USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 752 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 98 LYS NZ :NH3+ -157:sc= 2.39 (180deg=0.997) USER MOD Set 1.2: A 100 THR OG1 : rot 75:sc= 1.58 USER MOD Set 2.1: A 30 MET CE :methyl -172:sc= -0.431 (180deg=-0.49) USER MOD Set 2.2: A 44 ASN : amide:sc= 0.202 K(o=0.68,f=-5.8!) USER MOD Set 2.3: A 97 TYR OH : rot 143:sc= 0.904 USER MOD Set 3.1: A 76 LYS NZ :NH3+ -173:sc= 1.82 (180deg=0.807) USER MOD Set 3.2: A 77 SER OG : rot 150:sc= 1.01 USER MOD Set 3.3: A 79 MET CE :methyl -169:sc= -0.561 (180deg=-0.566) USER MOD Set 4.1: A 62 LYS NZ :NH3+ 164:sc= 1.18 (180deg=-0.304) USER MOD Set 4.2: A 71 ASN : amide:sc= 1.75 K(o=2.9,f=-14!) USER MOD Set 5.1: A 59 SER OG : rot -57:sc= 0.888 USER MOD Set 5.2: A 115 SER OG : rot 150:sc= 1.13 USER MOD Set 6.1: A 11 GLN : amide:sc= -0.144 X(o=-0.23,f=-0.35) USER MOD Set 6.2: A 35 MET CE :methyl 170:sc= -0.0907 (180deg=-0.298) USER MOD Set 7.1: A 34 LYS NZ :NH3+ 162:sc= 1.29 (180deg=-0.00613) USER MOD Set 7.2: A 37 GLN : amide:sc= 0.899 K(o=2.2,f=-8.3!) USER MOD Set 8.1: A 25 TYR OH : rot 0:sc= 1.97 USER MOD Set 8.2: A 101 GLN : amide:sc= 1.42 K(o=3.4,f=-7!) USER MOD Set 9.1: A 18 SER OG : rot 110:sc= 0.712 USER MOD Set 9.2: A 21 SER OG : rot 130:sc= 0.367 USER MOD Set 9.3: A 23 SER OG : rot 180:sc= -0.102 USER MOD Set 9.4: A 24 ASN : amide:sc= 1.08 K(o=2.1,f=-2.3!) USER MOD Set10.1: A 1 LYS NZ :NH3+ -131:sc= 2.39 (180deg=0.982) USER MOD Set10.2: A 3 SER OG : rot 180:sc= 1.05 USER MOD Single : A 1 LYS N :NH3+ 144:sc= 0.196 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.17) USER MOD Single : A 12 HIS : no HE2:sc= -4.04 K(o=-4,f=-7.9!) USER MOD Single : A 13 MET CE :methyl 178:sc= -0.983 (180deg=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0951 USER MOD Single : A 17 ASN : amide:sc= 0.0508 K(o=0.051,f=-4.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.135 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0967 USER MOD Single : A 27 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 29 MET CE :methyl -171:sc= -0.356 (180deg=-0.66) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.08) USER MOD Single : A 45 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 48 HIS : no HE2:sc= -2.28 K(o=-0.94,f=-9.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00338 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 1.02 (180deg=-0.267!) USER MOD Single : A 60 GLN : amide:sc= -0.755 X(o=-0.75,f=-0.36) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 70 THR OG1 : rot 163:sc= 1.27 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 75 SER OG : rot 100:sc= 1.37 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 82 THR OG1 : rot -157:sc= 0.00974 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 89 SER OG : rot 180:sc= -0.156 USER MOD Single : A 90 SER OG : rot 180:sc= 0.69 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0179) USER MOD Single : A 92 TYR OH : rot 135:sc= 0.627 USER MOD Single : A 94 ASN : amide:sc= -0.559 K(o=-0.56,f=0) USER MOD Single : A 99 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00859) USER MOD Single : A 105 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-3.4!) USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00686) USER MOD Single : A 119 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : A 123 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.449 13.336 18.815 1.00 0.00 N ATOM 2 CA LYS A 1 0.782 13.444 17.508 1.00 0.00 C ATOM 3 C LYS A 1 1.624 12.686 16.490 1.00 0.00 C ATOM 4 O LYS A 1 2.819 12.533 16.734 1.00 0.00 O ATOM 5 CB LYS A 1 0.619 14.913 17.070 1.00 0.00 C ATOM 6 CG LYS A 1 1.951 15.641 16.786 1.00 0.00 C ATOM 7 CD LYS A 1 1.728 17.016 16.131 1.00 0.00 C ATOM 8 CE LYS A 1 2.912 17.381 15.213 1.00 0.00 C ATOM 9 NZ LYS A 1 2.839 16.669 13.918 1.00 0.00 N ATOM 0 H1 LYS A 1 1.327 14.225 19.341 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.029 12.553 19.356 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.463 13.154 18.673 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.219 13.019 17.579 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.001 14.946 16.173 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.081 15.455 17.848 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.501 15.769 17.719 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.569 15.024 16.133 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.804 17.003 15.553 1.00 0.00 H new ATOM 0 HD3 LYS A 1 1.611 17.777 16.902 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.918 18.457 15.037 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.849 17.134 15.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 3.759 16.230 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.107 15.932 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.600 17.344 13.164 1.00 0.00 H new ATOM 18 N GLU A 2 1.038 12.269 15.371 1.00 0.00 N ATOM 19 CA GLU A 2 1.770 11.820 14.203 1.00 0.00 C ATOM 20 C GLU A 2 2.247 13.058 13.437 1.00 0.00 C ATOM 21 O GLU A 2 1.917 14.189 13.800 1.00 0.00 O ATOM 22 CB GLU A 2 0.855 10.950 13.320 1.00 0.00 C ATOM 23 CG GLU A 2 -0.270 11.719 12.594 1.00 0.00 C ATOM 24 CD GLU A 2 -1.562 11.847 13.397 1.00 0.00 C ATOM 25 OE1 GLU A 2 -1.485 12.271 14.568 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.617 11.527 12.807 1.00 0.00 O ATOM 0 H GLU A 2 0.025 12.235 15.254 1.00 0.00 H new ATOM 0 HA GLU A 2 2.629 11.216 14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.468 10.443 12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.404 10.176 13.941 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.090 12.717 12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.489 11.216 11.652 1.00 0.00 H new ATOM 31 N SER A 3 2.966 12.847 12.337 1.00 0.00 N ATOM 32 CA SER A 3 3.229 13.866 11.329 1.00 0.00 C ATOM 33 C SER A 3 3.005 13.213 9.961 1.00 0.00 C ATOM 34 O SER A 3 3.877 13.252 9.097 1.00 0.00 O ATOM 35 CB SER A 3 4.630 14.466 11.499 1.00 0.00 C ATOM 36 OG SER A 3 4.720 15.244 12.688 1.00 0.00 O ATOM 0 H SER A 3 3.389 11.945 12.119 1.00 0.00 H new ATOM 0 HA SER A 3 2.551 14.713 11.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.369 13.666 11.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.868 15.088 10.636 1.00 0.00 H new ATOM 0 HG SER A 3 5.625 15.612 12.770 1.00 0.00 H new ATOM 41 N ALA A 4 1.836 12.575 9.806 1.00 0.00 N ATOM 42 CA ALA A 4 1.370 11.857 8.620 1.00 0.00 C ATOM 43 C ALA A 4 2.196 10.598 8.340 1.00 0.00 C ATOM 44 O ALA A 4 1.660 9.492 8.403 1.00 0.00 O ATOM 45 CB ALA A 4 1.294 12.783 7.399 1.00 0.00 C ATOM 0 H ALA A 4 1.148 12.548 10.559 1.00 0.00 H new ATOM 0 HA ALA A 4 0.356 11.515 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.944 12.218 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.601 13.599 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.283 13.191 7.190 1.00 0.00 H new ATOM 51 N ALA A 5 3.490 10.764 8.044 1.00 0.00 N ATOM 52 CA ALA A 5 4.406 9.704 7.641 1.00 0.00 C ATOM 53 C ALA A 5 4.220 8.446 8.489 1.00 0.00 C ATOM 54 O ALA A 5 3.889 7.389 7.966 1.00 0.00 O ATOM 55 CB ALA A 5 5.850 10.211 7.708 1.00 0.00 C ATOM 0 H ALA A 5 3.940 11.678 8.082 1.00 0.00 H new ATOM 0 HA ALA A 5 4.179 9.427 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.530 9.414 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.968 11.063 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.081 10.517 8.728 1.00 0.00 H new ATOM 61 N ALA A 6 4.369 8.576 9.811 1.00 0.00 N ATOM 62 CA ALA A 6 4.251 7.463 10.745 1.00 0.00 C ATOM 63 C ALA A 6 2.912 6.728 10.605 1.00 0.00 C ATOM 64 O ALA A 6 2.854 5.504 10.687 1.00 0.00 O ATOM 65 CB ALA A 6 4.431 7.981 12.175 1.00 0.00 C ATOM 0 H ALA A 6 4.577 9.467 10.262 1.00 0.00 H new ATOM 0 HA ALA A 6 5.033 6.741 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.343 7.151 12.876 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.415 8.438 12.275 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.663 8.723 12.393 1.00 0.00 H new ATOM 71 N LYS A 7 1.824 7.474 10.408 1.00 0.00 N ATOM 72 CA LYS A 7 0.479 6.931 10.333 1.00 0.00 C ATOM 73 C LYS A 7 0.324 6.179 9.011 1.00 0.00 C ATOM 74 O LYS A 7 -0.164 5.050 8.968 1.00 0.00 O ATOM 75 CB LYS A 7 -0.493 8.114 10.426 1.00 0.00 C ATOM 76 CG LYS A 7 -1.887 7.728 10.916 1.00 0.00 C ATOM 77 CD LYS A 7 -2.800 8.955 10.771 1.00 0.00 C ATOM 78 CE LYS A 7 -3.964 8.898 11.775 1.00 0.00 C ATOM 79 NZ LYS A 7 -4.658 10.197 11.886 1.00 0.00 N ATOM 0 H LYS A 7 1.860 8.487 10.295 1.00 0.00 H new ATOM 0 HA LYS A 7 0.274 6.229 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.076 8.863 11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.579 8.580 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.277 6.892 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.849 7.403 11.956 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.221 9.864 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.193 9.002 9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.674 8.132 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.585 8.604 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.333 10.164 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.961 10.950 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.170 10.394 11.002 1.00 0.00 H new ATOM 89 N PHE A 8 0.724 6.823 7.913 1.00 0.00 N ATOM 90 CA PHE A 8 0.754 6.220 6.586 1.00 0.00 C ATOM 91 C PHE A 8 1.544 4.906 6.631 1.00 0.00 C ATOM 92 O PHE A 8 1.074 3.861 6.173 1.00 0.00 O ATOM 93 CB PHE A 8 1.346 7.227 5.588 1.00 0.00 C ATOM 94 CG PHE A 8 2.234 6.610 4.530 1.00 0.00 C ATOM 95 CD1 PHE A 8 1.691 5.708 3.600 1.00 0.00 C ATOM 96 CD2 PHE A 8 3.629 6.737 4.639 1.00 0.00 C ATOM 97 CE1 PHE A 8 2.538 5.041 2.702 1.00 0.00 C ATOM 98 CE2 PHE A 8 4.471 6.044 3.762 1.00 0.00 C ATOM 99 CZ PHE A 8 3.921 5.268 2.731 1.00 0.00 C ATOM 0 H PHE A 8 1.040 7.793 7.925 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.255 5.976 6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.529 7.756 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.921 7.971 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.626 5.529 3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.053 7.372 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.122 4.349 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.543 6.107 3.879 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.558 4.849 1.966 1.00 0.00 H new ATOM 108 N GLU A 9 2.760 4.967 7.173 1.00 0.00 N ATOM 109 CA GLU A 9 3.607 3.821 7.421 1.00 0.00 C ATOM 110 C GLU A 9 2.824 2.760 8.164 1.00 0.00 C ATOM 111 O GLU A 9 2.567 1.714 7.593 1.00 0.00 O ATOM 112 CB GLU A 9 4.880 4.228 8.166 1.00 0.00 C ATOM 113 CG GLU A 9 5.927 4.584 7.108 1.00 0.00 C ATOM 114 CD GLU A 9 7.064 5.428 7.654 1.00 0.00 C ATOM 115 OE1 GLU A 9 7.794 4.969 8.561 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.248 6.560 7.154 1.00 0.00 O ATOM 0 H GLU A 9 3.188 5.848 7.458 1.00 0.00 H new ATOM 0 HA GLU A 9 3.927 3.399 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.688 5.079 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.233 3.414 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.335 3.665 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.443 5.122 6.293 1.00 0.00 H new ATOM 121 N ARG A 10 2.416 3.016 9.402 1.00 0.00 N ATOM 122 CA ARG A 10 1.834 1.960 10.209 1.00 0.00 C ATOM 123 C ARG A 10 0.600 1.340 9.539 1.00 0.00 C ATOM 124 O ARG A 10 0.374 0.137 9.657 1.00 0.00 O ATOM 125 CB ARG A 10 1.485 2.487 11.605 1.00 0.00 C ATOM 126 CG ARG A 10 2.738 2.879 12.407 1.00 0.00 C ATOM 127 CD ARG A 10 3.390 1.668 13.081 1.00 0.00 C ATOM 128 NE ARG A 10 2.525 1.139 14.147 1.00 0.00 N ATOM 129 CZ ARG A 10 2.763 0.013 14.841 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.837 -0.731 14.553 1.00 0.00 N ATOM 131 NH2 ARG A 10 1.930 -0.362 15.818 1.00 0.00 N ATOM 0 H ARG A 10 2.477 3.927 9.858 1.00 0.00 H new ATOM 0 HA ARG A 10 2.579 1.171 10.306 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.830 3.353 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.930 1.725 12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.459 3.356 11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.468 3.614 13.165 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.579 0.891 12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.356 1.953 13.498 1.00 0.00 H new ATOM 0 HE ARG A 10 1.682 1.666 14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.472 -0.443 13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.021 -1.586 15.078 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.112 0.207 16.037 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.112 -1.217 16.344 1.00 0.00 H new ATOM 142 N GLN A 11 -0.217 2.154 8.863 1.00 0.00 N ATOM 143 CA GLN A 11 -1.389 1.659 8.154 1.00 0.00 C ATOM 144 C GLN A 11 -1.005 0.759 6.976 1.00 0.00 C ATOM 145 O GLN A 11 -1.494 -0.363 6.872 1.00 0.00 O ATOM 146 CB GLN A 11 -2.239 2.836 7.665 1.00 0.00 C ATOM 147 CG GLN A 11 -2.949 3.541 8.829 1.00 0.00 C ATOM 148 CD GLN A 11 -3.579 4.844 8.358 1.00 0.00 C ATOM 149 OE1 GLN A 11 -4.795 5.001 8.345 1.00 0.00 O ATOM 150 NE2 GLN A 11 -2.738 5.790 7.962 1.00 0.00 N ATOM 0 H GLN A 11 -0.082 3.163 8.795 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.970 1.055 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.605 3.550 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.979 2.479 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.717 2.888 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.236 3.743 9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.732 5.622 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.097 6.686 7.632 1.00 0.00 H new ATOM 157 N HIS A 12 -0.187 1.279 6.055 1.00 0.00 N ATOM 158 CA HIS A 12 0.050 0.636 4.762 1.00 0.00 C ATOM 159 C HIS A 12 1.213 -0.367 4.793 1.00 0.00 C ATOM 160 O HIS A 12 1.291 -1.248 3.945 1.00 0.00 O ATOM 161 CB HIS A 12 0.282 1.715 3.691 1.00 0.00 C ATOM 162 CG HIS A 12 1.739 1.952 3.412 1.00 0.00 C ATOM 163 ND1 HIS A 12 2.624 2.544 4.287 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.450 1.411 2.378 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.860 2.389 3.778 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.778 1.706 2.619 1.00 0.00 N ATOM 0 H HIS A 12 0.325 2.151 6.185 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.838 0.055 4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.217 1.418 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.178 2.648 4.016 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.386 3.014 5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.052 0.861 1.538 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.772 2.754 4.227 1.00 0.00 H new ATOM 174 N MET A 13 2.182 -0.147 5.677 1.00 0.00 N ATOM 175 CA MET A 13 3.398 -0.930 5.836 1.00 0.00 C ATOM 176 C MET A 13 3.215 -1.823 7.057 1.00 0.00 C ATOM 177 O MET A 13 2.845 -1.329 8.123 1.00 0.00 O ATOM 178 CB MET A 13 4.611 -0.001 6.056 1.00 0.00 C ATOM 179 CG MET A 13 5.801 -0.292 5.134 1.00 0.00 C ATOM 180 SD MET A 13 6.707 -1.829 5.443 1.00 0.00 S ATOM 181 CE MET A 13 8.045 -1.620 4.247 1.00 0.00 C ATOM 0 H MET A 13 2.134 0.628 6.339 1.00 0.00 H new ATOM 0 HA MET A 13 3.580 -1.524 4.941 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.295 1.032 5.908 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.938 -0.089 7.092 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.439 -0.310 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.503 0.539 5.210 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.732 -2.463 4.318 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.629 -1.575 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.582 -0.696 4.460 1.00 0.00 H new ATOM 189 N ASP A 14 3.507 -3.115 6.926 1.00 0.00 N ATOM 190 CA ASP A 14 3.624 -3.987 8.080 1.00 0.00 C ATOM 191 C ASP A 14 4.648 -5.068 7.779 1.00 0.00 C ATOM 192 O ASP A 14 4.484 -5.837 6.834 1.00 0.00 O ATOM 193 CB ASP A 14 2.275 -4.596 8.460 1.00 0.00 C ATOM 194 CG ASP A 14 2.322 -5.108 9.888 1.00 0.00 C ATOM 195 OD1 ASP A 14 3.239 -5.904 10.184 1.00 0.00 O ATOM 196 OD2 ASP A 14 1.454 -4.648 10.668 1.00 0.00 O ATOM 0 H ASP A 14 3.666 -3.576 6.030 1.00 0.00 H new ATOM 0 HA ASP A 14 3.957 -3.401 8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.488 -3.849 8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.030 -5.412 7.780 1.00 0.00 H new ATOM 200 N SER A 15 5.722 -5.123 8.563 1.00 0.00 N ATOM 201 CA SER A 15 6.752 -6.123 8.410 1.00 0.00 C ATOM 202 C SER A 15 6.199 -7.542 8.586 1.00 0.00 C ATOM 203 O SER A 15 6.799 -8.479 8.058 1.00 0.00 O ATOM 204 CB SER A 15 7.867 -5.801 9.411 1.00 0.00 C ATOM 205 OG SER A 15 7.311 -5.263 10.600 1.00 0.00 O ATOM 0 H SER A 15 5.894 -4.467 9.324 1.00 0.00 H new ATOM 0 HA SER A 15 7.154 -6.097 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.433 -6.704 9.640 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.566 -5.089 8.972 1.00 0.00 H new ATOM 0 HG SER A 15 8.030 -5.062 11.235 1.00 0.00 H new ATOM 210 N GLY A 16 5.064 -7.719 9.277 1.00 0.00 N ATOM 211 CA GLY A 16 4.405 -9.011 9.402 1.00 0.00 C ATOM 212 C GLY A 16 4.057 -9.619 8.040 1.00 0.00 C ATOM 213 O GLY A 16 4.256 -9.001 6.994 1.00 0.00 O ATOM 0 H GLY A 16 4.582 -6.963 9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.053 -9.696 9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.494 -8.897 9.990 1.00 0.00 H new ATOM 216 N ASN A 17 3.561 -10.860 8.038 1.00 0.00 N ATOM 217 CA ASN A 17 3.232 -11.604 6.830 1.00 0.00 C ATOM 218 C ASN A 17 2.398 -12.823 7.238 1.00 0.00 C ATOM 219 O ASN A 17 2.199 -13.055 8.430 1.00 0.00 O ATOM 220 CB ASN A 17 4.529 -12.030 6.115 1.00 0.00 C ATOM 221 CG ASN A 17 4.283 -12.569 4.708 1.00 0.00 C ATOM 222 OD1 ASN A 17 3.223 -12.347 4.129 1.00 0.00 O ATOM 223 ND2 ASN A 17 5.245 -13.295 4.150 1.00 0.00 N ATOM 0 H ASN A 17 3.375 -11.381 8.895 1.00 0.00 H new ATOM 0 HA ASN A 17 2.658 -10.989 6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.204 -11.176 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.031 -12.794 6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.114 -13.685 3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.115 -13.463 4.655 1.00 0.00 H new ATOM 229 N SER A 18 1.925 -13.605 6.269 1.00 0.00 N ATOM 230 CA SER A 18 1.309 -14.909 6.466 1.00 0.00 C ATOM 231 C SER A 18 1.751 -15.782 5.286 1.00 0.00 C ATOM 232 O SER A 18 2.281 -15.247 4.309 1.00 0.00 O ATOM 233 CB SER A 18 -0.224 -14.756 6.511 1.00 0.00 C ATOM 234 OG SER A 18 -0.742 -15.163 7.764 1.00 0.00 O ATOM 0 H SER A 18 1.964 -13.333 5.287 1.00 0.00 H new ATOM 0 HA SER A 18 1.613 -15.366 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.494 -13.717 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.675 -15.351 5.717 1.00 0.00 H new ATOM 0 HG SER A 18 -1.063 -14.378 8.256 1.00 0.00 H new ATOM 239 N PRO A 19 1.532 -17.106 5.341 1.00 0.00 N ATOM 240 CA PRO A 19 1.681 -17.949 4.167 1.00 0.00 C ATOM 241 C PRO A 19 0.664 -17.506 3.109 1.00 0.00 C ATOM 242 O PRO A 19 -0.137 -16.602 3.354 1.00 0.00 O ATOM 243 CB PRO A 19 1.430 -19.379 4.662 1.00 0.00 C ATOM 244 CG PRO A 19 0.484 -19.175 5.846 1.00 0.00 C ATOM 245 CD PRO A 19 0.981 -17.864 6.454 1.00 0.00 C ATOM 0 HA PRO A 19 2.664 -17.882 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.979 -20.000 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.355 -19.869 4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.555 -19.104 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.543 -19.999 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.168 -17.321 6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.737 -18.047 7.217 1.00 0.00 H new ATOM 250 N SER A 20 0.694 -18.131 1.932 1.00 0.00 N ATOM 251 CA SER A 20 -0.140 -17.812 0.783 1.00 0.00 C ATOM 252 C SER A 20 -1.622 -18.115 1.046 1.00 0.00 C ATOM 253 O SER A 20 -2.204 -19.017 0.448 1.00 0.00 O ATOM 254 CB SER A 20 0.410 -18.586 -0.425 1.00 0.00 C ATOM 255 OG SER A 20 1.195 -19.688 0.010 1.00 0.00 O ATOM 0 H SER A 20 1.330 -18.907 1.750 1.00 0.00 H new ATOM 0 HA SER A 20 -0.100 -16.742 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.414 -18.940 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.013 -17.924 -1.046 1.00 0.00 H new ATOM 0 HG SER A 20 1.538 -20.173 -0.769 1.00 0.00 H new ATOM 260 N SER A 21 -2.244 -17.326 1.918 1.00 0.00 N ATOM 261 CA SER A 21 -3.676 -17.341 2.140 1.00 0.00 C ATOM 262 C SER A 21 -4.316 -16.201 1.356 1.00 0.00 C ATOM 263 O SER A 21 -3.641 -15.255 0.942 1.00 0.00 O ATOM 264 CB SER A 21 -3.973 -17.217 3.641 1.00 0.00 C ATOM 265 OG SER A 21 -5.367 -17.117 3.873 1.00 0.00 O ATOM 0 H SER A 21 -1.752 -16.647 2.499 1.00 0.00 H new ATOM 0 HA SER A 21 -4.097 -18.284 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.574 -18.084 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.469 -16.339 4.044 1.00 0.00 H new ATOM 0 HG SER A 21 -5.632 -17.764 4.560 1.00 0.00 H new ATOM 270 N SER A 22 -5.634 -16.293 1.188 1.00 0.00 N ATOM 271 CA SER A 22 -6.497 -15.270 0.645 1.00 0.00 C ATOM 272 C SER A 22 -6.977 -14.318 1.746 1.00 0.00 C ATOM 273 O SER A 22 -7.293 -13.167 1.444 1.00 0.00 O ATOM 274 CB SER A 22 -7.690 -15.988 0.008 1.00 0.00 C ATOM 275 OG SER A 22 -8.126 -17.018 0.879 1.00 0.00 O ATOM 0 H SER A 22 -6.148 -17.136 1.445 1.00 0.00 H new ATOM 0 HA SER A 22 -5.961 -14.668 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.500 -15.282 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.406 -16.406 -0.958 1.00 0.00 H new ATOM 0 HG SER A 22 -8.891 -17.482 0.480 1.00 0.00 H new ATOM 280 N SER A 23 -7.050 -14.782 3.000 1.00 0.00 N ATOM 281 CA SER A 23 -7.754 -14.103 4.079 1.00 0.00 C ATOM 282 C SER A 23 -6.818 -13.423 5.083 1.00 0.00 C ATOM 283 O SER A 23 -6.891 -12.206 5.261 1.00 0.00 O ATOM 284 CB SER A 23 -8.619 -15.154 4.781 1.00 0.00 C ATOM 285 OG SER A 23 -7.805 -16.264 5.124 1.00 0.00 O ATOM 0 H SER A 23 -6.612 -15.656 3.291 1.00 0.00 H new ATOM 0 HA SER A 23 -8.355 -13.298 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.075 -14.730 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.432 -15.470 4.128 1.00 0.00 H new ATOM 0 HG SER A 23 -8.350 -16.942 5.576 1.00 0.00 H new ATOM 290 N ASN A 24 -6.015 -14.242 5.773 1.00 0.00 N ATOM 291 CA ASN A 24 -5.190 -13.954 6.950 1.00 0.00 C ATOM 292 C ASN A 24 -4.898 -12.468 7.193 1.00 0.00 C ATOM 293 O ASN A 24 -5.752 -11.723 7.665 1.00 0.00 O ATOM 294 CB ASN A 24 -3.882 -14.765 6.905 1.00 0.00 C ATOM 295 CG ASN A 24 -4.028 -16.277 6.966 1.00 0.00 C ATOM 296 OD1 ASN A 24 -5.060 -16.835 6.602 1.00 0.00 O ATOM 297 ND2 ASN A 24 -2.957 -16.947 7.377 1.00 0.00 N ATOM 0 H ASN A 24 -5.918 -15.218 5.493 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.794 -14.265 7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.351 -14.509 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.253 -14.448 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.971 -17.967 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.121 -16.442 7.670 1.00 0.00 H new ATOM 303 N TYR A 25 -3.670 -12.053 6.879 1.00 0.00 N ATOM 304 CA TYR A 25 -3.149 -10.701 6.876 1.00 0.00 C ATOM 305 C TYR A 25 -4.135 -9.629 6.409 1.00 0.00 C ATOM 306 O TYR A 25 -4.119 -8.532 6.959 1.00 0.00 O ATOM 307 CB TYR A 25 -1.843 -10.664 6.055 1.00 0.00 C ATOM 308 CG TYR A 25 -1.701 -11.548 4.814 1.00 0.00 C ATOM 309 CD1 TYR A 25 -2.792 -12.189 4.190 1.00 0.00 C ATOM 310 CD2 TYR A 25 -0.406 -11.838 4.356 1.00 0.00 C ATOM 311 CE1 TYR A 25 -2.582 -13.257 3.309 1.00 0.00 C ATOM 312 CE2 TYR A 25 -0.202 -12.810 3.363 1.00 0.00 C ATOM 313 CZ TYR A 25 -1.290 -13.534 2.842 1.00 0.00 C ATOM 314 OH TYR A 25 -1.137 -14.370 1.771 1.00 0.00 O ATOM 0 H TYR A 25 -2.955 -12.723 6.595 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.952 -10.442 7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.686 -9.633 5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.026 -10.918 6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.798 -11.853 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.440 -11.310 4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.415 -13.866 2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.796 -13.003 2.997 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.017 -14.675 1.466 1.00 0.00 H new ATOM 323 N CYS A 26 -4.980 -9.920 5.416 1.00 0.00 N ATOM 324 CA CYS A 26 -5.892 -8.927 4.861 1.00 0.00 C ATOM 325 C CYS A 26 -6.821 -8.506 5.992 1.00 0.00 C ATOM 326 O CYS A 26 -6.836 -7.364 6.449 1.00 0.00 O ATOM 327 CB CYS A 26 -6.700 -9.505 3.686 1.00 0.00 C ATOM 328 SG CYS A 26 -6.455 -8.784 2.047 1.00 0.00 S ATOM 0 H CYS A 26 -5.048 -10.840 4.981 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.336 -8.076 4.469 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.475 -10.569 3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.758 -9.417 3.934 1.00 0.00 H new ATOM 332 N ASN A 27 -7.581 -9.486 6.475 1.00 0.00 N ATOM 333 CA ASN A 27 -8.617 -9.239 7.459 1.00 0.00 C ATOM 334 C ASN A 27 -7.968 -8.919 8.801 1.00 0.00 C ATOM 335 O ASN A 27 -8.384 -7.987 9.484 1.00 0.00 O ATOM 336 CB ASN A 27 -9.548 -10.454 7.573 1.00 0.00 C ATOM 337 CG ASN A 27 -10.281 -10.769 6.269 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.435 -10.393 6.088 1.00 0.00 O ATOM 339 ND2 ASN A 27 -9.634 -11.466 5.338 1.00 0.00 N ATOM 0 H ASN A 27 -7.493 -10.463 6.195 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.221 -8.387 7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.965 -11.324 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.280 -10.271 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.097 -11.695 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.675 -11.771 5.504 1.00 0.00 H new ATOM 345 N LEU A 28 -6.937 -9.687 9.164 1.00 0.00 N ATOM 346 CA LEU A 28 -6.183 -9.523 10.395 1.00 0.00 C ATOM 347 C LEU A 28 -5.720 -8.079 10.521 1.00 0.00 C ATOM 348 O LEU A 28 -6.053 -7.404 11.491 1.00 0.00 O ATOM 349 CB LEU A 28 -4.991 -10.494 10.402 1.00 0.00 C ATOM 350 CG LEU A 28 -4.170 -10.591 11.701 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.227 -9.401 11.926 1.00 0.00 C ATOM 352 CD2 LEU A 28 -5.049 -10.817 12.936 1.00 0.00 C ATOM 0 H LEU A 28 -6.600 -10.459 8.589 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.815 -9.754 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.365 -11.490 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.316 -10.206 9.596 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.543 -11.471 11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.683 -9.540 12.860 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.519 -9.336 11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.809 -8.481 11.978 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.420 -10.878 13.824 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.748 -9.987 13.042 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.606 -11.747 12.821 1.00 0.00 H new ATOM 363 N MET A 29 -4.939 -7.596 9.551 1.00 0.00 N ATOM 364 CA MET A 29 -4.348 -6.278 9.669 1.00 0.00 C ATOM 365 C MET A 29 -5.440 -5.210 9.681 1.00 0.00 C ATOM 366 O MET A 29 -5.388 -4.319 10.526 1.00 0.00 O ATOM 367 CB MET A 29 -3.310 -6.051 8.573 1.00 0.00 C ATOM 368 CG MET A 29 -2.424 -4.838 8.880 1.00 0.00 C ATOM 369 SD MET A 29 -1.332 -4.302 7.541 1.00 0.00 S ATOM 370 CE MET A 29 -0.559 -5.874 7.102 1.00 0.00 C ATOM 0 H MET A 29 -4.709 -8.095 8.692 1.00 0.00 H new ATOM 0 HA MET A 29 -3.817 -6.204 10.618 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.688 -6.940 8.470 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.814 -5.902 7.618 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.067 -4.002 9.155 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.812 -5.070 9.752 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.257 -5.695 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.168 -6.351 8.001 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.299 -6.526 6.638 1.00 0.00 H new ATOM 378 N MET A 30 -6.437 -5.291 8.789 1.00 0.00 N ATOM 379 CA MET A 30 -7.547 -4.346 8.842 1.00 0.00 C ATOM 380 C MET A 30 -8.214 -4.336 10.216 1.00 0.00 C ATOM 381 O MET A 30 -8.480 -3.259 10.744 1.00 0.00 O ATOM 382 CB MET A 30 -8.585 -4.617 7.747 1.00 0.00 C ATOM 383 CG MET A 30 -8.284 -3.844 6.457 1.00 0.00 C ATOM 384 SD MET A 30 -7.855 -4.855 5.028 1.00 0.00 S ATOM 385 CE MET A 30 -7.653 -3.535 3.821 1.00 0.00 C ATOM 0 H MET A 30 -6.494 -5.984 8.043 1.00 0.00 H new ATOM 0 HA MET A 30 -7.121 -3.359 8.662 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.611 -5.685 7.530 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.575 -4.341 8.111 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.156 -3.240 6.204 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.463 -3.154 6.651 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.523 -3.966 2.828 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.538 -2.898 3.827 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.776 -2.940 4.076 1.00 0.00 H new ATOM 393 N CYS A 31 -8.487 -5.508 10.790 1.00 0.00 N ATOM 394 CA CYS A 31 -9.113 -5.624 12.101 1.00 0.00 C ATOM 395 C CYS A 31 -8.233 -5.005 13.188 1.00 0.00 C ATOM 396 O CYS A 31 -8.689 -4.155 13.949 1.00 0.00 O ATOM 397 CB CYS A 31 -9.407 -7.092 12.414 1.00 0.00 C ATOM 398 SG CYS A 31 -10.123 -7.176 14.071 1.00 0.00 S ATOM 0 H CYS A 31 -8.278 -6.406 10.354 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.054 -5.074 12.083 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.096 -7.508 11.679 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.493 -7.683 12.363 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.387 -8.414 14.367 1.00 0.00 H new ATOM 403 N CYS A 32 -6.964 -5.413 13.250 1.00 0.00 N ATOM 404 CA CYS A 32 -6.027 -4.992 14.286 1.00 0.00 C ATOM 405 C CYS A 32 -5.739 -3.496 14.196 1.00 0.00 C ATOM 406 O CYS A 32 -5.764 -2.798 15.206 1.00 0.00 O ATOM 407 CB CYS A 32 -4.722 -5.794 14.194 1.00 0.00 C ATOM 408 SG CYS A 32 -4.967 -7.447 14.886 1.00 0.00 S ATOM 0 H CYS A 32 -6.555 -6.055 12.571 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.490 -5.189 15.253 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.403 -5.869 13.154 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.929 -5.278 14.734 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.859 -8.121 14.803 1.00 0.00 H new ATOM 413 N ARG A 33 -5.452 -2.988 12.991 1.00 0.00 N ATOM 414 CA ARG A 33 -5.300 -1.551 12.778 1.00 0.00 C ATOM 415 C ARG A 33 -6.655 -0.844 12.964 1.00 0.00 C ATOM 416 O ARG A 33 -6.704 0.336 13.301 1.00 0.00 O ATOM 417 CB ARG A 33 -4.690 -1.272 11.389 1.00 0.00 C ATOM 418 CG ARG A 33 -3.601 -0.183 11.429 1.00 0.00 C ATOM 419 CD ARG A 33 -2.203 -0.713 11.067 1.00 0.00 C ATOM 420 NE ARG A 33 -1.845 -1.950 11.782 1.00 0.00 N ATOM 421 CZ ARG A 33 -0.815 -2.751 11.451 1.00 0.00 C ATOM 422 NH1 ARG A 33 0.079 -2.400 10.527 1.00 0.00 N ATOM 423 NH2 ARG A 33 -0.654 -3.938 12.041 1.00 0.00 N ATOM 0 H ARG A 33 -5.321 -3.553 12.152 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.611 -1.148 13.520 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.263 -2.193 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.480 -0.965 10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.870 0.616 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.570 0.255 12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.158 -0.896 9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.462 0.055 11.290 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.417 -2.218 12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.007 -1.503 10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.849 -3.028 10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.316 -4.248 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.131 -4.535 11.780 1.00 0.00 H new ATOM 434 N LYS A 34 -7.743 -1.581 12.728 1.00 0.00 N ATOM 435 CA LYS A 34 -9.136 -1.201 12.888 1.00 0.00 C ATOM 436 C LYS A 34 -9.563 -0.191 11.827 1.00 0.00 C ATOM 437 O LYS A 34 -10.158 0.847 12.114 1.00 0.00 O ATOM 438 CB LYS A 34 -9.479 -0.828 14.340 1.00 0.00 C ATOM 439 CG LYS A 34 -10.800 -1.476 14.782 1.00 0.00 C ATOM 440 CD LYS A 34 -11.977 -1.124 13.855 1.00 0.00 C ATOM 441 CE LYS A 34 -13.301 -1.745 14.323 1.00 0.00 C ATOM 442 NZ LYS A 34 -13.815 -1.110 15.552 1.00 0.00 N ATOM 0 H LYS A 34 -7.657 -2.540 12.391 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.757 -2.077 12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.674 -1.150 15.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.553 0.256 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.677 -2.559 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.035 -1.156 15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.085 -0.040 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.755 -1.468 12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.044 -1.651 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.157 -2.811 14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.825 -1.333 15.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.290 -1.470 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.693 -0.079 15.487 1.00 0.00 H new ATOM 452 N MET A 35 -9.315 -0.553 10.568 1.00 0.00 N ATOM 453 CA MET A 35 -9.763 0.218 9.419 1.00 0.00 C ATOM 454 C MET A 35 -11.282 0.098 9.256 1.00 0.00 C ATOM 455 O MET A 35 -11.948 1.047 8.849 1.00 0.00 O ATOM 456 CB MET A 35 -9.037 -0.273 8.157 1.00 0.00 C ATOM 457 CG MET A 35 -7.512 -0.069 8.207 1.00 0.00 C ATOM 458 SD MET A 35 -6.836 1.369 7.332 1.00 0.00 S ATOM 459 CE MET A 35 -7.588 2.740 8.236 1.00 0.00 C ATOM 0 H MET A 35 -8.795 -1.395 10.320 1.00 0.00 H new ATOM 0 HA MET A 35 -9.524 1.270 9.575 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.249 -1.333 8.014 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.438 0.252 7.290 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.215 0.003 9.253 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.039 -0.963 7.802 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.127 3.677 7.925 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.657 2.773 8.024 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.435 2.598 9.306 1.00 0.00 H new ATOM 467 N THR A 36 -11.833 -1.077 9.568 1.00 0.00 N ATOM 468 CA THR A 36 -13.216 -1.457 9.342 1.00 0.00 C ATOM 469 C THR A 36 -14.128 -0.853 10.418 1.00 0.00 C ATOM 470 O THR A 36 -14.803 -1.569 11.152 1.00 0.00 O ATOM 471 CB THR A 36 -13.253 -2.992 9.325 1.00 0.00 C ATOM 472 OG1 THR A 36 -12.456 -3.479 10.392 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.644 -3.524 8.026 1.00 0.00 C ATOM 0 H THR A 36 -11.293 -1.822 10.007 1.00 0.00 H new ATOM 0 HA THR A 36 -13.590 -1.071 8.394 1.00 0.00 H new ATOM 0 HB THR A 36 -14.290 -3.317 9.415 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.473 -4.459 10.392 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.677 -4.613 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.212 -3.145 7.176 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.609 -3.193 7.947 1.00 0.00 H new ATOM 481 N GLN A 37 -14.126 0.479 10.516 1.00 0.00 N ATOM 482 CA GLN A 37 -15.019 1.239 11.382 1.00 0.00 C ATOM 483 C GLN A 37 -16.422 1.290 10.759 1.00 0.00 C ATOM 484 O GLN A 37 -17.113 0.278 10.696 1.00 0.00 O ATOM 485 CB GLN A 37 -14.413 2.631 11.636 1.00 0.00 C ATOM 486 CG GLN A 37 -13.268 2.591 12.652 1.00 0.00 C ATOM 487 CD GLN A 37 -13.797 2.502 14.081 1.00 0.00 C ATOM 488 OE1 GLN A 37 -13.865 1.427 14.672 1.00 0.00 O ATOM 489 NE2 GLN A 37 -14.203 3.632 14.654 1.00 0.00 N ATOM 0 H GLN A 37 -13.488 1.068 9.982 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.127 0.755 12.353 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.047 3.042 10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.192 3.303 11.996 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.626 1.735 12.446 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.653 3.484 12.545 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.138 4.514 14.145 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.580 3.617 15.602 1.00 0.00 H new ATOM 496 N GLY A 38 -16.861 2.463 10.295 1.00 0.00 N ATOM 497 CA GLY A 38 -18.223 2.672 9.822 1.00 0.00 C ATOM 498 C GLY A 38 -18.465 2.096 8.429 1.00 0.00 C ATOM 499 O GLY A 38 -19.607 2.071 7.970 1.00 0.00 O ATOM 0 H GLY A 38 -16.275 3.296 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.920 2.215 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.438 3.741 9.810 1.00 0.00 H new ATOM 502 N LYS A 39 -17.407 1.639 7.756 1.00 0.00 N ATOM 503 CA LYS A 39 -17.437 1.002 6.454 1.00 0.00 C ATOM 504 C LYS A 39 -16.130 0.226 6.319 1.00 0.00 C ATOM 505 O LYS A 39 -15.217 0.423 7.122 1.00 0.00 O ATOM 506 CB LYS A 39 -17.659 2.035 5.334 1.00 0.00 C ATOM 507 CG LYS A 39 -16.818 3.312 5.488 1.00 0.00 C ATOM 508 CD LYS A 39 -17.242 4.342 4.434 1.00 0.00 C ATOM 509 CE LYS A 39 -16.543 5.688 4.681 1.00 0.00 C ATOM 510 NZ LYS A 39 -17.031 6.744 3.767 1.00 0.00 N ATOM 0 H LYS A 39 -16.461 1.711 8.131 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.276 0.313 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.426 1.572 4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.714 2.308 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.948 3.726 6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.760 3.077 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.994 3.975 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.323 4.477 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.708 5.998 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.467 5.566 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.533 7.635 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.851 6.461 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.053 6.879 3.907 1.00 0.00 H new ATOM 520 N CYS A 40 -16.058 -0.662 5.329 1.00 0.00 N ATOM 521 CA CYS A 40 -14.909 -1.519 5.064 1.00 0.00 C ATOM 522 C CYS A 40 -14.197 -1.014 3.808 1.00 0.00 C ATOM 523 O CYS A 40 -14.821 -0.329 2.998 1.00 0.00 O ATOM 524 CB CYS A 40 -15.420 -2.945 4.880 1.00 0.00 C ATOM 525 SG CYS A 40 -14.132 -4.183 4.703 1.00 0.00 S ATOM 0 H CYS A 40 -16.823 -0.808 4.670 1.00 0.00 H new ATOM 0 HA CYS A 40 -14.196 -1.501 5.888 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.043 -3.207 5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.060 -2.977 3.998 1.00 0.00 H new ATOM 529 N LYS A 41 -12.901 -1.296 3.638 1.00 0.00 N ATOM 530 CA LYS A 41 -12.152 -0.780 2.501 1.00 0.00 C ATOM 531 C LYS A 41 -12.333 -1.738 1.317 1.00 0.00 C ATOM 532 O LYS A 41 -12.169 -2.941 1.486 1.00 0.00 O ATOM 533 CB LYS A 41 -10.674 -0.606 2.882 1.00 0.00 C ATOM 534 CG LYS A 41 -9.935 0.415 2.013 1.00 0.00 C ATOM 535 CD LYS A 41 -10.319 1.877 2.285 1.00 0.00 C ATOM 536 CE LYS A 41 -9.294 2.847 1.672 1.00 0.00 C ATOM 537 NZ LYS A 41 -9.087 2.633 0.222 1.00 0.00 N ATOM 0 H LYS A 41 -12.356 -1.877 4.274 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.526 0.202 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.610 -0.297 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.171 -1.570 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.863 0.299 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.130 0.190 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.307 2.079 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.384 2.044 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.628 3.871 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.341 2.734 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.595 3.455 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.512 1.779 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.008 2.515 -0.246 1.00 0.00 H new ATOM 547 N PRO A 42 -12.655 -1.244 0.113 1.00 0.00 N ATOM 548 CA PRO A 42 -12.727 -2.077 -1.075 1.00 0.00 C ATOM 549 C PRO A 42 -11.329 -2.377 -1.639 1.00 0.00 C ATOM 550 O PRO A 42 -11.120 -3.440 -2.217 1.00 0.00 O ATOM 551 CB PRO A 42 -13.590 -1.278 -2.055 1.00 0.00 C ATOM 552 CG PRO A 42 -13.332 0.181 -1.670 1.00 0.00 C ATOM 553 CD PRO A 42 -13.082 0.116 -0.161 1.00 0.00 C ATOM 0 HA PRO A 42 -13.157 -3.057 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.306 -1.474 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.645 -1.536 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.473 0.590 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.186 0.816 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.318 0.833 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.986 0.361 0.396 1.00 0.00 H new ATOM 558 N VAL A 43 -10.381 -1.442 -1.487 1.00 0.00 N ATOM 559 CA VAL A 43 -9.004 -1.579 -1.956 1.00 0.00 C ATOM 560 C VAL A 43 -8.037 -0.956 -0.945 1.00 0.00 C ATOM 561 O VAL A 43 -8.231 0.193 -0.535 1.00 0.00 O ATOM 562 CB VAL A 43 -8.813 -0.928 -3.342 1.00 0.00 C ATOM 563 CG1 VAL A 43 -9.299 -1.848 -4.464 1.00 0.00 C ATOM 564 CG2 VAL A 43 -9.496 0.439 -3.493 1.00 0.00 C ATOM 0 H VAL A 43 -10.559 -0.551 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.788 -2.643 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.738 -0.767 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.150 -1.358 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.735 -2.780 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.359 -2.061 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.314 0.828 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.569 0.329 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.091 1.132 -2.755 1.00 0.00 H new ATOM 574 N ASN A 44 -6.997 -1.689 -0.548 1.00 0.00 N ATOM 575 CA ASN A 44 -5.860 -1.180 0.208 1.00 0.00 C ATOM 576 C ASN A 44 -4.648 -2.007 -0.210 1.00 0.00 C ATOM 577 O ASN A 44 -4.831 -3.117 -0.700 1.00 0.00 O ATOM 578 CB ASN A 44 -6.119 -1.318 1.713 1.00 0.00 C ATOM 579 CG ASN A 44 -5.164 -0.475 2.561 1.00 0.00 C ATOM 580 OD1 ASN A 44 -4.199 0.100 2.064 1.00 0.00 O ATOM 581 ND2 ASN A 44 -5.446 -0.356 3.854 1.00 0.00 N ATOM 0 H ASN A 44 -6.923 -2.686 -0.752 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.693 -0.122 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.146 -1.022 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.022 -2.365 1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.856 0.221 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.252 -0.842 4.247 1.00 0.00 H new ATOM 587 N THR A 45 -3.431 -1.501 -0.012 1.00 0.00 N ATOM 588 CA THR A 45 -2.218 -2.187 -0.425 1.00 0.00 C ATOM 589 C THR A 45 -1.257 -2.272 0.754 1.00 0.00 C ATOM 590 O THR A 45 -0.647 -1.275 1.144 1.00 0.00 O ATOM 591 CB THR A 45 -1.612 -1.504 -1.658 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.622 -1.241 -2.614 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.537 -2.392 -2.289 1.00 0.00 C ATOM 0 H THR A 45 -3.264 -0.602 0.440 1.00 0.00 H new ATOM 0 HA THR A 45 -2.445 -3.209 -0.727 1.00 0.00 H new ATOM 0 HB THR A 45 -1.158 -0.565 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.896 -2.080 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.118 -1.892 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.254 -2.577 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.980 -3.340 -2.592 1.00 0.00 H new ATOM 601 N PHE A 46 -1.146 -3.467 1.338 1.00 0.00 N ATOM 602 CA PHE A 46 -0.316 -3.722 2.498 1.00 0.00 C ATOM 603 C PHE A 46 1.092 -4.106 2.047 1.00 0.00 C ATOM 604 O PHE A 46 1.346 -5.258 1.701 1.00 0.00 O ATOM 605 CB PHE A 46 -0.946 -4.823 3.357 1.00 0.00 C ATOM 606 CG PHE A 46 -2.304 -4.543 3.975 1.00 0.00 C ATOM 607 CD1 PHE A 46 -2.656 -3.245 4.391 1.00 0.00 C ATOM 608 CD2 PHE A 46 -3.118 -5.628 4.344 1.00 0.00 C ATOM 609 CE1 PHE A 46 -3.783 -3.038 5.207 1.00 0.00 C ATOM 610 CE2 PHE A 46 -4.261 -5.414 5.129 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.577 -4.132 5.589 1.00 0.00 C ATOM 0 H PHE A 46 -1.643 -4.294 1.006 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.245 -2.820 3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.035 -5.719 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.252 -5.058 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.056 -2.402 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.863 -6.627 4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.037 -2.042 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.902 -6.246 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.429 -3.983 6.236 1.00 0.00 H new ATOM 620 N VAL A 47 2.016 -3.148 2.073 1.00 0.00 N ATOM 621 CA VAL A 47 3.424 -3.407 1.830 1.00 0.00 C ATOM 622 C VAL A 47 3.966 -4.203 3.020 1.00 0.00 C ATOM 623 O VAL A 47 3.760 -3.821 4.172 1.00 0.00 O ATOM 624 CB VAL A 47 4.192 -2.082 1.663 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.685 -2.356 1.442 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.686 -1.236 0.487 1.00 0.00 C ATOM 0 H VAL A 47 1.804 -2.169 2.264 1.00 0.00 H new ATOM 0 HA VAL A 47 3.553 -3.977 0.910 1.00 0.00 H new ATOM 0 HB VAL A 47 4.026 -1.523 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.215 -1.411 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.087 -2.894 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.815 -2.958 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.268 -0.316 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.795 -1.799 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.635 -0.991 0.641 1.00 0.00 H new ATOM 636 N HIS A 48 4.678 -5.291 2.738 1.00 0.00 N ATOM 637 CA HIS A 48 5.442 -6.033 3.721 1.00 0.00 C ATOM 638 C HIS A 48 6.884 -6.008 3.217 1.00 0.00 C ATOM 639 O HIS A 48 7.099 -6.374 2.071 1.00 0.00 O ATOM 640 CB HIS A 48 4.839 -7.451 3.848 1.00 0.00 C ATOM 641 CG HIS A 48 5.856 -8.520 4.142 1.00 0.00 C ATOM 642 ND1 HIS A 48 6.411 -8.791 5.376 1.00 0.00 N ATOM 643 CD2 HIS A 48 6.702 -9.006 3.186 1.00 0.00 C ATOM 644 CE1 HIS A 48 7.610 -9.365 5.170 1.00 0.00 C ATOM 645 NE2 HIS A 48 7.813 -9.483 3.844 1.00 0.00 N ATOM 0 H HIS A 48 4.737 -5.685 1.799 1.00 0.00 H new ATOM 0 HA HIS A 48 5.413 -5.611 4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.090 -7.447 4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.322 -7.700 2.921 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.988 -8.592 6.282 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.532 -9.014 2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.297 -9.680 5.942 1.00 0.00 H new ATOM 653 N GLU A 49 7.835 -5.580 4.059 1.00 0.00 N ATOM 654 CA GLU A 49 9.290 -5.659 3.912 1.00 0.00 C ATOM 655 C GLU A 49 9.905 -4.737 4.976 1.00 0.00 C ATOM 656 O GLU A 49 9.211 -4.321 5.906 1.00 0.00 O ATOM 657 CB GLU A 49 9.803 -5.359 2.476 1.00 0.00 C ATOM 658 CG GLU A 49 10.617 -6.534 1.898 1.00 0.00 C ATOM 659 CD GLU A 49 9.801 -7.803 1.653 1.00 0.00 C ATOM 660 OE1 GLU A 49 9.142 -7.882 0.594 1.00 0.00 O ATOM 661 OE2 GLU A 49 9.858 -8.694 2.534 1.00 0.00 O ATOM 0 H GLU A 49 7.580 -5.130 4.938 1.00 0.00 H new ATOM 0 HA GLU A 49 9.610 -6.689 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.955 -5.150 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.422 -4.462 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.069 -6.220 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.433 -6.767 2.582 1.00 0.00 H new ATOM 666 N SER A 50 11.188 -4.409 4.835 1.00 0.00 N ATOM 667 CA SER A 50 11.955 -3.517 5.690 1.00 0.00 C ATOM 668 C SER A 50 11.435 -2.068 5.678 1.00 0.00 C ATOM 669 O SER A 50 11.590 -1.354 4.687 1.00 0.00 O ATOM 670 CB SER A 50 13.397 -3.573 5.186 1.00 0.00 C ATOM 671 OG SER A 50 13.792 -4.926 5.057 1.00 0.00 O ATOM 0 H SER A 50 11.751 -4.785 4.072 1.00 0.00 H new ATOM 0 HA SER A 50 11.867 -3.843 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.479 -3.064 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.058 -3.053 5.880 1.00 0.00 H new ATOM 0 HG SER A 50 14.716 -4.968 4.732 1.00 0.00 H new ATOM 676 N LEU A 51 10.882 -1.601 6.802 1.00 0.00 N ATOM 677 CA LEU A 51 10.362 -0.243 6.984 1.00 0.00 C ATOM 678 C LEU A 51 11.332 0.841 6.494 1.00 0.00 C ATOM 679 O LEU A 51 10.955 1.747 5.751 1.00 0.00 O ATOM 680 CB LEU A 51 10.012 -0.053 8.468 1.00 0.00 C ATOM 681 CG LEU A 51 9.342 1.294 8.786 1.00 0.00 C ATOM 682 CD1 LEU A 51 7.998 1.440 8.062 1.00 0.00 C ATOM 683 CD2 LEU A 51 9.114 1.394 10.298 1.00 0.00 C ATOM 0 H LEU A 51 10.781 -2.177 7.637 1.00 0.00 H new ATOM 0 HA LEU A 51 9.469 -0.129 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.349 -0.860 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.923 -0.142 9.060 1.00 0.00 H new ATOM 0 HG LEU A 51 10.000 2.092 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.554 2.404 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.156 1.380 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.327 0.640 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.639 2.347 10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.469 0.578 10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.071 1.329 10.815 1.00 0.00 H new ATOM 694 N ALA A 52 12.596 0.756 6.915 1.00 0.00 N ATOM 695 CA ALA A 52 13.600 1.745 6.546 1.00 0.00 C ATOM 696 C ALA A 52 13.806 1.813 5.028 1.00 0.00 C ATOM 697 O ALA A 52 14.170 2.862 4.497 1.00 0.00 O ATOM 698 CB ALA A 52 14.918 1.424 7.254 1.00 0.00 C ATOM 0 H ALA A 52 12.945 0.008 7.514 1.00 0.00 H new ATOM 0 HA ALA A 52 13.244 2.725 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.669 2.164 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.766 1.446 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.259 0.432 6.956 1.00 0.00 H new ATOM 704 N ASP A 53 13.568 0.706 4.315 1.00 0.00 N ATOM 705 CA ASP A 53 13.735 0.689 2.873 1.00 0.00 C ATOM 706 C ASP A 53 12.693 1.618 2.258 1.00 0.00 C ATOM 707 O ASP A 53 13.046 2.529 1.522 1.00 0.00 O ATOM 708 CB ASP A 53 13.657 -0.746 2.345 1.00 0.00 C ATOM 709 CG ASP A 53 14.392 -0.909 1.027 1.00 0.00 C ATOM 710 OD1 ASP A 53 14.264 -0.046 0.135 1.00 0.00 O ATOM 711 OD2 ASP A 53 15.127 -1.912 0.896 1.00 0.00 O ATOM 0 H ASP A 53 13.262 -0.180 4.718 1.00 0.00 H new ATOM 0 HA ASP A 53 14.721 1.057 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.081 -1.427 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.612 -1.028 2.214 1.00 0.00 H new ATOM 715 N VAL A 54 11.420 1.470 2.649 1.00 0.00 N ATOM 716 CA VAL A 54 10.360 2.423 2.309 1.00 0.00 C ATOM 717 C VAL A 54 10.810 3.867 2.559 1.00 0.00 C ATOM 718 O VAL A 54 10.637 4.719 1.685 1.00 0.00 O ATOM 719 CB VAL A 54 9.044 2.049 3.022 1.00 0.00 C ATOM 720 CG1 VAL A 54 8.099 3.234 3.248 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.306 1.010 2.177 1.00 0.00 C ATOM 0 H VAL A 54 11.098 0.683 3.212 1.00 0.00 H new ATOM 0 HA VAL A 54 10.156 2.362 1.240 1.00 0.00 H new ATOM 0 HB VAL A 54 9.323 1.668 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.197 2.889 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.596 3.984 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.830 3.673 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.373 0.736 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.088 1.428 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.930 0.123 2.064 1.00 0.00 H new ATOM 731 N LYS A 55 11.400 4.143 3.726 1.00 0.00 N ATOM 732 CA LYS A 55 12.026 5.441 3.996 1.00 0.00 C ATOM 733 C LYS A 55 12.930 5.861 2.826 1.00 0.00 C ATOM 734 O LYS A 55 12.765 6.945 2.267 1.00 0.00 O ATOM 735 CB LYS A 55 12.807 5.395 5.322 1.00 0.00 C ATOM 736 CG LYS A 55 12.425 6.492 6.318 1.00 0.00 C ATOM 737 CD LYS A 55 11.172 6.068 7.097 1.00 0.00 C ATOM 738 CE LYS A 55 10.733 7.195 8.043 1.00 0.00 C ATOM 739 NZ LYS A 55 9.354 7.016 8.532 1.00 0.00 N ATOM 0 H LYS A 55 11.457 3.482 4.501 1.00 0.00 H new ATOM 0 HA LYS A 55 11.243 6.193 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.647 4.424 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.872 5.473 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.249 6.674 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.238 7.427 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.366 5.830 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.378 5.163 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.414 7.237 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.810 8.151 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.227 7.550 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.684 7.365 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.177 6.007 8.709 1.00 0.00 H new ATOM 749 N ALA A 56 13.873 4.991 2.448 1.00 0.00 N ATOM 750 CA ALA A 56 14.796 5.241 1.348 1.00 0.00 C ATOM 751 C ALA A 56 14.073 5.461 0.014 1.00 0.00 C ATOM 752 O ALA A 56 14.415 6.405 -0.694 1.00 0.00 O ATOM 753 CB ALA A 56 15.833 4.117 1.246 1.00 0.00 C ATOM 0 H ALA A 56 14.014 4.089 2.903 1.00 0.00 H new ATOM 0 HA ALA A 56 15.319 6.171 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.512 4.323 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.400 4.059 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.325 3.168 1.071 1.00 0.00 H new ATOM 759 N VAL A 57 13.095 4.613 -0.339 1.00 0.00 N ATOM 760 CA VAL A 57 12.349 4.658 -1.600 1.00 0.00 C ATOM 761 C VAL A 57 11.943 6.086 -1.965 1.00 0.00 C ATOM 762 O VAL A 57 12.201 6.556 -3.073 1.00 0.00 O ATOM 763 CB VAL A 57 11.107 3.746 -1.547 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.243 3.936 -2.802 1.00 0.00 C ATOM 765 CG2 VAL A 57 11.502 2.268 -1.435 1.00 0.00 C ATOM 0 H VAL A 57 12.793 3.851 0.269 1.00 0.00 H new ATOM 0 HA VAL A 57 13.016 4.288 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 57 10.538 4.028 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.371 3.284 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.916 4.974 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.827 3.685 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.603 1.653 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.102 1.985 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.082 2.114 -0.525 1.00 0.00 H new ATOM 775 N CYS A 58 11.288 6.781 -1.037 1.00 0.00 N ATOM 776 CA CYS A 58 10.862 8.154 -1.278 1.00 0.00 C ATOM 777 C CYS A 58 12.038 9.051 -1.660 1.00 0.00 C ATOM 778 O CYS A 58 11.889 9.917 -2.509 1.00 0.00 O ATOM 779 CB CYS A 58 10.069 8.682 -0.086 1.00 0.00 C ATOM 780 SG CYS A 58 10.377 10.364 0.497 1.00 0.00 S ATOM 0 H CYS A 58 11.043 6.416 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 58 10.192 8.165 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.011 8.610 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.245 8.006 0.751 1.00 0.00 H new ATOM 784 N SER A 59 13.228 8.820 -1.109 1.00 0.00 N ATOM 785 CA SER A 59 14.421 9.550 -1.505 1.00 0.00 C ATOM 786 C SER A 59 15.240 8.724 -2.513 1.00 0.00 C ATOM 787 O SER A 59 16.464 8.664 -2.402 1.00 0.00 O ATOM 788 CB SER A 59 15.213 9.908 -0.237 1.00 0.00 C ATOM 789 OG SER A 59 15.982 11.076 -0.460 1.00 0.00 O ATOM 0 H SER A 59 13.388 8.125 -0.380 1.00 0.00 H new ATOM 0 HA SER A 59 14.160 10.478 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.529 10.067 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.866 9.080 0.040 1.00 0.00 H new ATOM 0 HG SER A 59 16.576 10.935 -1.227 1.00 0.00 H new ATOM 794 N GLN A 60 14.581 8.068 -3.478 1.00 0.00 N ATOM 795 CA GLN A 60 15.222 7.221 -4.482 1.00 0.00 C ATOM 796 C GLN A 60 14.942 7.760 -5.898 1.00 0.00 C ATOM 797 O GLN A 60 15.308 8.897 -6.185 1.00 0.00 O ATOM 798 CB GLN A 60 14.810 5.764 -4.214 1.00 0.00 C ATOM 799 CG GLN A 60 15.887 4.740 -4.586 1.00 0.00 C ATOM 800 CD GLN A 60 16.949 4.534 -3.500 1.00 0.00 C ATOM 801 OE1 GLN A 60 17.580 3.482 -3.464 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.157 5.491 -2.597 1.00 0.00 N ATOM 0 H GLN A 60 13.567 8.115 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 60 16.309 7.243 -4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.566 5.653 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.902 5.543 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.408 3.784 -4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.378 5.061 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.624 6.359 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.850 5.356 -1.861 1.00 0.00 H new ATOM 809 N LYS A 61 14.294 6.995 -6.789 1.00 0.00 N ATOM 810 CA LYS A 61 13.974 7.438 -8.143 1.00 0.00 C ATOM 811 C LYS A 61 12.538 7.967 -8.222 1.00 0.00 C ATOM 812 O LYS A 61 11.599 7.173 -8.198 1.00 0.00 O ATOM 813 CB LYS A 61 14.128 6.268 -9.122 1.00 0.00 C ATOM 814 CG LYS A 61 15.581 5.802 -9.279 1.00 0.00 C ATOM 815 CD LYS A 61 15.677 4.534 -10.141 1.00 0.00 C ATOM 816 CE LYS A 61 15.146 4.752 -11.569 1.00 0.00 C ATOM 817 NZ LYS A 61 15.296 3.548 -12.414 1.00 0.00 N ATOM 0 H LYS A 61 13.978 6.047 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 61 14.662 8.241 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.520 5.432 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.740 6.564 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.172 6.597 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.010 5.608 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.716 4.209 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.113 3.731 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.094 5.033 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.678 5.584 -12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.925 3.743 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.302 3.294 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.767 2.759 -11.991 1.00 0.00 H new ATOM 827 N LYS A 62 12.360 9.286 -8.354 1.00 0.00 N ATOM 828 CA LYS A 62 11.065 9.881 -8.675 1.00 0.00 C ATOM 829 C LYS A 62 10.622 9.344 -10.039 1.00 0.00 C ATOM 830 O LYS A 62 11.448 9.272 -10.948 1.00 0.00 O ATOM 831 CB LYS A 62 11.174 11.419 -8.649 1.00 0.00 C ATOM 832 CG LYS A 62 9.838 12.128 -8.360 1.00 0.00 C ATOM 833 CD LYS A 62 9.002 12.371 -9.627 1.00 0.00 C ATOM 834 CE LYS A 62 7.532 12.679 -9.308 1.00 0.00 C ATOM 835 NZ LYS A 62 7.358 13.932 -8.547 1.00 0.00 N ATOM 0 H LYS A 62 13.111 9.967 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 62 10.311 9.611 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.901 11.710 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.558 11.764 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.259 11.528 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.037 13.083 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.431 13.201 -10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.055 11.491 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.970 12.745 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.109 11.852 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.363 14.231 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.627 13.776 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.961 14.674 -8.957 1.00 0.00 H new ATOM 845 N VAL A 63 9.348 8.965 -10.193 1.00 0.00 N ATOM 846 CA VAL A 63 8.821 8.485 -11.470 1.00 0.00 C ATOM 847 C VAL A 63 7.586 9.284 -11.877 1.00 0.00 C ATOM 848 O VAL A 63 6.936 9.914 -11.042 1.00 0.00 O ATOM 849 CB VAL A 63 8.542 6.971 -11.421 1.00 0.00 C ATOM 850 CG1 VAL A 63 9.849 6.183 -11.279 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.570 6.579 -10.300 1.00 0.00 C ATOM 0 H VAL A 63 8.660 8.983 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 63 9.579 8.643 -12.238 1.00 0.00 H new ATOM 0 HB VAL A 63 8.063 6.716 -12.367 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.629 5.116 -11.246 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.496 6.394 -12.131 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.353 6.478 -10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.412 5.501 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.989 6.871 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.617 7.087 -10.450 1.00 0.00 H new ATOM 861 N THR A 64 7.270 9.270 -13.173 1.00 0.00 N ATOM 862 CA THR A 64 6.071 9.899 -13.692 1.00 0.00 C ATOM 863 C THR A 64 4.863 9.043 -13.322 1.00 0.00 C ATOM 864 O THR A 64 4.436 8.171 -14.076 1.00 0.00 O ATOM 865 CB THR A 64 6.190 10.123 -15.202 1.00 0.00 C ATOM 866 OG1 THR A 64 7.438 10.729 -15.478 1.00 0.00 O ATOM 867 CG2 THR A 64 5.055 11.043 -15.673 1.00 0.00 C ATOM 0 H THR A 64 7.843 8.820 -13.887 1.00 0.00 H new ATOM 0 HA THR A 64 5.940 10.884 -13.244 1.00 0.00 H new ATOM 0 HB THR A 64 6.120 9.170 -15.726 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.524 10.875 -16.443 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.139 11.203 -16.748 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.094 10.579 -15.449 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.125 12.001 -15.157 1.00 0.00 H new ATOM 875 N CYS A 65 4.344 9.312 -12.129 1.00 0.00 N ATOM 876 CA CYS A 65 3.093 8.782 -11.593 1.00 0.00 C ATOM 877 C CYS A 65 1.981 8.939 -12.634 1.00 0.00 C ATOM 878 O CYS A 65 2.049 9.850 -13.462 1.00 0.00 O ATOM 879 CB CYS A 65 2.719 9.541 -10.310 1.00 0.00 C ATOM 880 SG CYS A 65 4.108 9.942 -9.225 1.00 0.00 S ATOM 0 H CYS A 65 4.809 9.940 -11.473 1.00 0.00 H new ATOM 0 HA CYS A 65 3.218 7.725 -11.359 1.00 0.00 H new ATOM 0 HB2 CYS A 65 2.216 10.467 -10.588 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.000 8.943 -9.749 1.00 0.00 H new ATOM 884 N LYS A 66 0.959 8.079 -12.603 1.00 0.00 N ATOM 885 CA LYS A 66 -0.139 8.059 -13.570 1.00 0.00 C ATOM 886 C LYS A 66 -1.117 9.217 -13.297 1.00 0.00 C ATOM 887 O LYS A 66 -2.308 9.001 -13.069 1.00 0.00 O ATOM 888 CB LYS A 66 -0.816 6.684 -13.494 1.00 0.00 C ATOM 889 CG LYS A 66 -1.838 6.444 -14.619 1.00 0.00 C ATOM 890 CD LYS A 66 -3.052 5.639 -14.132 1.00 0.00 C ATOM 891 CE LYS A 66 -3.970 6.507 -13.250 1.00 0.00 C ATOM 892 NZ LYS A 66 -5.171 5.782 -12.795 1.00 0.00 N ATOM 0 H LYS A 66 0.871 7.359 -11.886 1.00 0.00 H new ATOM 0 HA LYS A 66 0.233 8.208 -14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.052 5.908 -13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.317 6.586 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.174 7.403 -15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.356 5.912 -15.439 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.612 5.264 -14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.714 4.770 -13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.410 6.856 -12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.274 7.392 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.754 6.411 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.722 5.471 -13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.885 4.952 -12.237 1.00 0.00 H new ATOM 902 N ASP A 67 -0.592 10.441 -13.368 1.00 0.00 N ATOM 903 CA ASP A 67 -1.175 11.690 -12.895 1.00 0.00 C ATOM 904 C ASP A 67 -0.111 12.793 -12.967 1.00 0.00 C ATOM 905 O ASP A 67 -0.429 13.938 -13.274 1.00 0.00 O ATOM 906 CB ASP A 67 -1.681 11.554 -11.448 1.00 0.00 C ATOM 907 CG ASP A 67 -0.593 11.055 -10.508 1.00 0.00 C ATOM 908 OD1 ASP A 67 -0.430 9.821 -10.435 1.00 0.00 O ATOM 909 OD2 ASP A 67 0.098 11.919 -9.926 1.00 0.00 O ATOM 0 H ASP A 67 0.323 10.593 -13.791 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.026 11.942 -13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.046 12.520 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.526 10.866 -11.423 1.00 0.00 H new ATOM 913 N GLY A 68 1.155 12.447 -12.698 1.00 0.00 N ATOM 914 CA GLY A 68 2.268 13.383 -12.651 1.00 0.00 C ATOM 915 C GLY A 68 2.009 14.494 -11.635 1.00 0.00 C ATOM 916 O GLY A 68 2.323 15.656 -11.889 1.00 0.00 O ATOM 0 H GLY A 68 1.432 11.485 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.183 12.852 -12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.424 13.818 -13.638 1.00 0.00 H new ATOM 919 N GLN A 69 1.439 14.130 -10.485 1.00 0.00 N ATOM 920 CA GLN A 69 0.897 15.045 -9.495 1.00 0.00 C ATOM 921 C GLN A 69 1.295 14.561 -8.104 1.00 0.00 C ATOM 922 O GLN A 69 1.836 15.337 -7.316 1.00 0.00 O ATOM 923 CB GLN A 69 -0.627 15.115 -9.670 1.00 0.00 C ATOM 924 CG GLN A 69 -1.287 16.112 -8.710 1.00 0.00 C ATOM 925 CD GLN A 69 -2.787 16.237 -8.959 1.00 0.00 C ATOM 926 OE1 GLN A 69 -3.304 17.335 -9.127 1.00 0.00 O ATOM 927 NE2 GLN A 69 -3.508 15.119 -8.978 1.00 0.00 N ATOM 0 H GLN A 69 1.342 13.152 -10.213 1.00 0.00 H new ATOM 0 HA GLN A 69 1.297 16.051 -9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.858 15.398 -10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.053 14.125 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.115 15.793 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.818 17.089 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.054 14.217 -8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.515 15.164 -9.135 1.00 0.00 H new ATOM 934 N THR A 70 1.054 13.285 -7.788 1.00 0.00 N ATOM 935 CA THR A 70 1.609 12.712 -6.575 1.00 0.00 C ATOM 936 C THR A 70 3.129 12.780 -6.682 1.00 0.00 C ATOM 937 O THR A 70 3.710 12.573 -7.749 1.00 0.00 O ATOM 938 CB THR A 70 1.117 11.273 -6.359 1.00 0.00 C ATOM 939 OG1 THR A 70 1.425 10.476 -7.473 1.00 0.00 O ATOM 940 CG2 THR A 70 -0.395 11.252 -6.137 1.00 0.00 C ATOM 0 H THR A 70 0.489 12.646 -8.348 1.00 0.00 H new ATOM 0 HA THR A 70 1.275 13.278 -5.705 1.00 0.00 H new ATOM 0 HB THR A 70 1.620 10.876 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.368 9.530 -7.224 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.726 10.225 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.642 11.846 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.897 11.670 -7.010 1.00 0.00 H new ATOM 948 N ASN A 71 3.815 13.106 -5.587 1.00 0.00 N ATOM 949 CA ASN A 71 5.264 13.162 -5.643 1.00 0.00 C ATOM 950 C ASN A 71 5.832 11.757 -5.434 1.00 0.00 C ATOM 951 O ASN A 71 6.495 11.499 -4.432 1.00 0.00 O ATOM 952 CB ASN A 71 5.811 14.171 -4.637 1.00 0.00 C ATOM 953 CG ASN A 71 7.327 14.277 -4.778 1.00 0.00 C ATOM 954 OD1 ASN A 71 7.851 14.233 -5.895 1.00 0.00 O ATOM 955 ND2 ASN A 71 8.035 14.406 -3.663 1.00 0.00 N ATOM 0 H ASN A 71 3.402 13.328 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 71 5.581 13.511 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.353 15.146 -4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.552 13.864 -3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.052 14.473 -3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.562 14.438 -2.760 1.00 0.00 H new ATOM 961 N CYS A 72 5.514 10.833 -6.344 1.00 0.00 N ATOM 962 CA CYS A 72 5.799 9.409 -6.163 1.00 0.00 C ATOM 963 C CYS A 72 7.154 8.962 -6.723 1.00 0.00 C ATOM 964 O CYS A 72 7.669 9.515 -7.699 1.00 0.00 O ATOM 965 CB CYS A 72 4.663 8.510 -6.660 1.00 0.00 C ATOM 966 SG CYS A 72 4.742 8.146 -8.426 1.00 0.00 S ATOM 0 H CYS A 72 5.052 11.052 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 72 5.869 9.284 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.684 7.573 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.709 8.990 -6.440 1.00 0.00 H new ATOM 970 N TYR A 73 7.741 7.970 -6.047 1.00 0.00 N ATOM 971 CA TYR A 73 9.060 7.420 -6.308 1.00 0.00 C ATOM 972 C TYR A 73 8.976 5.899 -6.353 1.00 0.00 C ATOM 973 O TYR A 73 8.265 5.311 -5.537 1.00 0.00 O ATOM 974 CB TYR A 73 10.020 7.817 -5.181 1.00 0.00 C ATOM 975 CG TYR A 73 10.569 9.231 -5.220 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.738 10.338 -4.984 1.00 0.00 C ATOM 977 CD2 TYR A 73 11.952 9.428 -5.348 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.288 11.629 -4.905 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.504 10.719 -5.302 1.00 0.00 C ATOM 980 CZ TYR A 73 11.672 11.816 -5.033 1.00 0.00 C ATOM 981 OH TYR A 73 12.189 13.075 -4.961 1.00 0.00 O ATOM 0 H TYR A 73 7.278 7.510 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 73 9.422 7.808 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.505 7.678 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.862 7.125 -5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.674 10.197 -4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.601 8.576 -5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.643 12.480 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.560 10.866 -5.472 1.00 0.00 H new ATOM 0 HH TYR A 73 13.162 13.035 -5.067 1.00 0.00 H new ATOM 990 N GLN A 74 9.721 5.279 -7.277 1.00 0.00 N ATOM 991 CA GLN A 74 9.816 3.833 -7.431 1.00 0.00 C ATOM 992 C GLN A 74 10.955 3.289 -6.576 1.00 0.00 C ATOM 993 O GLN A 74 12.068 3.818 -6.591 1.00 0.00 O ATOM 994 CB GLN A 74 10.010 3.459 -8.912 1.00 0.00 C ATOM 995 CG GLN A 74 10.127 1.939 -9.146 1.00 0.00 C ATOM 996 CD GLN A 74 10.344 1.582 -10.616 1.00 0.00 C ATOM 997 OE1 GLN A 74 11.235 2.138 -11.255 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.583 0.642 -11.178 1.00 0.00 N ATOM 0 H GLN A 74 10.288 5.789 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 74 8.885 3.380 -7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.171 3.845 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.908 3.948 -9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.955 1.548 -8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.221 1.450 -8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.847 0.189 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.737 0.376 -12.151 1.00 0.00 H new ATOM 1005 N SER A 75 10.679 2.205 -5.850 1.00 0.00 N ATOM 1006 CA SER A 75 11.675 1.512 -5.058 1.00 0.00 C ATOM 1007 C SER A 75 12.756 0.889 -5.944 1.00 0.00 C ATOM 1008 O SER A 75 12.464 0.348 -7.007 1.00 0.00 O ATOM 1009 CB SER A 75 10.961 0.490 -4.166 1.00 0.00 C ATOM 1010 OG SER A 75 10.358 -0.537 -4.917 1.00 0.00 O ATOM 0 H SER A 75 9.750 1.787 -5.800 1.00 0.00 H new ATOM 0 HA SER A 75 12.203 2.216 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.677 0.056 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.202 0.997 -3.570 1.00 0.00 H new ATOM 0 HG SER A 75 10.929 -1.333 -4.901 1.00 0.00 H new ATOM 1015 N LYS A 76 14.011 0.958 -5.494 1.00 0.00 N ATOM 1016 CA LYS A 76 15.144 0.316 -6.151 1.00 0.00 C ATOM 1017 C LYS A 76 14.868 -1.174 -6.396 1.00 0.00 C ATOM 1018 O LYS A 76 15.023 -1.682 -7.504 1.00 0.00 O ATOM 1019 CB LYS A 76 16.423 0.518 -5.312 1.00 0.00 C ATOM 1020 CG LYS A 76 16.190 0.456 -3.791 1.00 0.00 C ATOM 1021 CD LYS A 76 17.457 0.093 -3.010 1.00 0.00 C ATOM 1022 CE LYS A 76 17.103 -0.173 -1.537 1.00 0.00 C ATOM 1023 NZ LYS A 76 16.467 -1.493 -1.325 1.00 0.00 N ATOM 0 H LYS A 76 14.269 1.470 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 76 15.293 0.782 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.151 -0.244 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.861 1.484 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.820 1.421 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.414 -0.279 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.924 -0.790 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.182 0.904 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.009 -0.111 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.431 0.609 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.144 -1.568 -0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.653 -1.593 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.157 -2.246 -1.522 1.00 0.00 H new ATOM 1033 N SER A 77 14.475 -1.869 -5.332 1.00 0.00 N ATOM 1034 CA SER A 77 14.308 -3.302 -5.243 1.00 0.00 C ATOM 1035 C SER A 77 12.818 -3.626 -5.306 1.00 0.00 C ATOM 1036 O SER A 77 11.984 -2.725 -5.211 1.00 0.00 O ATOM 1037 CB SER A 77 14.933 -3.729 -3.906 1.00 0.00 C ATOM 1038 OG SER A 77 14.663 -2.759 -2.897 1.00 0.00 O ATOM 0 H SER A 77 14.251 -1.405 -4.452 1.00 0.00 H new ATOM 0 HA SER A 77 14.792 -3.836 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.534 -4.697 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.010 -3.850 -4.023 1.00 0.00 H new ATOM 0 HG SER A 77 14.614 -3.201 -2.023 1.00 0.00 H new ATOM 1043 N THR A 78 12.480 -4.904 -5.467 1.00 0.00 N ATOM 1044 CA THR A 78 11.124 -5.385 -5.312 1.00 0.00 C ATOM 1045 C THR A 78 10.837 -5.563 -3.816 1.00 0.00 C ATOM 1046 O THR A 78 11.754 -5.837 -3.041 1.00 0.00 O ATOM 1047 CB THR A 78 11.004 -6.703 -6.087 1.00 0.00 C ATOM 1048 OG1 THR A 78 12.149 -7.493 -5.829 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.955 -6.444 -7.596 1.00 0.00 C ATOM 0 H THR A 78 13.150 -5.634 -5.710 1.00 0.00 H new ATOM 0 HA THR A 78 10.391 -4.683 -5.708 1.00 0.00 H new ATOM 0 HB THR A 78 10.090 -7.205 -5.769 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.080 -8.339 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.870 -7.393 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.093 -5.819 -7.830 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.867 -5.935 -7.908 1.00 0.00 H new ATOM 1057 N MET A 79 9.575 -5.400 -3.411 1.00 0.00 N ATOM 1058 CA MET A 79 9.078 -5.715 -2.079 1.00 0.00 C ATOM 1059 C MET A 79 7.741 -6.426 -2.277 1.00 0.00 C ATOM 1060 O MET A 79 7.061 -6.135 -3.263 1.00 0.00 O ATOM 1061 CB MET A 79 8.844 -4.426 -1.283 1.00 0.00 C ATOM 1062 CG MET A 79 10.125 -3.702 -0.852 1.00 0.00 C ATOM 1063 SD MET A 79 10.917 -2.647 -2.092 1.00 0.00 S ATOM 1064 CE MET A 79 12.127 -1.835 -1.034 1.00 0.00 C ATOM 0 H MET A 79 8.850 -5.032 -4.027 1.00 0.00 H new ATOM 0 HA MET A 79 9.793 -6.331 -1.533 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.243 -3.746 -1.886 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.260 -4.664 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.893 -3.089 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.848 -4.452 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.583 -1.005 -1.573 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.633 -1.458 -0.139 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.899 -2.550 -0.749 1.00 0.00 H new ATOM 1072 N ARG A 80 7.348 -7.341 -1.384 1.00 0.00 N ATOM 1073 CA ARG A 80 6.045 -7.968 -1.503 1.00 0.00 C ATOM 1074 C ARG A 80 4.947 -7.044 -0.980 1.00 0.00 C ATOM 1075 O ARG A 80 4.940 -6.658 0.190 1.00 0.00 O ATOM 1076 CB ARG A 80 5.991 -9.331 -0.815 1.00 0.00 C ATOM 1077 CG ARG A 80 4.868 -10.163 -1.457 1.00 0.00 C ATOM 1078 CD ARG A 80 5.413 -11.457 -2.068 1.00 0.00 C ATOM 1079 NE ARG A 80 5.284 -12.547 -1.098 1.00 0.00 N ATOM 1080 CZ ARG A 80 5.628 -13.830 -1.277 1.00 0.00 C ATOM 1081 NH1 ARG A 80 6.311 -14.227 -2.351 1.00 0.00 N ATOM 1082 NH2 ARG A 80 5.251 -14.715 -0.351 1.00 0.00 N ATOM 0 H ARG A 80 7.907 -7.653 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 80 5.870 -8.144 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.947 -9.844 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.808 -9.209 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.115 -10.402 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.373 -9.574 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.866 -11.700 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.458 -11.327 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 80 4.890 -12.304 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.585 -13.548 -3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.560 -15.210 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.718 -14.407 0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.496 -15.699 -0.457 1.00 0.00 H new ATOM 1093 N ILE A 81 3.976 -6.733 -1.836 1.00 0.00 N ATOM 1094 CA ILE A 81 2.749 -6.086 -1.424 1.00 0.00 C ATOM 1095 C ILE A 81 1.656 -7.137 -1.358 1.00 0.00 C ATOM 1096 O ILE A 81 1.389 -7.823 -2.342 1.00 0.00 O ATOM 1097 CB ILE A 81 2.324 -4.928 -2.346 1.00 0.00 C ATOM 1098 CG1 ILE A 81 2.517 -5.162 -3.850 1.00 0.00 C ATOM 1099 CG2 ILE A 81 2.958 -3.617 -1.895 1.00 0.00 C ATOM 1100 CD1 ILE A 81 3.929 -4.895 -4.385 1.00 0.00 C ATOM 0 H ILE A 81 4.026 -6.926 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 81 2.921 -5.635 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 81 1.242 -4.869 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.251 -6.195 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.816 -4.527 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.644 -2.813 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.640 -3.390 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.044 -3.709 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.955 -5.091 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.198 -3.855 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.639 -5.549 -3.879 1.00 0.00 H new ATOM 1111 N THR A 82 1.041 -7.251 -0.185 1.00 0.00 N ATOM 1112 CA THR A 82 -0.255 -7.878 -0.028 1.00 0.00 C ATOM 1113 C THR A 82 -1.263 -6.834 -0.514 1.00 0.00 C ATOM 1114 O THR A 82 -1.711 -5.996 0.270 1.00 0.00 O ATOM 1115 CB THR A 82 -0.463 -8.287 1.445 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.254 -9.485 1.673 1.00 0.00 O ATOM 1117 CG2 THR A 82 -1.936 -8.513 1.810 1.00 0.00 C ATOM 0 H THR A 82 1.437 -6.905 0.689 1.00 0.00 H new ATOM 0 HA THR A 82 -0.365 -8.799 -0.601 1.00 0.00 H new ATOM 0 HB THR A 82 -0.105 -7.468 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.135 -9.959 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.011 -8.798 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.498 -7.594 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.347 -9.308 1.188 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.602 -6.842 -1.808 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.684 -5.987 -2.276 1.00 0.00 C ATOM 1127 C ASP A 83 -4.012 -6.597 -1.833 1.00 0.00 C ATOM 1128 O ASP A 83 -4.294 -7.756 -2.147 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.629 -5.713 -3.776 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.683 -4.666 -4.101 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.405 -3.484 -3.799 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -4.758 -5.078 -4.585 1.00 0.00 O ATOM 0 H ASP A 83 -1.156 -7.413 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.573 -5.002 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.639 -5.359 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.815 -6.628 -4.338 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.764 -5.851 -1.023 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.938 -6.314 -0.305 1.00 0.00 C ATOM 1138 C CYS A 84 -7.195 -5.693 -0.913 1.00 0.00 C ATOM 1139 O CYS A 84 -7.443 -4.499 -0.741 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.815 -5.940 1.178 1.00 0.00 C ATOM 1141 SG CYS A 84 -7.050 -6.796 2.177 1.00 0.00 S ATOM 0 H CYS A 84 -4.558 -4.868 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.012 -7.398 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.817 -6.191 1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.934 -4.863 1.294 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.984 -6.501 -1.626 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.202 -6.064 -2.304 1.00 0.00 C ATOM 1147 C ARG A 85 -10.411 -6.655 -1.579 1.00 0.00 C ATOM 1148 O ARG A 85 -10.249 -7.618 -0.836 1.00 0.00 O ATOM 1149 CB ARG A 85 -9.190 -6.592 -3.752 1.00 0.00 C ATOM 1150 CG ARG A 85 -10.102 -5.767 -4.670 1.00 0.00 C ATOM 1151 CD ARG A 85 -10.258 -6.366 -6.074 1.00 0.00 C ATOM 1152 NE ARG A 85 -11.302 -5.634 -6.816 1.00 0.00 N ATOM 1153 CZ ARG A 85 -12.609 -5.682 -6.503 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -13.089 -6.696 -5.784 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -13.428 -4.690 -6.859 1.00 0.00 N ATOM 0 H ARG A 85 -7.789 -7.495 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.256 -4.975 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.171 -6.570 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.512 -7.633 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.086 -5.680 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.700 -4.757 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.311 -6.310 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.522 -7.421 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.017 -5.060 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.465 -7.439 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.081 -6.730 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.064 -3.887 -7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.418 -4.735 -6.618 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.620 -6.167 -1.863 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.827 -6.895 -1.507 1.00 0.00 C ATOM 1168 C GLU A 86 -13.032 -8.005 -2.547 1.00 0.00 C ATOM 1169 O GLU A 86 -12.438 -7.987 -3.630 1.00 0.00 O ATOM 1170 CB GLU A 86 -14.070 -5.978 -1.405 1.00 0.00 C ATOM 1171 CG GLU A 86 -14.272 -4.848 -2.442 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.795 -5.267 -3.811 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.007 -6.475 -4.037 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -14.861 -4.391 -4.699 1.00 0.00 O ATOM 0 H GLU A 86 -11.783 -5.278 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.704 -7.324 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.952 -6.618 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.055 -5.516 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.964 -4.118 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.318 -4.339 -2.582 1.00 0.00 H new ATOM 1179 N THR A 87 -13.818 -9.017 -2.186 1.00 0.00 N ATOM 1180 CA THR A 87 -14.386 -9.959 -3.137 1.00 0.00 C ATOM 1181 C THR A 87 -15.737 -9.405 -3.596 1.00 0.00 C ATOM 1182 O THR A 87 -16.420 -8.734 -2.817 1.00 0.00 O ATOM 1183 CB THR A 87 -14.601 -11.326 -2.477 1.00 0.00 C ATOM 1184 OG1 THR A 87 -15.376 -11.174 -1.307 1.00 0.00 O ATOM 1185 CG2 THR A 87 -13.280 -11.991 -2.095 1.00 0.00 C ATOM 0 H THR A 87 -14.078 -9.204 -1.218 1.00 0.00 H new ATOM 0 HA THR A 87 -13.707 -10.086 -3.980 1.00 0.00 H new ATOM 0 HB THR A 87 -15.112 -11.958 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.513 -12.050 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.480 -12.957 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.674 -12.137 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.742 -11.355 -1.392 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.167 -9.766 -4.814 1.00 0.00 N ATOM 1194 CA GLY A 88 -17.505 -9.491 -5.338 1.00 0.00 C ATOM 1195 C GLY A 88 -18.564 -10.341 -4.630 1.00 0.00 C ATOM 1196 O GLY A 88 -19.283 -11.110 -5.263 1.00 0.00 O ATOM 0 H GLY A 88 -15.576 -10.270 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.738 -8.434 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.528 -9.695 -6.409 1.00 0.00 H new ATOM 1199 N SER A 89 -18.629 -10.164 -3.313 1.00 0.00 N ATOM 1200 CA SER A 89 -19.336 -10.940 -2.305 1.00 0.00 C ATOM 1201 C SER A 89 -19.341 -10.146 -0.991 1.00 0.00 C ATOM 1202 O SER A 89 -20.286 -10.250 -0.215 1.00 0.00 O ATOM 1203 CB SER A 89 -18.643 -12.290 -2.053 1.00 0.00 C ATOM 1204 OG SER A 89 -18.310 -12.964 -3.251 1.00 0.00 O ATOM 0 H SER A 89 -18.131 -9.386 -2.881 1.00 0.00 H new ATOM 0 HA SER A 89 -20.349 -11.128 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.737 -12.126 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.297 -12.924 -1.454 1.00 0.00 H new ATOM 0 HG SER A 89 -17.871 -13.814 -3.037 1.00 0.00 H new ATOM 1209 N SER A 90 -18.268 -9.380 -0.738 1.00 0.00 N ATOM 1210 CA SER A 90 -18.114 -8.471 0.388 1.00 0.00 C ATOM 1211 C SER A 90 -19.393 -7.667 0.645 1.00 0.00 C ATOM 1212 O SER A 90 -19.874 -6.960 -0.239 1.00 0.00 O ATOM 1213 CB SER A 90 -16.925 -7.551 0.110 1.00 0.00 C ATOM 1214 OG SER A 90 -16.516 -6.922 1.307 1.00 0.00 O ATOM 0 H SER A 90 -17.450 -9.385 -1.348 1.00 0.00 H new ATOM 0 HA SER A 90 -17.927 -9.048 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.099 -8.126 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.200 -6.800 -0.631 1.00 0.00 H new ATOM 0 HG SER A 90 -15.753 -6.335 1.124 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.950 -7.790 1.851 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.217 -7.202 2.254 1.00 0.00 C ATOM 1221 C LYS A 91 -21.079 -6.666 3.678 1.00 0.00 C ATOM 1222 O LYS A 91 -21.706 -7.187 4.597 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.314 -8.281 2.152 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.867 -8.449 0.728 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.715 -7.269 0.218 1.00 0.00 C ATOM 1226 CE LYS A 91 -24.840 -6.828 1.169 1.00 0.00 C ATOM 1227 NZ LYS A 91 -25.700 -7.955 1.587 1.00 0.00 N ATOM 0 H LYS A 91 -19.509 -8.324 2.599 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.493 -6.371 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.910 -9.234 2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -23.132 -8.023 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.031 -8.599 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -23.473 -9.354 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.058 -6.419 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.155 -7.543 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.403 -6.361 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.451 -6.071 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.501 -7.593 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.059 -8.449 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.147 -8.617 2.167 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.282 -5.604 3.859 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.094 -4.939 5.150 1.00 0.00 C ATOM 1239 C TYR A 92 -21.457 -4.773 5.844 1.00 0.00 C ATOM 1240 O TYR A 92 -22.391 -4.280 5.211 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.411 -3.580 4.923 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.561 -2.593 6.067 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -18.695 -2.639 7.176 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -20.642 -1.692 6.065 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -18.937 -1.819 8.294 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -20.887 -0.880 7.183 1.00 0.00 C ATOM 1247 CZ TYR A 92 -20.053 -0.966 8.309 1.00 0.00 C ATOM 1248 OH TYR A 92 -20.258 -0.131 9.363 1.00 0.00 O ATOM 0 H TYR A 92 -19.745 -5.180 3.103 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.456 -5.541 5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.349 -3.748 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -19.820 -3.131 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -17.844 -3.304 7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -21.285 -1.625 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -18.265 -1.846 9.139 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -21.717 -0.189 7.177 1.00 0.00 H new ATOM 0 HH TYR A 92 -20.497 0.760 9.033 1.00 0.00 H new ATOM 1257 N PRO A 93 -21.608 -5.204 7.109 1.00 0.00 N ATOM 1258 CA PRO A 93 -20.561 -5.636 8.031 1.00 0.00 C ATOM 1259 C PRO A 93 -19.937 -7.003 7.721 1.00 0.00 C ATOM 1260 O PRO A 93 -18.819 -7.268 8.158 1.00 0.00 O ATOM 1261 CB PRO A 93 -21.222 -5.647 9.407 1.00 0.00 C ATOM 1262 CG PRO A 93 -22.688 -5.925 9.100 1.00 0.00 C ATOM 1263 CD PRO A 93 -22.895 -5.180 7.783 1.00 0.00 C ATOM 0 HA PRO A 93 -19.716 -4.951 7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.795 -6.416 10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.094 -4.694 9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -22.886 -6.992 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -23.345 -5.552 9.885 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -23.663 -5.662 7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -23.225 -4.156 7.960 1.00 0.00 H new ATOM 1268 N ASN A 94 -20.598 -7.857 6.936 1.00 0.00 N ATOM 1269 CA ASN A 94 -20.020 -9.107 6.438 1.00 0.00 C ATOM 1270 C ASN A 94 -19.039 -8.779 5.304 1.00 0.00 C ATOM 1271 O ASN A 94 -19.226 -9.184 4.157 1.00 0.00 O ATOM 1272 CB ASN A 94 -21.144 -10.058 5.975 1.00 0.00 C ATOM 1273 CG ASN A 94 -21.779 -10.848 7.117 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -22.066 -12.030 6.972 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -22.017 -10.213 8.262 1.00 0.00 N ATOM 0 H ASN A 94 -21.557 -7.699 6.626 1.00 0.00 H new ATOM 0 HA ASN A 94 -19.472 -9.618 7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.917 -9.477 5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -20.740 -10.755 5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.447 -10.711 9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -21.770 -9.228 8.360 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.998 -8.005 5.612 1.00 0.00 N ATOM 1282 CA CYS A 95 -16.989 -7.628 4.633 1.00 0.00 C ATOM 1283 C CYS A 95 -16.084 -8.823 4.341 1.00 0.00 C ATOM 1284 O CYS A 95 -15.737 -9.558 5.263 1.00 0.00 O ATOM 1285 CB CYS A 95 -16.171 -6.442 5.127 1.00 0.00 C ATOM 1286 SG CYS A 95 -15.088 -5.803 3.833 1.00 0.00 S ATOM 0 H CYS A 95 -17.834 -7.625 6.544 1.00 0.00 H new ATOM 0 HA CYS A 95 -17.488 -7.328 3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -16.841 -5.652 5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -15.574 -6.743 5.987 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.717 -9.035 3.073 1.00 0.00 N ATOM 1291 CA ALA A 96 -14.924 -10.180 2.645 1.00 0.00 C ATOM 1292 C ALA A 96 -13.741 -9.696 1.807 1.00 0.00 C ATOM 1293 O ALA A 96 -13.923 -9.244 0.675 1.00 0.00 O ATOM 1294 CB ALA A 96 -15.811 -11.160 1.872 1.00 0.00 C ATOM 0 H ALA A 96 -15.968 -8.406 2.310 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.525 -10.708 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.216 -12.016 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.622 -11.502 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.228 -10.661 0.997 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.537 -9.776 2.382 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.306 -9.335 1.745 1.00 0.00 C ATOM 1302 C TYR A 97 -10.631 -10.458 0.952 1.00 0.00 C ATOM 1303 O TYR A 97 -10.953 -11.634 1.114 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.348 -8.780 2.800 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.665 -7.376 3.259 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.369 -6.299 2.407 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.125 -7.129 4.565 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.501 -4.980 2.864 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.276 -5.807 5.016 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.981 -4.730 4.160 1.00 0.00 C ATOM 1311 OH TYR A 97 -11.122 -3.447 4.614 1.00 0.00 O ATOM 0 H TYR A 97 -12.395 -10.156 3.318 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.563 -8.550 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.358 -9.442 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.335 -8.797 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.039 -6.488 1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.362 -7.954 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.233 -4.156 2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.619 -5.617 6.022 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.923 -3.385 5.176 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.682 -10.067 0.099 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.992 -10.897 -0.870 1.00 0.00 C ATOM 1322 C LYS A 98 -7.540 -10.410 -0.957 1.00 0.00 C ATOM 1323 O LYS A 98 -7.279 -9.326 -1.480 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.739 -10.770 -2.212 1.00 0.00 C ATOM 1325 CG LYS A 98 -9.630 -11.991 -3.136 1.00 0.00 C ATOM 1326 CD LYS A 98 -8.212 -12.321 -3.620 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.591 -11.169 -4.425 1.00 0.00 C ATOM 1328 NZ LYS A 98 -6.218 -11.485 -4.852 1.00 0.00 N ATOM 0 H LYS A 98 -9.360 -9.100 0.071 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.977 -11.950 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.793 -10.582 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.357 -9.898 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.029 -12.860 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.264 -11.825 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.579 -12.544 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.240 -13.219 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.207 -10.963 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.585 -10.263 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.699 -10.602 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.736 -12.022 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.247 -12.055 -5.722 1.00 0.00 H new ATOM 1338 N THR A 99 -6.602 -11.211 -0.447 1.00 0.00 N ATOM 1339 CA THR A 99 -5.170 -10.928 -0.476 1.00 0.00 C ATOM 1340 C THR A 99 -4.597 -11.186 -1.871 1.00 0.00 C ATOM 1341 O THR A 99 -5.004 -12.134 -2.547 1.00 0.00 O ATOM 1342 CB THR A 99 -4.457 -11.836 0.541 1.00 0.00 C ATOM 1343 OG1 THR A 99 -5.038 -11.693 1.820 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.949 -11.578 0.665 1.00 0.00 C ATOM 0 H THR A 99 -6.825 -12.096 0.008 1.00 0.00 H new ATOM 0 HA THR A 99 -5.013 -9.880 -0.222 1.00 0.00 H new ATOM 0 HB THR A 99 -4.584 -12.848 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.948 -12.057 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.523 -12.259 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.471 -11.743 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.781 -10.549 0.982 1.00 0.00 H new ATOM 1352 N THR A 100 -3.633 -10.369 -2.298 1.00 0.00 N ATOM 1353 CA THR A 100 -2.819 -10.589 -3.483 1.00 0.00 C ATOM 1354 C THR A 100 -1.354 -10.292 -3.130 1.00 0.00 C ATOM 1355 O THR A 100 -0.909 -9.160 -3.289 1.00 0.00 O ATOM 1356 CB THR A 100 -3.337 -9.705 -4.640 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.706 -9.388 -4.459 1.00 0.00 O ATOM 1358 CG2 THR A 100 -3.150 -10.405 -5.989 1.00 0.00 C ATOM 0 H THR A 100 -3.393 -9.507 -1.808 1.00 0.00 H new ATOM 0 HA THR A 100 -2.886 -11.624 -3.817 1.00 0.00 H new ATOM 0 HB THR A 100 -2.755 -8.784 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.794 -8.707 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.522 -9.763 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.091 -10.607 -6.150 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.703 -11.344 -5.991 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.605 -11.284 -2.627 1.00 0.00 N ATOM 1367 CA GLN A 101 0.842 -11.148 -2.456 1.00 0.00 C ATOM 1368 C GLN A 101 1.497 -11.077 -3.841 1.00 0.00 C ATOM 1369 O GLN A 101 1.458 -12.073 -4.559 1.00 0.00 O ATOM 1370 CB GLN A 101 1.430 -12.341 -1.673 1.00 0.00 C ATOM 1371 CG GLN A 101 1.281 -12.234 -0.148 1.00 0.00 C ATOM 1372 CD GLN A 101 2.144 -13.276 0.577 1.00 0.00 C ATOM 1373 OE1 GLN A 101 3.358 -13.118 0.698 1.00 0.00 O ATOM 1374 NE2 GLN A 101 1.552 -14.361 1.066 1.00 0.00 N ATOM 0 H GLN A 101 -0.980 -12.186 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 101 1.042 -10.240 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.944 -13.256 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.488 -12.434 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.567 -11.234 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.235 -12.372 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.545 -14.484 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.105 -15.071 1.546 1.00 0.00 H new ATOM 1381 N VAL A 102 2.108 -9.943 -4.210 1.00 0.00 N ATOM 1382 CA VAL A 102 2.956 -9.845 -5.401 1.00 0.00 C ATOM 1383 C VAL A 102 4.222 -9.045 -5.077 1.00 0.00 C ATOM 1384 O VAL A 102 4.148 -8.064 -4.339 1.00 0.00 O ATOM 1385 CB VAL A 102 2.205 -9.235 -6.601 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.027 -10.110 -7.037 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.708 -7.808 -6.341 1.00 0.00 C ATOM 0 H VAL A 102 2.027 -9.069 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 102 3.241 -10.856 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 102 2.940 -9.191 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.523 -9.646 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.393 -11.095 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.325 -10.213 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.188 -7.437 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.025 -7.810 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.557 -7.161 -6.122 1.00 0.00 H new ATOM 1397 N GLU A 103 5.370 -9.463 -5.618 1.00 0.00 N ATOM 1398 CA GLU A 103 6.678 -8.847 -5.426 1.00 0.00 C ATOM 1399 C GLU A 103 7.040 -7.970 -6.624 1.00 0.00 C ATOM 1400 O GLU A 103 7.488 -8.459 -7.659 1.00 0.00 O ATOM 1401 CB GLU A 103 7.759 -9.894 -5.100 1.00 0.00 C ATOM 1402 CG GLU A 103 7.723 -11.173 -5.953 1.00 0.00 C ATOM 1403 CD GLU A 103 6.616 -12.120 -5.523 1.00 0.00 C ATOM 1404 OE1 GLU A 103 6.824 -12.817 -4.509 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.547 -12.062 -6.169 1.00 0.00 O ATOM 0 H GLU A 103 5.410 -10.278 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 103 6.626 -8.193 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.738 -9.428 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.663 -10.175 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.583 -10.905 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.684 -11.683 -5.880 1.00 0.00 H new ATOM 1410 N LYS A 104 6.837 -6.660 -6.483 1.00 0.00 N ATOM 1411 CA LYS A 104 7.080 -5.652 -7.505 1.00 0.00 C ATOM 1412 C LYS A 104 7.826 -4.506 -6.831 1.00 0.00 C ATOM 1413 O LYS A 104 7.966 -4.511 -5.606 1.00 0.00 O ATOM 1414 CB LYS A 104 5.744 -5.171 -8.082 1.00 0.00 C ATOM 1415 CG LYS A 104 5.348 -5.859 -9.386 1.00 0.00 C ATOM 1416 CD LYS A 104 4.985 -7.330 -9.164 1.00 0.00 C ATOM 1417 CE LYS A 104 3.833 -7.740 -10.076 1.00 0.00 C ATOM 1418 NZ LYS A 104 4.208 -7.691 -11.503 1.00 0.00 N ATOM 0 H LYS A 104 6.483 -6.259 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 104 7.670 -6.053 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.960 -5.337 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.799 -4.096 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.499 -5.338 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.171 -5.791 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.854 -7.959 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.706 -7.489 -8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.511 -8.750 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.982 -7.081 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.418 -8.042 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.425 -6.710 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.045 -8.287 -11.663 1.00 0.00 H new ATOM 1428 N HIS A 105 8.307 -3.526 -7.599 1.00 0.00 N ATOM 1429 CA HIS A 105 8.794 -2.309 -6.965 1.00 0.00 C ATOM 1430 C HIS A 105 7.577 -1.614 -6.375 1.00 0.00 C ATOM 1431 O HIS A 105 6.546 -1.535 -7.040 1.00 0.00 O ATOM 1432 CB HIS A 105 9.479 -1.353 -7.943 1.00 0.00 C ATOM 1433 CG HIS A 105 10.437 -2.006 -8.896 1.00 0.00 C ATOM 1434 ND1 HIS A 105 10.101 -2.496 -10.138 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.775 -2.191 -8.709 1.00 0.00 C ATOM 1436 CE1 HIS A 105 11.220 -2.970 -10.709 1.00 0.00 C ATOM 1437 NE2 HIS A 105 12.250 -2.788 -9.858 1.00 0.00 N ATOM 0 H HIS A 105 8.368 -3.549 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 105 9.541 -2.577 -6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.713 -0.834 -8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 105 10.016 -0.595 -7.372 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.349 -1.923 -7.834 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.284 -3.422 -11.688 1.00 0.00 H new ATOM 0 HE2 HIS A 105 13.220 -3.049 -10.035 1.00 0.00 H new ATOM 1445 N ILE A 106 7.683 -1.100 -5.160 1.00 0.00 N ATOM 1446 CA ILE A 106 6.643 -0.277 -4.579 1.00 0.00 C ATOM 1447 C ILE A 106 6.885 1.158 -5.040 1.00 0.00 C ATOM 1448 O ILE A 106 8.020 1.637 -5.047 1.00 0.00 O ATOM 1449 CB ILE A 106 6.610 -0.444 -3.051 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.974 -0.218 -2.382 1.00 0.00 C ATOM 1451 CG2 ILE A 106 6.037 -1.833 -2.748 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.949 -0.429 -0.870 1.00 0.00 C ATOM 0 H ILE A 106 8.491 -1.243 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 106 5.652 -0.582 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 106 5.973 0.330 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.704 -0.896 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.311 0.797 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.000 -1.984 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.031 -1.909 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.672 -2.595 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.944 -0.253 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.243 0.267 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.642 -1.452 -0.650 1.00 0.00 H new ATOM 1463 N ILE A 107 5.816 1.822 -5.468 1.00 0.00 N ATOM 1464 CA ILE A 107 5.799 3.211 -5.872 1.00 0.00 C ATOM 1465 C ILE A 107 5.145 3.950 -4.700 1.00 0.00 C ATOM 1466 O ILE A 107 3.974 3.696 -4.403 1.00 0.00 O ATOM 1467 CB ILE A 107 5.020 3.396 -7.196 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.287 2.336 -8.285 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.257 4.805 -7.746 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.609 2.486 -9.024 1.00 0.00 C ATOM 0 H ILE A 107 4.900 1.380 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 107 6.796 3.600 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 107 3.972 3.253 -6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.257 1.349 -7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.476 2.373 -9.012 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.706 4.929 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.913 5.542 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.321 4.949 -7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.702 1.694 -9.767 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.640 3.456 -9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.433 2.415 -8.314 1.00 0.00 H new ATOM 1481 N VAL A 108 5.893 4.800 -3.983 1.00 0.00 N ATOM 1482 CA VAL A 108 5.377 5.481 -2.794 1.00 0.00 C ATOM 1483 C VAL A 108 5.515 6.995 -2.934 1.00 0.00 C ATOM 1484 O VAL A 108 6.433 7.483 -3.590 1.00 0.00 O ATOM 1485 CB VAL A 108 5.953 4.921 -1.473 1.00 0.00 C ATOM 1486 CG1 VAL A 108 6.216 3.410 -1.552 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.204 5.650 -0.968 1.00 0.00 C ATOM 0 H VAL A 108 6.860 5.031 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 108 4.310 5.266 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 108 5.170 5.107 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.620 3.061 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.282 2.889 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.933 3.207 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.541 5.193 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.994 5.577 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.967 6.699 -0.792 1.00 0.00 H new ATOM 1497 N ALA A 109 4.577 7.719 -2.323 1.00 0.00 N ATOM 1498 CA ALA A 109 4.451 9.164 -2.350 1.00 0.00 C ATOM 1499 C ALA A 109 5.386 9.777 -1.314 1.00 0.00 C ATOM 1500 O ALA A 109 5.341 9.390 -0.145 1.00 0.00 O ATOM 1501 CB ALA A 109 3.011 9.535 -2.020 1.00 0.00 C ATOM 0 H ALA A 109 3.845 7.280 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 109 4.716 9.542 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.902 10.619 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.343 9.091 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.757 9.160 -1.029 1.00 0.00 H new ATOM 1507 N CYS A 110 6.216 10.729 -1.734 1.00 0.00 N ATOM 1508 CA CYS A 110 7.306 11.282 -0.948 1.00 0.00 C ATOM 1509 C CYS A 110 7.057 12.743 -0.595 1.00 0.00 C ATOM 1510 O CYS A 110 6.578 13.508 -1.432 1.00 0.00 O ATOM 1511 CB CYS A 110 8.553 11.199 -1.808 1.00 0.00 C ATOM 1512 SG CYS A 110 10.062 11.749 -1.020 1.00 0.00 S ATOM 0 H CYS A 110 6.142 11.147 -2.661 1.00 0.00 H new ATOM 0 HA CYS A 110 7.403 10.725 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.685 10.166 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.394 11.794 -2.708 1.00 0.00 H new ATOM 1516 N GLY A 111 7.393 13.155 0.625 1.00 0.00 N ATOM 1517 CA GLY A 111 7.171 14.521 1.064 1.00 0.00 C ATOM 1518 C GLY A 111 7.714 14.726 2.473 1.00 0.00 C ATOM 1519 O GLY A 111 8.671 14.065 2.863 1.00 0.00 O ATOM 0 H GLY A 111 7.823 12.554 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.657 15.213 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.105 14.747 1.043 1.00 0.00 H new ATOM 1522 N GLY A 112 7.094 15.644 3.222 1.00 0.00 N ATOM 1523 CA GLY A 112 7.363 15.854 4.639 1.00 0.00 C ATOM 1524 C GLY A 112 8.807 16.271 4.923 1.00 0.00 C ATOM 1525 O GLY A 112 9.397 15.760 5.869 1.00 0.00 O ATOM 0 H GLY A 112 6.380 16.270 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.689 16.621 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.143 14.936 5.184 1.00 0.00 H new ATOM 1528 N LYS A 113 9.321 17.217 4.118 1.00 0.00 N ATOM 1529 CA LYS A 113 10.712 17.674 4.063 1.00 0.00 C ATOM 1530 C LYS A 113 11.519 17.416 5.353 1.00 0.00 C ATOM 1531 O LYS A 113 11.156 17.960 6.398 1.00 0.00 O ATOM 1532 CB LYS A 113 10.768 19.147 3.624 1.00 0.00 C ATOM 1533 CG LYS A 113 10.120 20.134 4.607 1.00 0.00 C ATOM 1534 CD LYS A 113 10.075 21.538 3.984 1.00 0.00 C ATOM 1535 CE LYS A 113 9.729 22.627 5.011 1.00 0.00 C ATOM 1536 NZ LYS A 113 8.415 22.413 5.652 1.00 0.00 N ATOM 0 H LYS A 113 8.734 17.712 3.447 1.00 0.00 H new ATOM 0 HA LYS A 113 11.211 17.062 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.811 19.430 3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.276 19.243 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.111 19.804 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.686 20.158 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.041 21.763 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.337 21.552 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.502 22.655 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.734 23.599 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.226 23.185 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.672 22.396 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.421 21.506 6.161 1.00 0.00 H new ATOM 1546 N PRO A 114 12.619 16.642 5.316 1.00 0.00 N ATOM 1547 CA PRO A 114 13.258 16.063 4.137 1.00 0.00 C ATOM 1548 C PRO A 114 12.411 14.945 3.523 1.00 0.00 C ATOM 1549 O PRO A 114 11.301 14.689 3.968 1.00 0.00 O ATOM 1550 CB PRO A 114 14.612 15.543 4.637 1.00 0.00 C ATOM 1551 CG PRO A 114 14.327 15.187 6.094 1.00 0.00 C ATOM 1552 CD PRO A 114 13.354 16.285 6.518 1.00 0.00 C ATOM 0 HA PRO A 114 13.376 16.796 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.946 14.676 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.391 16.300 4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.886 14.195 6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.234 15.193 6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 114 12.680 15.932 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.887 17.146 6.922 1.00 0.00 H new ATOM 1557 N SER A 115 12.911 14.306 2.467 1.00 0.00 N ATOM 1558 CA SER A 115 12.213 13.263 1.742 1.00 0.00 C ATOM 1559 C SER A 115 11.893 12.075 2.661 1.00 0.00 C ATOM 1560 O SER A 115 12.721 11.181 2.824 1.00 0.00 O ATOM 1561 CB SER A 115 13.105 12.857 0.556 1.00 0.00 C ATOM 1562 OG SER A 115 14.478 13.045 0.874 1.00 0.00 O ATOM 0 H SER A 115 13.836 14.509 2.088 1.00 0.00 H new ATOM 0 HA SER A 115 11.252 13.621 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.925 11.813 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.845 13.450 -0.321 1.00 0.00 H new ATOM 0 HG SER A 115 15.020 12.395 0.380 1.00 0.00 H new ATOM 1567 N VAL A 116 10.671 12.028 3.205 1.00 0.00 N ATOM 1568 CA VAL A 116 10.130 10.869 3.910 1.00 0.00 C ATOM 1569 C VAL A 116 8.813 10.454 3.239 1.00 0.00 C ATOM 1570 O VAL A 116 8.104 11.306 2.698 1.00 0.00 O ATOM 1571 CB VAL A 116 9.965 11.175 5.407 1.00 0.00 C ATOM 1572 CG1 VAL A 116 11.298 11.674 5.982 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.864 12.204 5.695 1.00 0.00 C ATOM 0 H VAL A 116 10.021 12.813 3.164 1.00 0.00 H new ATOM 0 HA VAL A 116 10.822 10.029 3.847 1.00 0.00 H new ATOM 0 HB VAL A 116 9.664 10.244 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.178 11.890 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.061 10.906 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.603 12.581 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.798 12.376 6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.101 13.141 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.909 11.827 5.329 1.00 0.00 H new ATOM 1583 N PRO A 117 8.490 9.154 3.194 1.00 0.00 N ATOM 1584 CA PRO A 117 7.309 8.693 2.487 1.00 0.00 C ATOM 1585 C PRO A 117 6.053 9.019 3.305 1.00 0.00 C ATOM 1586 O PRO A 117 6.055 8.870 4.525 1.00 0.00 O ATOM 1587 CB PRO A 117 7.551 7.201 2.252 1.00 0.00 C ATOM 1588 CG PRO A 117 8.448 6.785 3.418 1.00 0.00 C ATOM 1589 CD PRO A 117 9.289 8.036 3.674 1.00 0.00 C ATOM 0 HA PRO A 117 7.140 9.185 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 117 6.616 6.641 2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.035 7.021 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.865 6.505 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 117 9.070 5.927 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 117 9.516 8.144 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.242 7.981 3.148 1.00 0.00 H new ATOM 1594 N VAL A 118 4.998 9.506 2.639 1.00 0.00 N ATOM 1595 CA VAL A 118 3.770 9.986 3.280 1.00 0.00 C ATOM 1596 C VAL A 118 2.496 9.345 2.717 1.00 0.00 C ATOM 1597 O VAL A 118 1.433 9.466 3.326 1.00 0.00 O ATOM 1598 CB VAL A 118 3.687 11.524 3.228 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.840 12.173 4.003 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.676 12.059 1.790 1.00 0.00 C ATOM 0 H VAL A 118 4.975 9.578 1.622 1.00 0.00 H new ATOM 0 HA VAL A 118 3.829 9.672 4.322 1.00 0.00 H new ATOM 0 HB VAL A 118 2.741 11.792 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.751 13.258 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.799 11.860 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.790 11.863 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.617 13.147 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.590 11.753 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.813 11.657 1.259 1.00 0.00 H new ATOM 1610 N HIS A 119 2.559 8.684 1.558 1.00 0.00 N ATOM 1611 CA HIS A 119 1.450 7.895 1.036 1.00 0.00 C ATOM 1612 C HIS A 119 2.036 6.752 0.210 1.00 0.00 C ATOM 1613 O HIS A 119 3.214 6.782 -0.131 1.00 0.00 O ATOM 1614 CB HIS A 119 0.474 8.761 0.227 1.00 0.00 C ATOM 1615 CG HIS A 119 -0.945 8.254 0.197 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -1.528 7.517 -0.821 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -1.911 8.551 1.118 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -2.831 7.368 -0.518 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.085 7.989 0.652 1.00 0.00 N ATOM 0 H HIS A 119 3.383 8.684 0.957 1.00 0.00 H new ATOM 0 HA HIS A 119 0.862 7.483 1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.476 9.769 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.840 8.836 -0.797 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.056 7.154 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.782 9.114 2.031 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.557 6.836 -1.116 1.00 0.00 H new ATOM 1627 N PHE A 120 1.219 5.753 -0.117 1.00 0.00 N ATOM 1628 CA PHE A 120 1.554 4.726 -1.094 1.00 0.00 C ATOM 1629 C PHE A 120 0.875 5.131 -2.403 1.00 0.00 C ATOM 1630 O PHE A 120 -0.212 5.713 -2.344 1.00 0.00 O ATOM 1631 CB PHE A 120 1.077 3.367 -0.575 1.00 0.00 C ATOM 1632 CG PHE A 120 1.029 2.284 -1.624 1.00 0.00 C ATOM 1633 CD1 PHE A 120 2.200 1.583 -1.964 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.161 2.057 -2.341 1.00 0.00 C ATOM 1635 CE1 PHE A 120 2.169 0.629 -2.992 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.186 1.113 -3.379 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.978 0.396 -3.700 1.00 0.00 C ATOM 0 H PHE A 120 0.294 5.635 0.296 1.00 0.00 H new ATOM 0 HA PHE A 120 2.627 4.636 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.737 3.047 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.082 3.484 -0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.121 1.779 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.055 2.610 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.061 0.073 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.098 0.938 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.958 -0.337 -4.493 1.00 0.00 H new ATOM 1646 N ASP A 121 1.523 4.892 -3.548 1.00 0.00 N ATOM 1647 CA ASP A 121 1.024 5.309 -4.850 1.00 0.00 C ATOM 1648 C ASP A 121 0.531 4.100 -5.652 1.00 0.00 C ATOM 1649 O ASP A 121 -0.653 4.013 -5.976 1.00 0.00 O ATOM 1650 CB ASP A 121 2.130 6.078 -5.579 1.00 0.00 C ATOM 1651 CG ASP A 121 1.580 6.769 -6.812 1.00 0.00 C ATOM 1652 OD1 ASP A 121 1.523 6.092 -7.859 1.00 0.00 O ATOM 1653 OD2 ASP A 121 1.233 7.963 -6.673 1.00 0.00 O ATOM 0 H ASP A 121 2.415 4.399 -3.591 1.00 0.00 H new ATOM 0 HA ASP A 121 0.166 5.971 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.569 6.816 -4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.928 5.393 -5.866 1.00 0.00 H new ATOM 1657 N ALA A 122 1.427 3.150 -5.942 1.00 0.00 N ATOM 1658 CA ALA A 122 1.166 1.996 -6.800 1.00 0.00 C ATOM 1659 C ALA A 122 2.313 0.996 -6.626 1.00 0.00 C ATOM 1660 O ALA A 122 3.179 1.225 -5.788 1.00 0.00 O ATOM 1661 CB ALA A 122 1.049 2.459 -8.258 1.00 0.00 C ATOM 0 H ALA A 122 2.379 3.166 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 122 0.228 1.513 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.854 1.599 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.229 3.172 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.980 2.936 -8.564 1.00 0.00 H new ATOM 1667 N SER A 123 2.360 -0.089 -7.409 1.00 0.00 N ATOM 1668 CA SER A 123 3.510 -0.990 -7.425 1.00 0.00 C ATOM 1669 C SER A 123 3.754 -1.538 -8.830 1.00 0.00 C ATOM 1670 O SER A 123 2.808 -1.998 -9.465 1.00 0.00 O ATOM 1671 CB SER A 123 3.325 -2.159 -6.453 1.00 0.00 C ATOM 1672 OG SER A 123 2.964 -1.711 -5.163 1.00 0.00 O ATOM 0 H SER A 123 1.608 -0.362 -8.042 1.00 0.00 H new ATOM 0 HA SER A 123 4.374 -0.406 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.556 -2.831 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.249 -2.733 -6.394 1.00 0.00 H new ATOM 0 HG SER A 123 2.410 -2.390 -4.724 1.00 0.00 H new ATOM 1677 N VAL A 124 5.010 -1.522 -9.287 1.00 0.00 N ATOM 1678 CA VAL A 124 5.485 -2.224 -10.471 1.00 0.00 C ATOM 1679 C VAL A 124 7.017 -2.217 -10.460 1.00 0.00 C ATOM 1680 CB VAL A 124 4.799 -1.752 -11.775 1.00 0.00 C ATOM 1681 CG1 VAL A 124 5.749 -1.185 -12.838 1.00 0.00 C ATOM 1682 CG2 VAL A 124 4.025 -2.942 -12.371 1.00 0.00 C ATOM 0 H VAL A 124 5.749 -0.997 -8.819 1.00 0.00 H new ATOM 0 HA VAL A 124 5.181 -3.270 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 124 4.145 -0.925 -11.498 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.175 -0.882 -13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.275 -0.321 -12.432 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.472 -1.949 -13.124 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.533 -2.631 -13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.718 -3.756 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.276 -3.283 -11.657 1.00 0.00 H new TER 1692 VAL A 124