00 0.00 H new ATOM 0 HG SER A 81 2.631 -13.818 11.387 1.00 0.00 H new ATOM 1261 N MET A 82 4.119 -13.706 6.772 1.00 0.00 N ATOM 1262 CA MET A 82 5.089 -13.421 5.721 1.00 0.00 C ATOM 1263 C MET A 82 5.324 -11.920 5.591 1.00 0.00 C ATOM 1264 O MET A 82 4.566 -11.115 6.133 1.00 0.00 O ATOM 1265 CB MET A 82 4.607 -13.991 4.385 1.00 0.00 C ATOM 1266 CG MET A 82 3.299 -13.386 3.903 1.00 0.00 C ATOM 1267 SD MET A 82 2.514 -14.368 2.610 1.00 0.00 S ATOM 1268 CE MET A 82 3.531 -13.942 1.198 1.00 0.00 C ATOM 0 H MET A 82 3.574 -12.898 7.074 1.00 0.00 H new ATOM 0 HA MET A 82 6.032 -13.896 5.992 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.375 -13.824 3.630 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.485 -15.070 4.482 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.615 -13.290 4.746 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.485 -12.380 3.527 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.035 -14.264 0.282 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.681 -12.863 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.497 -14.440 1.282 1.00 0.00 H new ATOM 1278 N GLN A 83 6.378 -11.550 4.871 1.00 0.00 N ATOM 1279 CA GLN A 83 6.712 -10.145 4.672 1.00 0.00 C ATOM 1280 C GLN A 83 6.482 -9.731 3.222 1.00 0.00 C ATOM 1281 O GLN A 83 6.800 -10.476 2.294 1.00 0.00 O ATOM 1282 CB GLN A 83 8.168 -9.885 5.064 1.00 0.00 C ATOM 1283 CG GLN A 83 8.366 -9.667 6.556 1.00 0.00 C ATOM 1284 CD GLN A 83 9.807 -9.856 6.986 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.398 -10.915 6.771 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.382 -8.828 7.599 1.00 0.00 N ATOM 0 H GLN A 83 7.015 -12.204 4.416 1.00 0.00 H new ATOM 0 HA GLN A 83 6.059 -9.548 5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.778 -10.730 4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.530 -9.009 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.041 -8.660 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.732 -10.361 7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.855 -7.969 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.350 -8.898 7.912 1.00 0.00 H new ATOM 1295 N LEU A 84 5.929 -8.538 3.034 1.00 0.00 N ATOM 1296 CA LEU A 84 5.655 -8.024 1.696 1.00 0.00 C ATOM 1297 C LEU A 84 6.393 -6.711 1.456 1.00 0.00 C ATOM 1298 O LEU A 84 6.139 -5.713 2.130 1.00 0.00 O ATOM 1299 CB LEU A 84 4.152 -7.819 1.504 1.00 0.00 C ATOM 1300 CG LEU A 84 3.292 -9.084 1.541 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.817 -8.724 1.625 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.564 -9.948 0.318 1.00 0.00 C ATOM 0 H LEU A 84 5.661 -7.908 3.791 1.00 0.00 H new ATOM 0 HA LEU A 84 6.010 -8.758 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.796 -7.139 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.993 -7.323 0.547 1.00 0.00 H new ATOM 0 HG LEU A 84 3.556 -9.655 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.221 -9.636 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.635 -8.146 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.537 -8.132 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.944 -10.844 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.328 -9.385 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.615 -10.235 0.302 1.00 0.00 H new ATOM 1314 N GLU A 85 7.307 -6.719 0.491 1.00 0.00 N ATOM 1315 CA GLU A 85 8.080 -5.528 0.162 1.00 0.00 C ATOM 1316 C GLU A 85 7.322 -4.641 -0.822 1.00 0.00 C ATOM 1317 O GLU A 85 6.684 -5.132 -1.754 1.00 0.00 O ATOM 1318 CB GLU A 85 9.436 -5.920 -0.429 1.00 0.00 C ATOM 1319 CG GLU A 85 10.440 -6.391 0.610 1.00 0.00 C ATOM 1320 CD GLU A 85 11.570 -7.200 0.004 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.347 -7.835 -1.048 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.677 -7.198 0.582 1.00 0.00 O ATOM 0 H GLU A 85 7.530 -7.537 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 85 8.241 -4.966 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.288 -6.712 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.852 -5.065 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.854 -5.526 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.927 -6.995 1.358 1.00 0.00 H new ATOM 1329 N VAL A 86 7.396 -3.331 -0.608 1.00 0.00 N ATOM 1330 CA VAL A 86 6.717 -2.375 -1.475 1.00 0.00 C ATOM 1331 C VAL A 86 7.661 -1.259 -1.906 1.00 0.00 C ATOM 1332 O VAL A 86 8.227 -0.554 -1.071 1.00 0.00 O ATOM 1333 CB VAL A 86 5.492 -1.756 -0.776 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.938 -0.600 -1.596 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.424 -2.812 -0.539 1.00 0.00 C ATOM 0 H VAL A 86 7.919 -2.908 0.158 1.00 0.00 H new ATOM 0 HA VAL A 86 6.384 -2.925 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 86 5.806 -1.366 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.073 -0.175 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.705 0.166 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.639 -0.962 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.566 -2.357 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.111 -3.234 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.829 -3.604 0.092 1.00 0.00 H new ATOM 1345 N GLU A 87 7.826 -1.104 -3.216 1.00 0.00 N ATOM 1346 CA GLU A 87 8.702 -0.072 -3.758 1.00 0.00 C ATOM 1347 C GLU A 87 7.891 1.095 -4.313 1.00 0.00 C ATOM 1348 O GLU A 87 6.854 0.899 -4.948 1.00 0.00 O ATOM 1349 CB GLU A 87 9.594 -0.655 -4.857 1.00 0.00 C ATOM 1350 CG GLU A 87 10.888 0.115 -5.062 1.00 0.00 C ATOM 1351 CD GLU A 87 11.701 -0.412 -6.228 1.00 0.00 C ATOM 1352 OE1 GLU A 87 12.185 -1.561 -6.143 1.00 0.00 O ATOM 1353 OE2 GLU A 87 11.855 0.323 -7.226 1.00 0.00 O ATOM 0 H GLU A 87 7.365 -1.679 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 87 9.330 0.298 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.832 -1.690 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.038 -0.671 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.658 1.167 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.487 0.061 -4.153 1.00 0.00 H new ATOM 1360 N PHE A 88 8.369 2.310 -4.068 1.00 0.00 N ATOM 1361 CA PHE A 88 7.688 3.510 -4.541 1.00 0.00 C ATOM 1362 C PHE A 88 8.666 4.674 -4.673 1.00 0.00 C ATOM 1363 O PHE A 88 9.124 5.229 -3.675 1.00 0.00 O ATOM 1364 CB PHE A 88 6.554 3.888 -3.586 1.00 0.00 C ATOM 1365 CG PHE A 88 6.252 5.359 -3.566 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.393 5.917 -4.499 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.829 6.185 -2.615 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.113 7.270 -4.483 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.553 7.539 -2.594 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.695 8.083 -3.530 1.00 0.00 C ATOM 0 H PHE A 88 9.226 2.490 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 88 7.270 3.296 -5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.653 3.344 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.816 3.565 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.937 5.287 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.502 5.766 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.440 7.691 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.008 8.172 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.480 9.141 -3.517 1.00 0.00 H new ATOM 1380 N GLU A 89 8.980 5.037 -5.913 1.00 0.00 N ATOM 1381 CA GLU A 89 9.904 6.134 -6.176 1.00 0.00 C ATOM 1382 C GLU A 89 9.199 7.278 -6.898 1.00 0.00 C ATOM 1383 O GLU A 89 8.956 7.229 -8.104 1.00 0.00 O ATOM 1384 CB GLU A 89 11.089 5.643 -7.010 1.00 0.00 C ATOM 1385 CG GLU A 89 12.067 6.744 -7.385 1.00 0.00 C ATOM 1386 CD GLU A 89 12.804 6.453 -8.678 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.168 6.512 -9.751 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.019 6.168 -8.617 1.00 0.00 O ATOM 0 H GLU A 89 8.609 4.588 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 89 10.271 6.503 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.620 4.871 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.713 5.177 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.528 7.686 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.790 6.872 -6.580 1.00 0.00 H new ATOM 1395 N PRO A 90 8.862 8.335 -6.144 1.00 0.00 N ATOM 1396 CA PRO A 90 8.180 9.512 -6.690 1.00 0.00 C ATOM 1397 C PRO A 90 9.082 10.331 -7.607 1.00 0.00 C ATOM 1398 O PRO A 90 9.734 11.277 -7.167 1.00 0.00 O ATOM 1399 CB PRO A 90 7.811 10.319 -5.443 1.00 0.00 C ATOM 1400 CG PRO A 90 8.808 9.905 -4.416 1.00 0.00 C ATOM 1401 CD PRO A 90 9.120 8.462 -4.700 1.00 0.00 C ATOM 0 HA PRO A 90 7.323 9.237 -7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.862 11.391 -5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.794 10.102 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.707 10.518 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.406 10.027 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.153 8.218 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.487 7.792 -4.118 1.00 0.00 H new ATOM 1409 N GLN A 91 9.113 9.961 -8.883 1.00 0.00 N ATOM 1410 CA GLN A 91 9.936 10.662 -9.862 1.00 0.00 C ATOM 1411 C GLN A 91 9.734 12.171 -9.762 1.00 0.00 C ATOM 1412 O GLN A 91 10.688 12.942 -9.855 1.00 0.00 O ATOM 1413 CB GLN A 91 9.603 10.184 -11.276 1.00 0.00 C ATOM 1414 CG GLN A 91 10.780 10.256 -12.235 1.00 0.00 C ATOM 1415 CD GLN A 91 11.609 11.511 -12.049 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.404 12.511 -12.738 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.551 11.467 -11.115 1.00 0.00 N ATOM 0 H GLN A 91 8.578 9.180 -9.263 1.00 0.00 H new ATOM 0 HA GLN A 91 10.981 10.438 -9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.246 9.155 -11.228 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.785 10.787 -11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.415 9.382 -12.091 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.411 10.217 -13.260 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.687 10.617 -10.567 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.139 12.283 -10.945 1.00 0.00 H new ATOM 1426 N SER A 92 8.485 12.584 -9.571 1.00 0.00 N ATOM 1427 CA SER A 92 8.157 14.001 -9.462 1.00 0.00 C ATOM 1428 C SER A 92 8.000 14.412 -8.001 1.00 0.00 C ATOM 1429 O SER A 92 7.239 13.801 -7.251 1.00 0.00 O ATOM 1430 CB SER A 92 6.871 14.308 -10.231 1.00 0.00 C ATOM 1431 OG SER A 92 7.015 14.007 -11.608 1.00 0.00 O ATOM 0 H SER A 92 7.684 11.958 -9.489 1.00 0.00 H new ATOM 0 HA SER A 92 8.977 14.573 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.047 13.729 -9.813 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.614 15.360 -10.111 1.00 0.00 H new ATOM 0 HG SER A 92 6.179 14.211 -12.077 1.00 0.00 H new ATOM 1437 N VAL A 93 8.726 15.452 -7.604 1.00 0.00 N ATOM 1438 CA VAL A 93 8.668 15.946 -6.234 1.00 0.00 C ATOM 1439 C VAL A 93 7.285 16.499 -5.908 1.00 0.00 C ATOM 1440 O VAL A 93 6.726 17.290 -6.666 1.00 0.00 O ATOM 1441 CB VAL A 93 9.719 17.046 -5.989 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.569 18.164 -7.009 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.603 17.586 -4.572 1.00 0.00 C ATOM 0 H VAL A 93 9.361 15.969 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 93 8.881 15.099 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 93 10.711 16.610 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.319 18.932 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.706 17.762 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.574 18.601 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.352 18.362 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.609 18.007 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.765 16.777 -3.860 1.00 0.00 H new ATOM 1453 N GLY A 94 6.738 16.077 -4.771 1.00 0.00 N ATOM 1454 CA GLY A 94 5.425 16.540 -4.363 1.00 0.00 C ATOM 1455 C GLY A 94 4.668 15.501 -3.558 1.00 0.00 C ATOM 1456 O GLY A 94 5.213 14.913 -2.624 1.00 0.00 O ATOM 0 H GLY A 94 7.181 15.423 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.532 17.448 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.845 16.803 -5.247 1.00 0.00 H new ATOM 1460 N ASP A 95 3.410 15.277 -3.920 1.00 0.00 N ATOM 1461 CA ASP A 95 2.577 14.303 -3.224 1.00 0.00 C ATOM 1462 C ASP A 95 2.106 13.210 -4.178 1.00 0.00 C ATOM 1463 O ASP A 95 1.442 13.488 -5.178 1.00 0.00 O ATOM 1464 CB ASP A 95 1.371 14.995 -2.586 1.00 0.00 C ATOM 1465 CG ASP A 95 0.791 16.080 -3.471 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.292 15.748 -4.567 1.00 0.00 O ATOM 1467 OD2 ASP A 95 0.837 17.262 -3.069 1.00 0.00 O ATOM 0 H ASP A 95 2.945 15.756 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 95 3.178 13.842 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.601 14.253 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.668 15.429 -1.631 1.00 0.00 H new ATOM 1472 N HIS A 96 2.455 11.966 -3.864 1.00 0.00 N ATOM 1473 CA HIS A 96 2.068 10.831 -4.694 1.00 0.00 C ATOM 1474 C HIS A 96 1.352 9.770 -3.864 1.00 0.00 C ATOM 1475 O HIS A 96 1.948 9.150 -2.984 1.00 0.00 O ATOM 1476 CB HIS A 96 3.299 10.223 -5.369 1.00 0.00 C ATOM 1477 CG HIS A 96 3.895 11.099 -6.428 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.648 10.926 -7.773 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.730 12.159 -6.333 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.307 11.842 -8.460 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.972 12.603 -7.609 1.00 0.00 N ATOM 0 H HIS A 96 3.005 11.719 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 96 1.382 11.190 -5.461 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.055 10.018 -4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.025 9.266 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.132 12.578 -5.422 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.303 11.950 -9.535 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.568 13.392 -7.859 1.00 0.00 H new ATOM 1490 N SER A 97 0.070 9.567 -4.151 1.00 0.00 N ATOM 1491 CA SER A 97 -0.729 8.585 -3.428 1.00 0.00 C ATOM 1492 C SER A 97 -1.672 7.849 -4.375 1.00 0.00 C ATOM 1493 O SER A 97 -2.006 8.348 -5.448 1.00 0.00 O ATOM 1494 CB SER A 97 -1.531 9.266 -2.318 1.00 0.00 C ATOM 1495 OG SER A 97 -2.757 8.593 -2.088 1.00 0.00 O ATOM 0 H SER A 97 -0.437 10.070 -4.879 1.00 0.00 H new ATOM 0 HA SER A 97 -0.050 7.858 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.944 9.284 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.727 10.303 -2.591 1.00 0.00 H new ATOM 0 HG SER A 97 -2.589 7.773 -1.578 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.097 6.656 -3.967 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.997 5.869 -4.790 1.00 0.00 C ATOM 1503 C GLY A 98 -3.754 4.828 -3.989 1.00 0.00 C ATOM 1504 O GLY A 98 -4.435 5.157 -3.018 1.00 0.00 O ATOM 0 H GLY A 98 -1.834 6.221 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.708 6.532 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.427 5.374 -5.576 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.635 3.569 -4.397 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.315 2.476 -3.712 1.00 0.00 C ATOM 1510 C ARG A 99 -3.788 1.125 -4.186 1.00 0.00 C ATOM 1511 O ARG A 99 -3.203 1.019 -5.265 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.824 2.559 -3.949 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.287 1.815 -5.190 1.00 0.00 C ATOM 1514 CD ARG A 99 -7.542 2.440 -5.779 1.00 0.00 C ATOM 1515 NE ARG A 99 -7.235 3.587 -6.629 1.00 0.00 N ATOM 1516 CZ ARG A 99 -8.097 4.565 -6.884 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -9.313 4.536 -6.357 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -7.743 5.576 -7.668 1.00 0.00 N ATOM 0 H ARG A 99 -3.074 3.280 -5.199 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.116 2.569 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.343 2.156 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.113 3.607 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.492 1.820 -5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.482 0.772 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.081 1.692 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.204 2.754 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.308 3.640 -7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.589 3.761 -5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.973 5.288 -6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.808 5.602 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.406 6.326 -7.863 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.999 0.096 -3.374 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.545 -1.249 -3.710 1.00 0.00 C ATOM 1534 C LEU A 100 -4.717 -2.224 -3.756 1.00 0.00 C ATOM 1535 O LEU A 100 -5.360 -2.485 -2.738 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.508 -1.728 -2.692 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.159 -1.009 -2.719 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.229 -1.579 -1.660 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.527 -1.114 -4.099 1.00 0.00 C ATOM 0 H LEU A 100 -4.482 0.167 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.086 -1.214 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.933 -1.623 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.333 -2.792 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.326 0.045 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.726 -1.055 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.678 -1.451 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.068 -2.640 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.432 -0.597 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.374 -2.164 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.186 -0.657 -4.837 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.988 -2.761 -4.941 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.081 -3.709 -5.118 1.00 0.00 C ATOM 1553 C ILE A 101 -5.599 -5.144 -4.930 1.00 0.00 C ATOM 1554 O ILE A 101 -4.969 -5.720 -5.816 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.724 -3.574 -6.510 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.284 -2.163 -6.703 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -7.820 -4.614 -6.691 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.456 -1.774 -8.154 1.00 0.00 C ATOM 0 H ILE A 101 -4.466 -2.556 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.827 -3.476 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.958 -3.747 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.248 -2.092 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.618 -1.448 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.265 -4.505 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.394 -5.612 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.587 -4.470 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.857 -0.762 -8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.490 -1.813 -8.658 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.145 -2.467 -8.637 1.00 0.00 H new ATOM 1570 N VAL A 102 -5.902 -5.717 -3.769 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.503 -7.086 -3.465 1.00 0.00 C ATOM 1572 C VAL A 102 -6.640 -8.064 -3.739 1.00 0.00 C ATOM 1573 O VAL A 102 -7.574 -8.183 -2.945 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.060 -7.228 -1.996 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.351 -8.556 -1.779 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.167 -6.065 -1.594 1.00 0.00 C ATOM 0 H VAL A 102 -6.422 -5.254 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.661 -7.322 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.947 -7.209 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.045 -8.639 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.028 -9.374 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.471 -8.608 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.864 -6.182 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.282 -6.049 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.714 -5.129 -1.710 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.554 -8.761 -4.866 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.577 -9.729 -5.246 1.00 0.00 C ATOM 1588 C CYS A 103 -7.395 -11.038 -4.485 1.00 0.00 C ATOM 1589 O CYS A 103 -6.287 -11.569 -4.399 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.528 -9.989 -6.752 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.489 -8.815 -7.736 1.00 0.00 S ATOM 0 H CYS A 103 -5.787 -8.674 -5.533 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.551 -9.312 -4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.489 -9.958 -7.082 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.895 -10.997 -6.948 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.383 -9.116 -8.996 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.488 -11.553 -3.934 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.449 -12.799 -3.177 1.00 0.00 C ATOM 1599 C TYR A 104 -8.833 -13.984 -4.058 1.00 0.00 C ATOM 1600 O TYR A 104 -9.491 -13.821 -5.085 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.389 -12.718 -1.973 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.826 -11.921 -0.818 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -7.678 -12.338 -0.155 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -9.442 -10.752 -0.388 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.160 -11.614 0.901 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.930 -10.021 0.666 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.789 -10.456 1.308 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.277 -9.731 2.359 1.00 0.00 O ATOM 0 H TYR A 104 -9.413 -11.127 -3.997 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.429 -12.948 -2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.331 -12.270 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.615 -13.728 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.182 -13.244 -0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -10.337 -10.409 -0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.267 -11.953 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.420 -9.113 0.986 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.991 -9.537 3.001 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.418 -15.177 -3.646 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.719 -16.391 -4.395 1.00 0.00 C ATOM 1620 C ASP A 105 -10.226 -16.592 -4.523 1.00 0.00 C ATOM 1621 O ASP A 105 -10.702 -17.218 -5.470 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.086 -17.606 -3.714 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.962 -18.840 -3.802 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -9.904 -18.958 -2.992 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -8.704 -19.689 -4.682 1.00 0.00 O ATOM 0 H ASP A 105 -7.872 -15.329 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.299 -16.284 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.121 -17.815 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -7.895 -17.373 -2.666 1.00 0.00 H new ATOM 1630 N THR A 106 -10.972 -16.055 -3.562 1.00 0.00 N ATOM 1631 CA THR A 106 -12.425 -16.177 -3.566 1.00 0.00 C ATOM 1632 C THR A 106 -13.055 -15.203 -4.554 1.00 0.00 C ATOM 1633 O THR A 106 -14.078 -15.503 -5.170 1.00 0.00 O ATOM 1634 CB THR A 106 -13.013 -15.922 -2.165 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.444 -15.935 -2.225 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.535 -14.588 -1.612 1.00 0.00 C ATOM 0 H THR A 106 -10.594 -15.532 -2.772 1.00 0.00 H new ATOM 0 HA THR A 106 -12.656 -17.198 -3.869 1.00 0.00 H new ATOM 0 HB THR A 106 -12.670 -16.716 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.810 -15.774 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.963 -14.430 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.447 -14.593 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.851 -13.784 -2.277 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.438 -14.035 -4.703 1.00 0.00 N ATOM 1645 CA GLY A 107 -12.954 -13.034 -5.619 1.00 0.00 C ATOM 1646 C GLY A 107 -12.856 -11.629 -5.059 1.00 0.00 C ATOM 1647 O GLY A 107 -12.433 -10.706 -5.753 1.00 0.00 O ATOM 0 H GLY A 107 -11.590 -13.764 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.403 -13.087 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.996 -13.258 -5.848 1.00 0.00 H new ATOM 1651 N GLU A 108 -13.251 -11.467 -3.800 1.00 0.00 N ATOM 1652 CA GLU A 108 -13.208 -10.163 -3.148 1.00 0.00 C ATOM 1653 C GLU A 108 -11.824 -9.535 -3.280 1.00 0.00 C ATOM 1654 O GLU A 108 -10.824 -10.235 -3.443 1.00 0.00 O ATOM 1655 CB GLU A 108 -13.582 -10.294 -1.671 1.00 0.00 C ATOM 1656 CG GLU A 108 -15.046 -10.630 -1.441 1.00 0.00 C ATOM 1657 CD GLU A 108 -15.352 -10.940 0.012 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -14.457 -11.465 0.707 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -16.486 -10.659 0.453 1.00 0.00 O ATOM 0 H GLU A 108 -13.604 -12.222 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.931 -9.514 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.964 -11.068 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.348 -9.359 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -15.663 -9.793 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -15.319 -11.487 -2.057 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.773 -8.209 -3.209 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.513 -7.484 -3.320 1.00 0.00 C ATOM 1668 C LYS A 109 -10.426 -6.381 -2.269 1.00 0.00 C ATOM 1669 O LYS A 109 -11.441 -5.819 -1.858 1.00 0.00 O ATOM 1670 CB LYS A 109 -10.369 -6.881 -4.719 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.648 -6.257 -5.248 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.383 -5.388 -6.466 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.679 -4.921 -7.110 1.00 0.00 C ATOM 1674 NZ LYS A 109 -13.538 -4.174 -6.149 1.00 0.00 N ATOM 0 H LYS A 109 -12.591 -7.614 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.700 -8.190 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.586 -6.123 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.042 -7.659 -5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.357 -7.043 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.111 -5.656 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.788 -4.523 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.795 -5.948 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.451 -4.284 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.226 -5.783 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.307 -3.701 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.942 -4.837 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.965 -3.462 -5.653 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.206 -6.076 -1.838 1.00 0.00 N ATOM 1689 CA VAL A 110 -8.986 -5.039 -0.837 1.00 0.00 C ATOM 1690 C VAL A 110 -8.289 -3.827 -1.445 1.00 0.00 C ATOM 1691 O VAL A 110 -7.446 -3.963 -2.332 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.144 -5.565 0.340 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -8.044 -4.515 1.436 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.735 -6.858 0.882 1.00 0.00 C ATOM 0 H VAL A 110 -8.355 -6.532 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.968 -4.742 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.138 -5.776 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.445 -4.904 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.572 -3.617 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.043 -4.270 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.127 -7.215 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.752 -6.676 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.749 -7.610 0.093 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.645 -2.642 -0.962 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.054 -1.404 -1.458 1.00 0.00 C ATOM 1706 C PHE A 111 -7.317 -0.668 -0.342 1.00 0.00 C ATOM 1707 O PHE A 111 -7.922 -0.246 0.643 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.135 -0.501 -2.054 1.00 0.00 C ATOM 1709 CG PHE A 111 -9.733 -1.037 -3.323 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -10.433 -2.233 -3.323 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.594 -0.346 -4.516 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.985 -2.729 -4.489 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.143 -0.838 -5.685 1.00 0.00 C ATOM 1714 CZ PHE A 111 -10.839 -2.031 -5.672 1.00 0.00 C ATOM 0 H PHE A 111 -9.340 -2.512 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.335 -1.660 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.928 -0.363 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.708 0.482 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -10.549 -2.784 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.051 0.587 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -11.530 -3.661 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.028 -0.290 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 111 -11.268 -2.417 -6.585 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.007 -0.518 -0.506 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.187 0.167 0.486 1.00 0.00 C ATOM 1726 C VAL A 112 -4.528 1.407 -0.108 1.00 0.00 C ATOM 1727 O VAL A 112 -3.589 1.306 -0.898 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.094 -0.761 1.049 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.162 0.009 1.972 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.722 -1.942 1.776 1.00 0.00 C ATOM 0 H VAL A 112 -5.491 -0.861 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.853 0.465 1.296 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.505 -1.146 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.397 -0.663 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.687 0.818 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.734 0.425 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.936 -2.588 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.336 -1.578 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.344 -2.507 1.082 1.00 0.00 H new ATOM 1740 N SER A 113 -5.025 2.577 0.278 1.00 0.00 N ATOM 1741 CA SER A 113 -4.487 3.838 -0.218 1.00 0.00 C ATOM 1742 C SER A 113 -2.974 3.895 -0.030 1.00 0.00 C ATOM 1743 O SER A 113 -2.433 3.327 0.920 1.00 0.00 O ATOM 1744 CB SER A 113 -5.146 5.017 0.500 1.00 0.00 C ATOM 1745 OG SER A 113 -6.445 5.264 -0.010 1.00 0.00 O ATOM 0 H SER A 113 -5.800 2.678 0.933 1.00 0.00 H new ATOM 0 HA SER A 113 -4.706 3.903 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.205 4.809 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.530 5.909 0.382 1.00 0.00 H new ATOM 0 HG SER A 113 -6.845 6.021 0.467 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.296 4.584 -0.942 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.845 4.716 -0.878 1.00 0.00 C ATOM 1753 C LEU A 114 -0.441 6.159 -0.594 1.00 0.00 C ATOM 1754 O LEU A 114 -1.253 7.077 -0.717 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.212 4.245 -2.188 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.289 2.744 -2.470 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.086 2.468 -3.951 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.739 1.991 -1.639 1.00 0.00 C ATOM 0 H LEU A 114 -2.728 5.060 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.484 4.090 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.693 4.774 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.837 4.541 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.281 2.392 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.144 1.395 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.861 2.976 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.893 2.835 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.669 0.924 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.739 2.346 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.546 2.162 -0.580 1.00 0.00 H new ATOM 1770 N TYR A 115 0.817 6.353 -0.217 1.00 0.00 N ATOM 1771 CA TYR A 115 1.329 7.685 0.083 1.00 0.00 C ATOM 1772 C TYR A 115 2.850 7.722 -0.029 1.00 0.00 C ATOM 1773 O TYR A 115 3.502 6.685 -0.141 1.00 0.00 O ATOM 1774 CB TYR A 115 0.899 8.114 1.487 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.276 9.065 1.496 1.00 0.00 C ATOM 1776 CD1 TYR A 115 -0.140 10.374 1.051 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.524 8.654 1.949 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.211 11.246 1.059 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.601 9.519 1.959 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.440 10.814 1.513 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.509 11.679 1.521 1.00 0.00 O ATOM 0 H TYR A 115 1.502 5.605 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 115 0.913 8.380 -0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.642 7.227 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.743 8.588 1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.820 10.716 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.654 7.641 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.087 12.261 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.564 9.183 2.314 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.300 11.218 1.869 1.00 0.00 H new ATOM 1791 N GLY A 116 3.410 8.928 0.003 1.00 0.00 N ATOM 1792 CA GLY A 116 4.849 9.080 -0.096 1.00 0.00 C ATOM 1793 C GLY A 116 5.258 10.487 -0.487 1.00 0.00 C ATOM 1794 O GLY A 116 5.846 10.697 -1.547 1.00 0.00 O ATOM 0 H GLY A 116 2.892 9.802 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.305 8.825 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.236 8.375 -0.832 1.00 0.00 H new ATOM 1798 N ALA A 117 4.945 11.452 0.371 1.00 0.00 N ATOM 1799 CA ALA A 117 5.284 12.846 0.110 1.00 0.00 C ATOM 1800 C ALA A 117 6.763 12.996 -0.230 1.00 0.00 C ATOM 1801 O ALA A 117 7.627 12.845 0.633 1.00 0.00 O ATOM 1802 CB ALA A 117 4.926 13.710 1.310 1.00 0.00 C ATOM 0 H ALA A 117 4.457 11.294 1.253 1.00 0.00 H new ATOM 0 HA ALA A 117 4.704 13.181 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.185 14.748 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.856 13.635 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.480 13.367 2.184 1.00 0.00 H new ATOM 1808 N ALA A 118 7.047 13.295 -1.493 1.00 0.00 N ATOM 1809 CA ALA A 118 8.422 13.467 -1.947 1.00 0.00 C ATOM 1810 C ALA A 118 8.887 14.907 -1.756 1.00 0.00 C ATOM 1811 O ALA A 118 8.074 15.809 -1.550 1.00 0.00 O ATOM 1812 CB ALA A 118 8.551 13.058 -3.407 1.00 0.00 C ATOM 0 H ALA A 118 6.343 13.423 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 118 9.061 12.823 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.583 13.192 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.268 12.011 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.895 13.678 -4.018 1.00 0.00 H new ATOM 1818 N ILE A 119 10.197 15.114 -1.824 1.00 0.00 N ATOM 1819 CA ILE A 119 10.769 16.445 -1.658 1.00 0.00 C ATOM 1820 C ILE A 119 12.020 16.616 -2.513 1.00 0.00 C ATOM 1821 O ILE A 119 12.758 15.659 -2.750 1.00 0.00 O ATOM 1822 CB ILE A 119 11.124 16.726 -0.186 1.00 0.00 C ATOM 1823 CG1 ILE A 119 11.958 15.579 0.388 1.00 0.00 C ATOM 1824 CG2 ILE A 119 9.859 16.930 0.634 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.450 15.797 0.266 1.00 0.00 C ATOM 0 H ILE A 119 10.883 14.378 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 119 10.010 17.157 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 119 11.716 17.640 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.703 15.446 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.691 14.655 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.126 17.128 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.300 17.777 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.243 16.032 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.978 14.945 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.718 15.900 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.730 16.704 0.802 1.00 0.00 H new ATOM 1837 N ASP A 120 12.254 17.840 -2.972 1.00 0.00 N ATOM 1838 CA ASP A 120 13.418 18.138 -3.798 1.00 0.00 C ATOM 1839 C ASP A 120 14.680 18.230 -2.946 1.00 0.00 C ATOM 1840 O ASP A 120 14.890 19.211 -2.234 1.00 0.00 O ATOM 1841 CB ASP A 120 13.207 19.447 -4.561 1.00 0.00 C ATOM 1842 CG ASP A 120 14.410 19.826 -5.403 1.00 0.00 C ATOM 1843 OD1 ASP A 120 15.501 20.013 -4.827 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.258 19.938 -6.638 1.00 0.00 O ATOM 0 H ASP A 120 11.653 18.643 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 120 13.542 17.325 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.332 19.352 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.996 20.248 -3.852 1.00 0.00 H new ATOM 1849 N MET A 121 15.516 17.200 -3.023 1.00 0.00 N ATOM 1850 CA MET A 121 16.758 17.165 -2.259 1.00 0.00 C ATOM 1851 C MET A 121 17.835 18.009 -2.933 1.00 0.00 C ATOM 1852 O MET A 121 18.634 18.662 -2.263 1.00 0.00 O ATOM 1853 CB MET A 121 17.246 15.723 -2.104 1.00 0.00 C ATOM 1854 CG MET A 121 16.329 14.859 -1.253 1.00 0.00 C ATOM 1855 SD MET A 121 16.708 14.967 0.506 1.00 0.00 S ATOM 1856 CE MET A 121 16.908 13.235 0.916 1.00 0.00 C ATOM 0 H MET A 121 15.356 16.379 -3.606 1.00 0.00 H new ATOM 0 HA MET A 121 16.560 17.582 -1.272 1.00 0.00 H new ATOM 0 HB2 MET A 121 17.342 15.273 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 121 18.241 15.731 -1.659 1.00 0.00 H new ATOM 0 HG2 MET A 121 15.295 15.162 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 121 16.412 13.821 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.147 13.137 1.975 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.982 12.701 0.702 1.00 0.00 H new ATOM 0 HE3 MET A 121 17.717 12.811 0.321 1.00 0.00 H new ATOM 1866 N ASN A 122 17.851 17.990 -4.261 1.00 0.00 N ATOM 1867 CA ASN A 122 18.831 18.754 -5.025 1.00 0.00 C ATOM 1868 C ASN A 122 18.685 20.249 -4.757 1.00 0.00 C ATOM 1869 O ASN A 122 17.732 20.683 -4.110 1.00 0.00 O ATOM 1870 CB ASN A 122 18.673 18.474 -6.521 1.00 0.00 C ATOM 1871 CG ASN A 122 19.052 17.053 -6.887 1.00 0.00 C ATOM 1872 OD1 ASN A 122 18.498 16.093 -6.351 1.00 0.00 O ATOM 1873 ND2 ASN A 122 20.002 16.911 -7.804 1.00 0.00 N ATOM 0 H ASN A 122 17.197 17.454 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 122 19.826 18.442 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 122 17.640 18.659 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 122 19.294 19.169 -7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 122 20.299 15.978 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 122 20.434 17.735 -8.222 1.00 0.00 H new TER 1880 ASN A 122