USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 946 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 20 SER OG : rot -130:sc= 0.417 USER MOD Set 1.2: A 94 GLN : amide:sc= 0.0301 X(o=0.45,f=0.66) USER MOD Set 2.1: A 37 THR OG1 : rot -110:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot -65:sc= 0.838 USER MOD Set 3.1: A 12 MET CE :methyl -137:sc=-0.00153 (180deg=-0.394) USER MOD Set 3.2: A 68 THR OG1 : rot -70:sc= 1.49 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 142:sc= 1.3 (180deg=1.03) USER MOD Single : A 13 TYR OH : rot -155:sc= 0.292 USER MOD Single : A 16 THR OG1 : rot -90:sc= -0.746 USER MOD Single : A 19 GLN : amide:sc= 1.59 K(o=1.6,f=-5.3!) USER MOD Single : A 25 SER OG : rot 69:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.62 (180deg=1.49) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.6) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -160:sc= 0.0197 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -150:sc=-0.00308 USER MOD Single : A 55 SER OG : rot 180:sc= 0.153 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00861 USER MOD Single : A 67 SER OG : rot 180:sc= 0.306 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 1.01 K(o=1,f=-2.3!) USER MOD Single : A 93 MET CE :methyl 178:sc= -0.748 (180deg=-0.76) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.79 K(o=-0.79,f=-0.25) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.018 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 127 TYR OH : rot 28:sc= 1.3 USER MOD Single : A 128 TYR OH : rot 136:sc= 1.26 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.915 -3.693 9.317 1.00 0.00 N ATOM 2 CA GLY A 1 30.882 -2.700 8.848 1.00 0.00 C ATOM 3 C GLY A 1 30.130 -1.628 8.089 1.00 0.00 C ATOM 4 O GLY A 1 29.692 -0.647 8.691 1.00 0.00 O ATOM 0 H1 GLY A 1 30.412 -4.440 9.842 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.221 -3.234 9.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.424 -4.111 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.418 -2.264 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.627 -3.169 8.205 1.00 0.00 H new ATOM 8 N ASP A 2 29.906 -1.873 6.800 1.00 0.00 N ATOM 9 CA ASP A 2 29.345 -0.969 5.802 1.00 0.00 C ATOM 10 C ASP A 2 30.357 0.144 5.601 1.00 0.00 C ATOM 11 O ASP A 2 30.284 1.231 6.183 1.00 0.00 O ATOM 12 CB ASP A 2 27.916 -0.529 6.146 1.00 0.00 C ATOM 13 CG ASP A 2 26.990 -0.500 4.940 1.00 0.00 C ATOM 14 OD1 ASP A 2 27.089 -1.383 4.054 1.00 0.00 O ATOM 15 OD2 ASP A 2 26.039 0.320 4.966 1.00 0.00 O ATOM 0 H ASP A 2 30.131 -2.782 6.395 1.00 0.00 H new ATOM 0 HA ASP A 2 29.197 -1.464 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 2 27.505 -1.206 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.947 0.463 6.596 1.00 0.00 H new ATOM 20 N ASP A 3 31.403 -0.251 4.891 1.00 0.00 N ATOM 21 CA ASP A 3 32.780 0.107 5.170 1.00 0.00 C ATOM 22 C ASP A 3 33.158 1.224 4.197 1.00 0.00 C ATOM 23 O ASP A 3 34.022 1.078 3.335 1.00 0.00 O ATOM 24 CB ASP A 3 33.628 -1.181 5.103 1.00 0.00 C ATOM 25 CG ASP A 3 33.079 -2.249 6.064 1.00 0.00 C ATOM 26 OD1 ASP A 3 33.382 -2.207 7.276 1.00 0.00 O ATOM 27 OD2 ASP A 3 32.219 -3.061 5.634 1.00 0.00 O ATOM 0 H ASP A 3 31.309 -0.853 4.073 1.00 0.00 H new ATOM 0 HA ASP A 3 32.955 0.508 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 3 33.629 -1.568 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 3 34.663 -0.954 5.358 1.00 0.00 H new ATOM 32 N ASP A 4 32.433 2.335 4.359 1.00 0.00 N ATOM 33 CA ASP A 4 32.006 3.271 3.316 1.00 0.00 C ATOM 34 C ASP A 4 31.171 2.555 2.242 1.00 0.00 C ATOM 35 O ASP A 4 30.785 1.394 2.396 1.00 0.00 O ATOM 36 CB ASP A 4 33.138 4.162 2.773 1.00 0.00 C ATOM 37 CG ASP A 4 32.549 5.402 2.088 1.00 0.00 C ATOM 38 OD1 ASP A 4 31.995 6.258 2.811 1.00 0.00 O ATOM 39 OD2 ASP A 4 32.496 5.424 0.837 1.00 0.00 O ATOM 0 H ASP A 4 32.108 2.623 5.282 1.00 0.00 H new ATOM 0 HA ASP A 4 31.340 3.996 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 4 33.796 4.465 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 4 33.746 3.600 2.064 1.00 0.00 H new ATOM 44 N GLU A 5 30.731 3.277 1.215 1.00 0.00 N ATOM 45 CA GLU A 5 29.727 2.850 0.255 1.00 0.00 C ATOM 46 C GLU A 5 29.711 3.844 -0.932 1.00 0.00 C ATOM 47 O GLU A 5 28.732 4.585 -1.120 1.00 0.00 O ATOM 48 CB GLU A 5 28.367 2.722 0.972 1.00 0.00 C ATOM 49 CG GLU A 5 27.998 3.928 1.864 1.00 0.00 C ATOM 50 CD GLU A 5 26.528 3.922 2.266 1.00 0.00 C ATOM 51 OE1 GLU A 5 25.660 3.637 1.408 1.00 0.00 O ATOM 52 OE2 GLU A 5 26.204 4.242 3.432 1.00 0.00 O ATOM 0 H GLU A 5 31.082 4.216 1.024 1.00 0.00 H new ATOM 0 HA GLU A 5 29.958 1.868 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 5 27.587 2.588 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.377 1.822 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.618 3.917 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.223 4.853 1.332 1.00 0.00 H new ATOM 59 N PRO A 6 30.793 3.908 -1.730 1.00 0.00 N ATOM 60 CA PRO A 6 30.952 4.904 -2.785 1.00 0.00 C ATOM 61 C PRO A 6 30.118 4.569 -4.034 1.00 0.00 C ATOM 62 O PRO A 6 29.504 3.503 -4.147 1.00 0.00 O ATOM 63 CB PRO A 6 32.459 4.907 -3.083 1.00 0.00 C ATOM 64 CG PRO A 6 32.866 3.459 -2.820 1.00 0.00 C ATOM 65 CD PRO A 6 31.997 3.089 -1.621 1.00 0.00 C ATOM 0 HA PRO A 6 30.591 5.885 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 6 32.666 5.204 -4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 6 32.997 5.601 -2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 6 32.667 2.818 -3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 6 33.929 3.370 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 6 31.749 2.028 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 6 32.519 3.286 -0.685 1.00 0.00 H new ATOM 73 N GLY A 7 30.147 5.470 -5.021 1.00 0.00 N ATOM 74 CA GLY A 7 29.546 5.282 -6.334 1.00 0.00 C ATOM 75 C GLY A 7 28.259 6.088 -6.428 1.00 0.00 C ATOM 76 O GLY A 7 28.198 7.081 -7.166 1.00 0.00 O ATOM 0 H GLY A 7 30.605 6.376 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.242 5.597 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.338 4.225 -6.502 1.00 0.00 H new ATOM 80 N GLY A 8 27.248 5.691 -5.666 1.00 0.00 N ATOM 81 CA GLY A 8 25.988 6.396 -5.510 1.00 0.00 C ATOM 82 C GLY A 8 25.135 5.656 -4.490 1.00 0.00 C ATOM 83 O GLY A 8 25.457 4.517 -4.135 1.00 0.00 O ATOM 0 H GLY A 8 27.288 4.832 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.167 7.420 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.467 6.455 -6.466 1.00 0.00 H new ATOM 87 N LYS A 9 24.049 6.275 -4.023 1.00 0.00 N ATOM 88 CA LYS A 9 23.233 5.791 -2.933 1.00 0.00 C ATOM 89 C LYS A 9 21.771 5.982 -3.290 1.00 0.00 C ATOM 90 O LYS A 9 21.400 6.880 -4.045 1.00 0.00 O ATOM 91 CB LYS A 9 23.644 6.494 -1.623 1.00 0.00 C ATOM 92 CG LYS A 9 23.098 5.813 -0.358 1.00 0.00 C ATOM 93 CD LYS A 9 23.767 6.293 0.936 1.00 0.00 C ATOM 94 CE LYS A 9 23.232 5.436 2.093 1.00 0.00 C ATOM 95 NZ LYS A 9 23.900 5.726 3.379 1.00 0.00 N ATOM 0 H LYS A 9 23.711 7.155 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 9 23.387 4.724 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.732 6.528 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.293 7.526 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.025 5.995 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.233 4.735 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.850 6.200 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.549 7.347 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.161 5.606 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.365 4.382 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.203 5.684 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.647 5.022 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.321 6.676 3.345 1.00 0.00 H new ATOM 109 N GLY A 10 20.961 5.124 -2.693 1.00 0.00 N ATOM 110 CA GLY A 10 19.510 5.140 -2.699 1.00 0.00 C ATOM 111 C GLY A 10 19.019 5.078 -1.257 1.00 0.00 C ATOM 112 O GLY A 10 19.563 5.757 -0.381 1.00 0.00 O ATOM 0 H GLY A 10 21.329 4.341 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.143 6.044 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.124 4.293 -3.267 1.00 0.00 H new ATOM 116 N ALA A 11 17.986 4.280 -0.997 1.00 0.00 N ATOM 117 CA ALA A 11 17.276 4.259 0.288 1.00 0.00 C ATOM 118 C ALA A 11 16.695 2.864 0.581 1.00 0.00 C ATOM 119 O ALA A 11 16.873 1.951 -0.219 1.00 0.00 O ATOM 120 CB ALA A 11 16.207 5.368 0.271 1.00 0.00 C ATOM 0 H ALA A 11 17.611 3.620 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 11 17.967 4.461 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.668 5.368 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.688 6.335 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.507 5.186 -0.545 1.00 0.00 H new ATOM 126 N MET A 12 15.984 2.704 1.705 1.00 0.00 N ATOM 127 CA MET A 12 15.051 1.601 1.929 1.00 0.00 C ATOM 128 C MET A 12 13.646 2.175 1.851 1.00 0.00 C ATOM 129 O MET A 12 13.461 3.352 2.189 1.00 0.00 O ATOM 130 CB MET A 12 15.194 0.988 3.329 1.00 0.00 C ATOM 131 CG MET A 12 16.601 0.497 3.654 1.00 0.00 C ATOM 132 SD MET A 12 16.653 -0.950 4.745 1.00 0.00 S ATOM 133 CE MET A 12 16.067 -2.261 3.634 1.00 0.00 C ATOM 0 H MET A 12 16.044 3.349 2.493 1.00 0.00 H new ATOM 0 HA MET A 12 15.254 0.831 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 12 14.900 1.731 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.499 0.153 3.421 1.00 0.00 H new ATOM 0 HG2 MET A 12 17.112 0.254 2.723 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.158 1.309 4.121 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.361 -2.899 4.165 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.574 -1.813 2.771 1.00 0.00 H new ATOM 0 HE3 MET A 12 16.914 -2.859 3.298 1.00 0.00 H new ATOM 143 N TYR A 13 12.667 1.325 1.539 1.00 0.00 N ATOM 144 CA TYR A 13 11.263 1.689 1.499 1.00 0.00 C ATOM 145 C TYR A 13 10.414 0.640 2.216 1.00 0.00 C ATOM 146 O TYR A 13 10.626 -0.564 2.046 1.00 0.00 O ATOM 147 CB TYR A 13 10.824 1.885 0.033 1.00 0.00 C ATOM 148 CG TYR A 13 11.201 3.212 -0.618 1.00 0.00 C ATOM 149 CD1 TYR A 13 11.156 4.406 0.128 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.539 3.269 -1.989 1.00 0.00 C ATOM 151 CE1 TYR A 13 11.492 5.627 -0.459 1.00 0.00 C ATOM 152 CE2 TYR A 13 11.888 4.497 -2.596 1.00 0.00 C ATOM 153 CZ TYR A 13 11.884 5.675 -1.807 1.00 0.00 C ATOM 154 OH TYR A 13 12.221 6.894 -2.290 1.00 0.00 O ATOM 0 H TYR A 13 12.838 0.347 1.304 1.00 0.00 H new ATOM 0 HA TYR A 13 11.115 2.631 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.253 1.079 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.741 1.776 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.858 4.376 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.531 2.365 -2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.451 6.535 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.153 4.537 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 13 12.086 6.910 -3.260 1.00 0.00 H new ATOM 164 N GLU A 14 9.449 1.125 3.000 1.00 0.00 N ATOM 165 CA GLU A 14 8.388 0.392 3.670 1.00 0.00 C ATOM 166 C GLU A 14 7.075 1.146 3.438 1.00 0.00 C ATOM 167 O GLU A 14 7.029 2.373 3.551 1.00 0.00 O ATOM 168 CB GLU A 14 8.736 0.263 5.163 1.00 0.00 C ATOM 169 CG GLU A 14 7.653 -0.416 6.018 1.00 0.00 C ATOM 170 CD GLU A 14 8.122 -0.684 7.452 1.00 0.00 C ATOM 171 OE1 GLU A 14 8.616 0.246 8.132 1.00 0.00 O ATOM 172 OE2 GLU A 14 8.009 -1.839 7.935 1.00 0.00 O ATOM 0 H GLU A 14 9.390 2.125 3.195 1.00 0.00 H new ATOM 0 HA GLU A 14 8.278 -0.618 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.663 -0.302 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.927 1.258 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.764 0.215 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.363 -1.358 5.552 1.00 0.00 H new ATOM 179 N VAL A 15 6.018 0.435 3.068 1.00 0.00 N ATOM 180 CA VAL A 15 4.637 0.896 3.020 1.00 0.00 C ATOM 181 C VAL A 15 3.864 0.194 4.133 1.00 0.00 C ATOM 182 O VAL A 15 4.190 -0.911 4.575 1.00 0.00 O ATOM 183 CB VAL A 15 4.038 0.644 1.611 1.00 0.00 C ATOM 184 CG1 VAL A 15 4.112 -0.832 1.170 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.585 1.128 1.481 1.00 0.00 C ATOM 0 H VAL A 15 6.108 -0.538 2.776 1.00 0.00 H new ATOM 0 HA VAL A 15 4.573 1.971 3.187 1.00 0.00 H new ATOM 0 HB VAL A 15 4.669 1.236 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.676 -0.937 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.154 -1.153 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.559 -1.451 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.222 0.924 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.961 0.604 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.540 2.200 1.673 1.00 0.00 H new ATOM 195 N THR A 16 2.784 0.830 4.551 1.00 0.00 N ATOM 196 CA THR A 16 1.813 0.305 5.478 1.00 0.00 C ATOM 197 C THR A 16 0.479 0.761 4.938 1.00 0.00 C ATOM 198 O THR A 16 0.380 1.855 4.376 1.00 0.00 O ATOM 199 CB THR A 16 2.076 0.841 6.897 1.00 0.00 C ATOM 200 OG1 THR A 16 2.832 2.029 6.877 1.00 0.00 O ATOM 201 CG2 THR A 16 2.913 -0.133 7.709 1.00 0.00 C ATOM 0 H THR A 16 2.555 1.772 4.234 1.00 0.00 H new ATOM 0 HA THR A 16 1.855 -0.781 5.563 1.00 0.00 H new ATOM 0 HB THR A 16 1.088 0.998 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.786 1.810 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.081 0.275 8.706 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.388 -1.085 7.790 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.872 -0.289 7.214 1.00 0.00 H new ATOM 209 N ILE A 17 -0.520 -0.092 5.083 1.00 0.00 N ATOM 210 CA ILE A 17 -1.857 0.143 4.606 1.00 0.00 C ATOM 211 C ILE A 17 -2.763 -0.230 5.758 1.00 0.00 C ATOM 212 O ILE A 17 -2.986 -1.414 5.960 1.00 0.00 O ATOM 213 CB ILE A 17 -2.092 -0.649 3.292 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.581 -0.730 2.895 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.529 -2.079 3.250 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.261 0.627 2.759 1.00 0.00 C ATOM 0 H ILE A 17 -0.412 -0.992 5.551 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.058 1.178 4.329 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.525 -0.050 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.665 -1.264 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.114 -1.319 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.755 -2.531 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.449 -2.049 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.984 -2.672 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.304 0.485 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.210 1.156 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.755 1.212 1.991 1.00 0.00 H new ATOM 228 N GLU A 18 -3.211 0.732 6.562 1.00 0.00 N ATOM 229 CA GLU A 18 -4.368 0.499 7.410 1.00 0.00 C ATOM 230 C GLU A 18 -5.594 0.655 6.516 1.00 0.00 C ATOM 231 O GLU A 18 -5.642 1.503 5.621 1.00 0.00 O ATOM 232 CB GLU A 18 -4.428 1.476 8.596 1.00 0.00 C ATOM 233 CG GLU A 18 -3.570 1.055 9.799 1.00 0.00 C ATOM 234 CD GLU A 18 -4.336 1.197 11.121 1.00 0.00 C ATOM 235 OE1 GLU A 18 -4.673 2.339 11.517 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.626 0.178 11.788 1.00 0.00 O ATOM 0 H GLU A 18 -2.797 1.661 6.641 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.316 -0.496 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.104 2.460 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.464 1.575 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.250 0.021 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.668 1.666 9.834 1.00 0.00 H new ATOM 243 N GLN A 19 -6.605 -0.157 6.769 1.00 0.00 N ATOM 244 CA GLN A 19 -7.903 -0.102 6.149 1.00 0.00 C ATOM 245 C GLN A 19 -8.891 0.106 7.278 1.00 0.00 C ATOM 246 O GLN A 19 -8.835 -0.604 8.287 1.00 0.00 O ATOM 247 CB GLN A 19 -8.174 -1.427 5.442 1.00 0.00 C ATOM 248 CG GLN A 19 -7.223 -1.677 4.263 1.00 0.00 C ATOM 249 CD GLN A 19 -7.757 -2.790 3.373 1.00 0.00 C ATOM 250 OE1 GLN A 19 -7.985 -2.623 2.182 1.00 0.00 O ATOM 251 NE2 GLN A 19 -8.001 -3.950 3.934 1.00 0.00 N ATOM 0 H GLN A 19 -6.531 -0.912 7.451 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.977 0.696 5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.079 -2.242 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.203 -1.438 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.107 -0.762 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.234 -1.945 4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.810 -4.087 4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.382 -4.716 3.378 1.00 0.00 H new ATOM 260 N SER A 20 -9.786 1.074 7.133 1.00 0.00 N ATOM 261 CA SER A 20 -10.772 1.381 8.154 1.00 0.00 C ATOM 262 C SER A 20 -12.169 1.028 7.665 1.00 0.00 C ATOM 263 O SER A 20 -12.358 0.816 6.467 1.00 0.00 O ATOM 264 CB SER A 20 -10.671 2.852 8.565 1.00 0.00 C ATOM 265 OG SER A 20 -9.341 3.323 8.695 1.00 0.00 O ATOM 0 H SER A 20 -9.847 1.666 6.305 1.00 0.00 H new ATOM 0 HA SER A 20 -10.570 0.776 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.191 3.462 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.189 2.990 9.514 1.00 0.00 H new ATOM 0 HG SER A 20 -9.238 3.780 9.556 1.00 0.00 H new ATOM 271 N GLY A 21 -13.135 0.979 8.586 1.00 0.00 N ATOM 272 CA GLY A 21 -14.537 0.779 8.259 1.00 0.00 C ATOM 273 C GLY A 21 -14.767 -0.571 7.586 1.00 0.00 C ATOM 274 O GLY A 21 -14.118 -1.568 7.925 1.00 0.00 O ATOM 0 H GLY A 21 -12.958 1.078 9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.136 0.841 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.875 1.578 7.599 1.00 0.00 H new ATOM 278 N ASP A 22 -15.745 -0.640 6.685 1.00 0.00 N ATOM 279 CA ASP A 22 -16.084 -1.861 5.959 1.00 0.00 C ATOM 280 C ASP A 22 -15.105 -2.084 4.810 1.00 0.00 C ATOM 281 O ASP A 22 -15.384 -1.798 3.652 1.00 0.00 O ATOM 282 CB ASP A 22 -17.531 -1.846 5.463 1.00 0.00 C ATOM 283 CG ASP A 22 -17.975 -3.282 5.143 1.00 0.00 C ATOM 284 OD1 ASP A 22 -17.213 -4.071 4.531 1.00 0.00 O ATOM 285 OD2 ASP A 22 -19.045 -3.688 5.653 1.00 0.00 O ATOM 0 H ASP A 22 -16.330 0.158 6.436 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.998 -2.697 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.183 -1.412 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.616 -1.221 4.574 1.00 0.00 H new ATOM 290 N PHE A 23 -13.907 -2.564 5.127 1.00 0.00 N ATOM 291 CA PHE A 23 -12.915 -2.934 4.124 1.00 0.00 C ATOM 292 C PHE A 23 -13.129 -4.350 3.581 1.00 0.00 C ATOM 293 O PHE A 23 -12.418 -4.777 2.668 1.00 0.00 O ATOM 294 CB PHE A 23 -11.519 -2.751 4.724 1.00 0.00 C ATOM 295 CG PHE A 23 -11.258 -3.487 6.028 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.077 -4.884 6.048 1.00 0.00 C ATOM 297 CD2 PHE A 23 -11.211 -2.767 7.236 1.00 0.00 C ATOM 298 CE1 PHE A 23 -10.868 -5.551 7.267 1.00 0.00 C ATOM 299 CE2 PHE A 23 -10.984 -3.432 8.453 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.814 -4.826 8.471 1.00 0.00 C ATOM 0 H PHE A 23 -13.596 -2.708 6.088 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.025 -2.278 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.783 -3.079 3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.352 -1.687 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.099 -5.443 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.350 -1.696 7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.748 -6.624 7.279 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.940 -2.871 9.375 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.642 -5.339 9.406 1.00 0.00 H new ATOM 310 N ARG A 24 -14.075 -5.104 4.146 1.00 0.00 N ATOM 311 CA ARG A 24 -14.387 -6.455 3.698 1.00 0.00 C ATOM 312 C ARG A 24 -15.057 -6.366 2.343 1.00 0.00 C ATOM 313 O ARG A 24 -14.555 -6.939 1.384 1.00 0.00 O ATOM 314 CB ARG A 24 -15.314 -7.159 4.698 1.00 0.00 C ATOM 315 CG ARG A 24 -14.590 -7.483 6.006 1.00 0.00 C ATOM 316 CD ARG A 24 -15.592 -8.045 7.012 1.00 0.00 C ATOM 317 NE ARG A 24 -14.930 -8.356 8.286 1.00 0.00 N ATOM 318 CZ ARG A 24 -14.471 -9.554 8.665 1.00 0.00 C ATOM 319 NH1 ARG A 24 -14.619 -10.636 7.910 1.00 0.00 N ATOM 320 NH2 ARG A 24 -13.860 -9.667 9.835 1.00 0.00 N ATOM 0 H ARG A 24 -14.646 -4.789 4.930 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.468 -7.037 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -16.175 -6.524 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.696 -8.079 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.794 -8.206 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.120 -6.585 6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.391 -7.323 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.055 -8.945 6.608 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.809 -7.586 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.095 -10.569 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.257 -11.534 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.745 -8.848 10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.504 -10.573 10.139 1.00 0.00 H new ATOM 334 N SER A 25 -16.165 -5.635 2.272 1.00 0.00 N ATOM 335 CA SER A 25 -17.207 -5.768 1.267 1.00 0.00 C ATOM 336 C SER A 25 -16.844 -5.110 -0.076 1.00 0.00 C ATOM 337 O SER A 25 -17.695 -4.470 -0.698 1.00 0.00 O ATOM 338 CB SER A 25 -18.498 -5.182 1.865 1.00 0.00 C ATOM 339 OG SER A 25 -18.752 -5.669 3.177 1.00 0.00 O ATOM 0 H SER A 25 -16.368 -4.899 2.948 1.00 0.00 H new ATOM 0 HA SER A 25 -17.340 -6.822 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.423 -4.095 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 25 -19.340 -5.428 1.218 1.00 0.00 H new ATOM 0 HG SER A 25 -18.085 -5.305 3.796 1.00 0.00 H new ATOM 345 N PHE A 26 -15.573 -5.150 -0.479 1.00 0.00 N ATOM 346 CA PHE A 26 -14.976 -4.231 -1.440 1.00 0.00 C ATOM 347 C PHE A 26 -13.777 -4.867 -2.151 1.00 0.00 C ATOM 348 O PHE A 26 -12.750 -5.105 -1.512 1.00 0.00 O ATOM 349 CB PHE A 26 -14.550 -2.987 -0.653 1.00 0.00 C ATOM 350 CG PHE A 26 -15.683 -2.032 -0.396 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.053 -1.090 -1.375 1.00 0.00 C ATOM 352 CD2 PHE A 26 -16.392 -2.117 0.809 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.144 -0.237 -1.141 1.00 0.00 C ATOM 354 CE2 PHE A 26 -17.488 -1.282 1.035 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.859 -0.341 0.063 1.00 0.00 C ATOM 0 H PHE A 26 -14.913 -5.846 -0.133 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.692 -3.974 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.121 -3.297 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.764 -2.469 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.501 -1.024 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.091 -2.829 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.431 0.494 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.048 -1.360 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.702 0.309 0.242 1.00 0.00 H new ATOM 365 N ILE A 27 -13.896 -5.100 -3.465 1.00 0.00 N ATOM 366 CA ILE A 27 -12.895 -5.681 -4.371 1.00 0.00 C ATOM 367 C ILE A 27 -11.679 -4.760 -4.580 1.00 0.00 C ATOM 368 O ILE A 27 -11.508 -4.086 -5.602 1.00 0.00 O ATOM 369 CB ILE A 27 -13.537 -6.127 -5.712 1.00 0.00 C ATOM 370 CG1 ILE A 27 -14.590 -5.150 -6.273 1.00 0.00 C ATOM 371 CG2 ILE A 27 -14.139 -7.533 -5.563 1.00 0.00 C ATOM 372 CD1 ILE A 27 -15.192 -5.551 -7.624 1.00 0.00 C ATOM 0 H ILE A 27 -14.758 -4.870 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.508 -6.577 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.728 -6.134 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.397 -5.054 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.133 -4.166 -6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.588 -7.839 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.354 -8.238 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -14.903 -7.521 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.921 -4.802 -7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.400 -5.617 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.684 -6.519 -7.530 1.00 0.00 H new ATOM 384 N LYS A 28 -10.835 -4.713 -3.558 1.00 0.00 N ATOM 385 CA LYS A 28 -9.614 -3.919 -3.430 1.00 0.00 C ATOM 386 C LYS A 28 -8.450 -4.534 -4.211 1.00 0.00 C ATOM 387 O LYS A 28 -8.489 -5.720 -4.548 1.00 0.00 O ATOM 388 CB LYS A 28 -9.320 -3.774 -1.923 1.00 0.00 C ATOM 389 CG LYS A 28 -9.307 -5.105 -1.135 1.00 0.00 C ATOM 390 CD LYS A 28 -9.696 -4.928 0.340 1.00 0.00 C ATOM 391 CE LYS A 28 -10.163 -6.250 0.962 1.00 0.00 C ATOM 392 NZ LYS A 28 -11.553 -6.593 0.603 1.00 0.00 N ATOM 0 H LYS A 28 -10.999 -5.277 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.749 -2.931 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.353 -3.286 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.068 -3.114 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.995 -5.807 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.312 -5.546 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.843 -4.544 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.490 -4.186 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.501 -7.053 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.078 -6.185 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.787 -7.534 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.200 -5.887 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.652 -6.600 -0.432 1.00 0.00 H new ATOM 406 N SER A 29 -7.410 -3.752 -4.517 1.00 0.00 N ATOM 407 CA SER A 29 -6.224 -4.233 -5.227 1.00 0.00 C ATOM 408 C SER A 29 -5.031 -3.323 -4.920 1.00 0.00 C ATOM 409 O SER A 29 -5.212 -2.131 -4.663 1.00 0.00 O ATOM 410 CB SER A 29 -6.532 -4.231 -6.733 1.00 0.00 C ATOM 411 OG SER A 29 -5.563 -4.942 -7.478 1.00 0.00 O ATOM 0 H SER A 29 -7.369 -2.762 -4.277 1.00 0.00 H new ATOM 0 HA SER A 29 -5.971 -5.243 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.514 -4.673 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.580 -3.203 -7.091 1.00 0.00 H new ATOM 0 HG SER A 29 -5.798 -4.917 -8.429 1.00 0.00 H new ATOM 417 N VAL A 30 -3.813 -3.866 -4.995 1.00 0.00 N ATOM 418 CA VAL A 30 -2.547 -3.146 -4.841 1.00 0.00 C ATOM 419 C VAL A 30 -1.660 -3.470 -6.039 1.00 0.00 C ATOM 420 O VAL A 30 -1.557 -4.623 -6.451 1.00 0.00 O ATOM 421 CB VAL A 30 -1.846 -3.554 -3.525 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.412 -3.017 -3.398 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.615 -3.096 -2.284 1.00 0.00 C ATOM 0 H VAL A 30 -3.677 -4.861 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.736 -2.073 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.819 -4.642 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.016 -3.343 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.194 -3.399 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.427 -1.928 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.079 -3.408 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.706 -2.010 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.609 -3.543 -2.286 1.00 0.00 H new ATOM 433 N VAL A 31 -0.958 -2.459 -6.540 1.00 0.00 N ATOM 434 CA VAL A 31 0.178 -2.523 -7.443 1.00 0.00 C ATOM 435 C VAL A 31 1.396 -2.188 -6.565 1.00 0.00 C ATOM 436 O VAL A 31 1.357 -1.188 -5.839 1.00 0.00 O ATOM 437 CB VAL A 31 -0.034 -1.464 -8.554 1.00 0.00 C ATOM 438 CG1 VAL A 31 1.040 -1.534 -9.643 1.00 0.00 C ATOM 439 CG2 VAL A 31 -1.410 -1.555 -9.239 1.00 0.00 C ATOM 0 H VAL A 31 -1.191 -1.495 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 31 0.308 -3.490 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 31 0.033 -0.514 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.844 -0.771 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.020 -1.362 -9.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.021 -2.519 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.487 -0.783 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.523 -2.536 -9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.196 -1.410 -8.498 1.00 0.00 H new ATOM 449 N VAL A 32 2.463 -2.995 -6.576 1.00 0.00 N ATOM 450 CA VAL A 32 3.693 -2.713 -5.826 1.00 0.00 C ATOM 451 C VAL A 32 4.920 -2.912 -6.725 1.00 0.00 C ATOM 452 O VAL A 32 4.908 -3.763 -7.617 1.00 0.00 O ATOM 453 CB VAL A 32 3.709 -3.502 -4.499 1.00 0.00 C ATOM 454 CG1 VAL A 32 3.739 -5.009 -4.726 1.00 0.00 C ATOM 455 CG2 VAL A 32 4.869 -3.077 -3.587 1.00 0.00 C ATOM 0 H VAL A 32 2.498 -3.865 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 32 3.728 -1.665 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 32 2.775 -3.257 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.749 -5.522 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.855 -5.310 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.634 -5.274 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.840 -3.659 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.816 -3.253 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.776 -2.017 -3.350 1.00 0.00 H new ATOM 465 N VAL A 33 5.977 -2.125 -6.512 1.00 0.00 N ATOM 466 CA VAL A 33 7.239 -2.159 -7.250 1.00 0.00 C ATOM 467 C VAL A 33 8.343 -1.934 -6.212 1.00 0.00 C ATOM 468 O VAL A 33 8.106 -1.245 -5.221 1.00 0.00 O ATOM 469 CB VAL A 33 7.259 -1.059 -8.347 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.505 -1.164 -9.248 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.018 -1.085 -9.255 1.00 0.00 C ATOM 0 H VAL A 33 5.974 -1.411 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 33 7.379 -3.109 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 33 7.272 -0.121 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.477 -0.376 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.403 -1.055 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.517 -2.136 -9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.095 -0.292 -9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.956 -2.050 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.123 -0.932 -8.652 1.00 0.00 H new ATOM 481 N ALA A 34 9.540 -2.483 -6.441 1.00 0.00 N ATOM 482 CA ALA A 34 10.745 -2.202 -5.675 1.00 0.00 C ATOM 483 C ALA A 34 11.920 -2.306 -6.648 1.00 0.00 C ATOM 484 O ALA A 34 12.311 -3.415 -7.010 1.00 0.00 O ATOM 485 CB ALA A 34 10.886 -3.188 -4.505 1.00 0.00 C ATOM 0 H ALA A 34 9.695 -3.157 -7.191 1.00 0.00 H new ATOM 0 HA ALA A 34 10.710 -1.206 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.793 -2.961 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.021 -3.098 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.944 -4.206 -4.892 1.00 0.00 H new ATOM 491 N ASN A 35 12.435 -1.176 -7.137 1.00 0.00 N ATOM 492 CA ASN A 35 13.581 -1.189 -8.051 1.00 0.00 C ATOM 493 C ASN A 35 14.818 -1.644 -7.289 1.00 0.00 C ATOM 494 O ASN A 35 15.223 -0.948 -6.358 1.00 0.00 O ATOM 495 CB ASN A 35 13.849 0.203 -8.642 1.00 0.00 C ATOM 496 CG ASN A 35 15.009 0.242 -9.628 1.00 0.00 C ATOM 497 OD1 ASN A 35 15.638 -0.763 -9.934 1.00 0.00 O ATOM 498 ND2 ASN A 35 15.334 1.420 -10.130 1.00 0.00 N ATOM 0 H ASN A 35 12.080 -0.245 -6.918 1.00 0.00 H new ATOM 0 HA ASN A 35 13.354 -1.872 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.947 0.554 -9.143 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.053 0.899 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.116 1.499 -10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.803 2.250 -9.868 1.00 0.00 H new ATOM 505 N GLY A 36 15.423 -2.761 -7.688 1.00 0.00 N ATOM 506 CA GLY A 36 16.804 -3.083 -7.356 1.00 0.00 C ATOM 507 C GLY A 36 16.953 -4.189 -6.319 1.00 0.00 C ATOM 508 O GLY A 36 18.052 -4.731 -6.164 1.00 0.00 O ATOM 0 H GLY A 36 14.962 -3.472 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.325 -3.380 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.297 -2.184 -6.986 1.00 0.00 H new ATOM 512 N THR A 37 15.869 -4.537 -5.624 1.00 0.00 N ATOM 513 CA THR A 37 15.846 -5.528 -4.562 1.00 0.00 C ATOM 514 C THR A 37 14.477 -6.226 -4.522 1.00 0.00 C ATOM 515 O THR A 37 13.578 -5.896 -5.301 1.00 0.00 O ATOM 516 CB THR A 37 16.249 -4.833 -3.252 1.00 0.00 C ATOM 517 OG1 THR A 37 16.621 -5.788 -2.284 1.00 0.00 O ATOM 518 CG2 THR A 37 15.131 -3.939 -2.719 1.00 0.00 C ATOM 0 H THR A 37 14.955 -4.119 -5.796 1.00 0.00 H new ATOM 0 HA THR A 37 16.566 -6.328 -4.735 1.00 0.00 H new ATOM 0 HB THR A 37 17.106 -4.194 -3.467 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.943 -5.818 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.454 -3.465 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.897 -3.171 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.243 -4.542 -2.528 1.00 0.00 H new ATOM 526 N GLN A 38 14.307 -7.194 -3.617 1.00 0.00 N ATOM 527 CA GLN A 38 13.028 -7.850 -3.372 1.00 0.00 C ATOM 528 C GLN A 38 12.259 -7.096 -2.296 1.00 0.00 C ATOM 529 O GLN A 38 12.845 -6.455 -1.417 1.00 0.00 O ATOM 530 CB GLN A 38 13.245 -9.307 -2.937 1.00 0.00 C ATOM 531 CG GLN A 38 13.158 -10.258 -4.130 1.00 0.00 C ATOM 532 CD GLN A 38 13.561 -11.665 -3.708 1.00 0.00 C ATOM 533 OE1 GLN A 38 14.738 -11.939 -3.478 1.00 0.00 O ATOM 534 NE2 GLN A 38 12.611 -12.576 -3.575 1.00 0.00 N ATOM 0 H GLN A 38 15.064 -7.545 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 38 12.451 -7.846 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.220 -9.406 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.497 -9.583 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.142 -10.265 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.810 -9.909 -4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.640 -12.332 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.850 -13.522 -3.278 1.00 0.00 H new ATOM 543 N LEU A 39 10.941 -7.242 -2.335 1.00 0.00 N ATOM 544 CA LEU A 39 10.037 -6.819 -1.281 1.00 0.00 C ATOM 545 C LEU A 39 10.095 -7.837 -0.141 1.00 0.00 C ATOM 546 O LEU A 39 10.612 -8.941 -0.323 1.00 0.00 O ATOM 547 CB LEU A 39 8.628 -6.728 -1.882 1.00 0.00 C ATOM 548 CG LEU A 39 7.706 -5.712 -1.202 1.00 0.00 C ATOM 549 CD1 LEU A 39 8.126 -4.282 -1.566 1.00 0.00 C ATOM 550 CD2 LEU A 39 6.260 -5.929 -1.642 1.00 0.00 C ATOM 0 H LEU A 39 10.460 -7.671 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 39 10.316 -5.846 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.714 -6.470 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.162 -7.712 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 39 7.785 -5.853 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.461 -3.571 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.150 -4.108 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.065 -4.149 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.617 -5.199 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.186 -5.808 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.943 -6.935 -1.368 1.00 0.00 H new ATOM 562 N LYS A 40 9.545 -7.491 1.015 1.00 0.00 N ATOM 563 CA LYS A 40 9.495 -8.307 2.222 1.00 0.00 C ATOM 564 C LYS A 40 8.095 -8.164 2.805 1.00 0.00 C ATOM 565 O LYS A 40 7.627 -7.031 2.952 1.00 0.00 O ATOM 566 CB LYS A 40 10.564 -7.819 3.210 1.00 0.00 C ATOM 567 CG LYS A 40 10.597 -8.662 4.492 1.00 0.00 C ATOM 568 CD LYS A 40 11.564 -8.059 5.519 1.00 0.00 C ATOM 569 CE LYS A 40 11.190 -8.590 6.905 1.00 0.00 C ATOM 570 NZ LYS A 40 11.976 -7.955 7.979 1.00 0.00 N ATOM 0 H LYS A 40 9.097 -6.584 1.143 1.00 0.00 H new ATOM 0 HA LYS A 40 9.699 -9.356 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.542 -7.852 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.370 -6.778 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.596 -8.720 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.902 -9.681 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.592 -8.327 5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.506 -6.971 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.129 -8.417 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.346 -9.668 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.687 -8.347 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.988 -8.141 7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.808 -6.929 7.972 1.00 0.00 H new ATOM 584 N ASP A 41 7.419 -9.279 3.091 1.00 0.00 N ATOM 585 CA ASP A 41 6.089 -9.239 3.701 1.00 0.00 C ATOM 586 C ASP A 41 6.224 -9.120 5.206 1.00 0.00 C ATOM 587 O ASP A 41 6.822 -9.984 5.851 1.00 0.00 O ATOM 588 CB ASP A 41 5.209 -10.443 3.351 1.00 0.00 C ATOM 589 CG ASP A 41 3.722 -10.093 3.533 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.367 -9.468 4.560 1.00 0.00 O ATOM 591 OD2 ASP A 41 2.922 -10.384 2.612 1.00 0.00 O ATOM 0 H ASP A 41 7.771 -10.219 2.910 1.00 0.00 H new ATOM 0 HA ASP A 41 5.586 -8.365 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.393 -10.749 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.470 -11.289 3.987 1.00 0.00 H new ATOM 596 N GLY A 42 5.658 -8.062 5.783 1.00 0.00 N ATOM 597 CA GLY A 42 5.689 -7.848 7.215 1.00 0.00 C ATOM 598 C GLY A 42 4.841 -8.854 8.008 1.00 0.00 C ATOM 599 O GLY A 42 4.894 -8.844 9.242 1.00 0.00 O ATOM 0 H GLY A 42 5.167 -7.333 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.721 -7.905 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.336 -6.839 7.430 1.00 0.00 H new ATOM 603 N ALA A 43 4.042 -9.697 7.343 1.00 0.00 N ATOM 604 CA ALA A 43 3.212 -10.721 7.967 1.00 0.00 C ATOM 605 C ALA A 43 4.026 -11.965 8.333 1.00 0.00 C ATOM 606 O ALA A 43 3.648 -12.690 9.258 1.00 0.00 O ATOM 607 CB ALA A 43 2.091 -11.122 7.003 1.00 0.00 C ATOM 0 H ALA A 43 3.956 -9.681 6.327 1.00 0.00 H new ATOM 0 HA ALA A 43 2.798 -10.304 8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.469 -11.887 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.480 -10.249 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.525 -11.515 6.084 1.00 0.00 H new ATOM 613 N THR A 44 5.126 -12.226 7.626 1.00 0.00 N ATOM 614 CA THR A 44 5.874 -13.478 7.700 1.00 0.00 C ATOM 615 C THR A 44 7.371 -13.209 7.809 1.00 0.00 C ATOM 616 O THR A 44 8.036 -13.796 8.662 1.00 0.00 O ATOM 617 CB THR A 44 5.544 -14.349 6.470 1.00 0.00 C ATOM 618 OG1 THR A 44 5.489 -13.553 5.298 1.00 0.00 O ATOM 619 CG2 THR A 44 4.200 -15.057 6.641 1.00 0.00 C ATOM 0 H THR A 44 5.530 -11.556 6.971 1.00 0.00 H new ATOM 0 HA THR A 44 5.578 -14.021 8.598 1.00 0.00 H new ATOM 0 HB THR A 44 6.335 -15.093 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.984 -14.026 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.993 -15.663 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.236 -15.698 7.522 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.411 -14.315 6.764 1.00 0.00 H new ATOM 627 N GLY A 45 7.905 -12.277 7.020 1.00 0.00 N ATOM 628 CA GLY A 45 9.331 -12.156 6.768 1.00 0.00 C ATOM 629 C GLY A 45 9.732 -12.916 5.502 1.00 0.00 C ATOM 630 O GLY A 45 10.930 -13.136 5.296 1.00 0.00 O ATOM 0 H GLY A 45 7.346 -11.577 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.597 -11.104 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.889 -12.543 7.621 1.00 0.00 H new ATOM 634 N GLU A 46 8.768 -13.338 4.672 1.00 0.00 N ATOM 635 CA GLU A 46 9.043 -13.847 3.338 1.00 0.00 C ATOM 636 C GLU A 46 9.568 -12.712 2.465 1.00 0.00 C ATOM 637 O GLU A 46 9.285 -11.537 2.723 1.00 0.00 O ATOM 638 CB GLU A 46 7.773 -14.435 2.703 1.00 0.00 C ATOM 639 CG GLU A 46 7.349 -15.761 3.347 1.00 0.00 C ATOM 640 CD GLU A 46 6.846 -16.742 2.295 1.00 0.00 C ATOM 641 OE1 GLU A 46 5.653 -16.682 1.914 1.00 0.00 O ATOM 642 OE2 GLU A 46 7.672 -17.539 1.783 1.00 0.00 O ATOM 0 H GLU A 46 7.777 -13.333 4.915 1.00 0.00 H new ATOM 0 HA GLU A 46 9.789 -14.638 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.960 -13.715 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.943 -14.591 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.193 -16.196 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.566 -15.578 4.083 1.00 0.00 H new ATOM 649 N SER A 47 10.295 -13.075 1.413 1.00 0.00 N ATOM 650 CA SER A 47 10.850 -12.170 0.421 1.00 0.00 C ATOM 651 C SER A 47 10.156 -12.415 -0.918 1.00 0.00 C ATOM 652 O SER A 47 9.976 -13.567 -1.327 1.00 0.00 O ATOM 653 CB SER A 47 12.371 -12.339 0.377 1.00 0.00 C ATOM 654 OG SER A 47 12.763 -13.702 0.329 1.00 0.00 O ATOM 0 H SER A 47 10.521 -14.051 1.223 1.00 0.00 H new ATOM 0 HA SER A 47 10.666 -11.127 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.766 -11.819 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.812 -11.868 1.256 1.00 0.00 H new ATOM 0 HG SER A 47 13.741 -13.760 0.300 1.00 0.00 H new ATOM 660 N LEU A 48 9.742 -11.343 -1.596 1.00 0.00 N ATOM 661 CA LEU A 48 8.753 -11.393 -2.670 1.00 0.00 C ATOM 662 C LEU A 48 9.277 -10.631 -3.880 1.00 0.00 C ATOM 663 O LEU A 48 9.883 -9.562 -3.748 1.00 0.00 O ATOM 664 CB LEU A 48 7.415 -10.805 -2.199 1.00 0.00 C ATOM 665 CG LEU A 48 6.827 -11.419 -0.913 1.00 0.00 C ATOM 666 CD1 LEU A 48 5.632 -10.572 -0.480 1.00 0.00 C ATOM 667 CD2 LEU A 48 6.402 -12.878 -1.108 1.00 0.00 C ATOM 0 H LEU A 48 10.091 -10.403 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 48 8.583 -12.433 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.546 -9.735 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.686 -10.922 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 48 7.598 -11.420 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.200 -10.990 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.960 -9.550 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.881 -10.571 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.994 -13.266 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.642 -12.935 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.267 -13.473 -1.401 1.00 0.00 H new ATOM 679 N ALA A 49 9.075 -11.203 -5.065 1.00 0.00 N ATOM 680 CA ALA A 49 9.696 -10.789 -6.313 1.00 0.00 C ATOM 681 C ALA A 49 8.908 -9.654 -6.969 1.00 0.00 C ATOM 682 O ALA A 49 8.421 -9.801 -8.088 1.00 0.00 O ATOM 683 CB ALA A 49 9.839 -12.011 -7.227 1.00 0.00 C ATOM 0 H ALA A 49 8.448 -11.999 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 49 10.691 -10.390 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.304 -11.711 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.461 -12.761 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.854 -12.432 -7.428 1.00 0.00 H new ATOM 689 N SER A 50 8.824 -8.498 -6.307 1.00 0.00 N ATOM 690 CA SER A 50 8.231 -7.297 -6.888 1.00 0.00 C ATOM 691 C SER A 50 8.883 -6.961 -8.244 1.00 0.00 C ATOM 692 O SER A 50 10.071 -7.253 -8.423 1.00 0.00 O ATOM 693 CB SER A 50 8.361 -6.159 -5.881 1.00 0.00 C ATOM 694 OG SER A 50 7.248 -6.174 -5.012 1.00 0.00 O ATOM 0 H SER A 50 9.165 -8.371 -5.354 1.00 0.00 H new ATOM 0 HA SER A 50 7.173 -7.461 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.284 -6.267 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.418 -5.203 -6.401 1.00 0.00 H new ATOM 0 HG SER A 50 7.057 -5.262 -4.710 1.00 0.00 H new ATOM 700 N PRO A 51 8.168 -6.325 -9.193 1.00 0.00 N ATOM 701 CA PRO A 51 6.791 -5.840 -9.085 1.00 0.00 C ATOM 702 C PRO A 51 5.744 -6.960 -9.156 1.00 0.00 C ATOM 703 O PRO A 51 5.887 -7.892 -9.941 1.00 0.00 O ATOM 704 CB PRO A 51 6.626 -4.885 -10.270 1.00 0.00 C ATOM 705 CG PRO A 51 7.541 -5.485 -11.331 1.00 0.00 C ATOM 706 CD PRO A 51 8.717 -5.988 -10.500 1.00 0.00 C ATOM 0 HA PRO A 51 6.628 -5.367 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.591 -4.840 -10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.922 -3.868 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.055 -6.293 -11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.851 -4.743 -12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.180 -6.858 -10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.489 -5.224 -10.414 1.00 0.00 H new ATOM 714 N VAL A 52 4.691 -6.853 -8.338 1.00 0.00 N ATOM 715 CA VAL A 52 3.604 -7.831 -8.183 1.00 0.00 C ATOM 716 C VAL A 52 2.300 -7.063 -7.931 1.00 0.00 C ATOM 717 O VAL A 52 2.333 -5.849 -7.682 1.00 0.00 O ATOM 718 CB VAL A 52 3.969 -8.831 -7.044 1.00 0.00 C ATOM 719 CG1 VAL A 52 2.869 -9.829 -6.649 1.00 0.00 C ATOM 720 CG2 VAL A 52 5.168 -9.710 -7.418 1.00 0.00 C ATOM 0 H VAL A 52 4.566 -6.040 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 52 3.463 -8.429 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 52 4.164 -8.156 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.233 -10.474 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.990 -9.284 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.603 -10.438 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.389 -10.392 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.933 -10.284 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.036 -9.079 -7.609 1.00 0.00 H new ATOM 730 N ILE A 53 1.159 -7.747 -8.060 1.00 0.00 N ATOM 731 CA ILE A 53 -0.180 -7.274 -7.733 1.00 0.00 C ATOM 732 C ILE A 53 -0.684 -8.128 -6.573 1.00 0.00 C ATOM 733 O ILE A 53 -0.462 -9.339 -6.570 1.00 0.00 O ATOM 734 CB ILE A 53 -1.112 -7.427 -8.953 1.00 0.00 C ATOM 735 CG1 ILE A 53 -0.561 -6.742 -10.213 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.550 -6.938 -8.684 1.00 0.00 C ATOM 737 CD1 ILE A 53 -0.103 -5.292 -10.055 1.00 0.00 C ATOM 0 H ILE A 53 1.150 -8.702 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.163 -6.219 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.150 -8.501 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.282 -7.328 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.331 -6.775 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.154 -7.073 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.983 -7.513 -7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.531 -5.882 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.264 -4.920 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.942 -4.679 -9.726 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.696 -5.241 -9.315 1.00 0.00 H new ATOM 749 N LEU A 54 -1.352 -7.512 -5.598 1.00 0.00 N ATOM 750 CA LEU A 54 -1.942 -8.207 -4.457 1.00 0.00 C ATOM 751 C LEU A 54 -3.437 -8.006 -4.575 1.00 0.00 C ATOM 752 O LEU A 54 -3.924 -6.883 -4.751 1.00 0.00 O ATOM 753 CB LEU A 54 -1.418 -7.720 -3.095 1.00 0.00 C ATOM 754 CG LEU A 54 0.045 -8.041 -2.749 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.294 -9.546 -2.610 1.00 0.00 C ATOM 756 CD2 LEU A 54 1.019 -7.425 -3.756 1.00 0.00 C ATOM 0 H LEU A 54 -1.500 -6.503 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.665 -9.261 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.546 -6.638 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.051 -8.148 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 54 0.232 -7.585 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.342 -9.720 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.336 -9.947 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.053 -10.043 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.041 -7.676 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.810 -7.818 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.900 -6.342 -3.761 1.00 0.00 H new ATOM 768 N SER A 55 -4.134 -9.129 -4.557 1.00 0.00 N ATOM 769 CA SER A 55 -5.546 -9.253 -4.808 1.00 0.00 C ATOM 770 C SER A 55 -6.344 -8.883 -3.561 1.00 0.00 C ATOM 771 O SER A 55 -5.812 -8.683 -2.465 1.00 0.00 O ATOM 772 CB SER A 55 -5.830 -10.693 -5.282 1.00 0.00 C ATOM 773 OG SER A 55 -4.839 -11.617 -4.860 1.00 0.00 O ATOM 0 H SER A 55 -3.696 -10.028 -4.354 1.00 0.00 H new ATOM 0 HA SER A 55 -5.859 -8.561 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.801 -11.011 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.893 -10.707 -6.370 1.00 0.00 H new ATOM 0 HG SER A 55 -5.068 -12.513 -5.185 1.00 0.00 H new ATOM 779 N ASP A 56 -7.660 -8.850 -3.742 1.00 0.00 N ATOM 780 CA ASP A 56 -8.653 -8.595 -2.711 1.00 0.00 C ATOM 781 C ASP A 56 -8.471 -9.487 -1.483 1.00 0.00 C ATOM 782 O ASP A 56 -8.619 -9.012 -0.357 1.00 0.00 O ATOM 783 CB ASP A 56 -10.032 -8.825 -3.336 1.00 0.00 C ATOM 784 CG ASP A 56 -11.122 -8.882 -2.276 1.00 0.00 C ATOM 785 OD1 ASP A 56 -11.560 -7.812 -1.819 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.597 -9.993 -1.952 1.00 0.00 O ATOM 0 H ASP A 56 -8.081 -9.008 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.542 -7.570 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.251 -8.024 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.025 -9.756 -3.903 1.00 0.00 H new ATOM 791 N GLU A 57 -8.116 -10.756 -1.699 1.00 0.00 N ATOM 792 CA GLU A 57 -7.999 -11.739 -0.635 1.00 0.00 C ATOM 793 C GLU A 57 -6.797 -11.440 0.250 1.00 0.00 C ATOM 794 O GLU A 57 -6.901 -11.562 1.473 1.00 0.00 O ATOM 795 CB GLU A 57 -7.882 -13.150 -1.217 1.00 0.00 C ATOM 796 CG GLU A 57 -9.185 -13.624 -1.874 1.00 0.00 C ATOM 797 CD GLU A 57 -9.221 -15.145 -2.025 1.00 0.00 C ATOM 798 OE1 GLU A 57 -9.348 -15.839 -0.988 1.00 0.00 O ATOM 799 OE2 GLU A 57 -9.246 -15.661 -3.170 1.00 0.00 O ATOM 0 H GLU A 57 -7.902 -11.126 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.901 -11.683 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.079 -13.170 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.605 -13.845 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.035 -13.298 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.289 -13.158 -2.854 1.00 0.00 H new ATOM 806 N GLU A 58 -5.678 -11.019 -0.343 1.00 0.00 N ATOM 807 CA GLU A 58 -4.463 -10.708 0.395 1.00 0.00 C ATOM 808 C GLU A 58 -4.747 -9.519 1.319 1.00 0.00 C ATOM 809 O GLU A 58 -4.325 -9.496 2.479 1.00 0.00 O ATOM 810 CB GLU A 58 -3.311 -10.387 -0.580 1.00 0.00 C ATOM 811 CG GLU A 58 -3.245 -11.280 -1.832 1.00 0.00 C ATOM 812 CD GLU A 58 -3.260 -12.778 -1.511 1.00 0.00 C ATOM 813 OE1 GLU A 58 -2.329 -13.254 -0.823 1.00 0.00 O ATOM 814 OE2 GLU A 58 -4.210 -13.482 -1.929 1.00 0.00 O ATOM 0 H GLU A 58 -5.594 -10.885 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.158 -11.567 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.404 -9.349 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.367 -10.472 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.089 -11.046 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.339 -11.044 -2.390 1.00 0.00 H new ATOM 821 N LEU A 59 -5.506 -8.549 0.795 1.00 0.00 N ATOM 822 CA LEU A 59 -5.855 -7.284 1.425 1.00 0.00 C ATOM 823 C LEU A 59 -7.098 -7.374 2.328 1.00 0.00 C ATOM 824 O LEU A 59 -7.621 -6.335 2.712 1.00 0.00 O ATOM 825 CB LEU A 59 -6.061 -6.243 0.301 1.00 0.00 C ATOM 826 CG LEU A 59 -4.819 -5.468 -0.167 1.00 0.00 C ATOM 827 CD1 LEU A 59 -4.347 -4.464 0.892 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.658 -6.361 -0.609 1.00 0.00 C ATOM 0 H LEU A 59 -5.914 -8.638 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.042 -6.990 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.486 -6.756 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.804 -5.521 0.640 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.144 -4.924 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.467 -3.935 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.143 -3.747 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.095 -4.995 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.820 -5.739 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.348 -6.993 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.978 -6.988 -1.441 1.00 0.00 H new ATOM 840 N ALA A 60 -7.633 -8.541 2.686 1.00 0.00 N ATOM 841 CA ALA A 60 -8.909 -8.655 3.412 1.00 0.00 C ATOM 842 C ALA A 60 -8.881 -8.219 4.901 1.00 0.00 C ATOM 843 O ALA A 60 -9.754 -8.628 5.668 1.00 0.00 O ATOM 844 CB ALA A 60 -9.425 -10.087 3.267 1.00 0.00 C ATOM 0 H ALA A 60 -7.196 -9.440 2.483 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.588 -7.938 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.371 -10.189 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.577 -10.314 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.696 -10.781 3.686 1.00 0.00 H new ATOM 850 N VAL A 61 -7.902 -7.433 5.356 1.00 0.00 N ATOM 851 CA VAL A 61 -7.514 -7.306 6.767 1.00 0.00 C ATOM 852 C VAL A 61 -7.539 -5.854 7.262 1.00 0.00 C ATOM 853 O VAL A 61 -7.633 -4.929 6.459 1.00 0.00 O ATOM 854 CB VAL A 61 -6.116 -7.925 6.938 1.00 0.00 C ATOM 855 CG1 VAL A 61 -6.139 -9.435 6.728 1.00 0.00 C ATOM 856 CG2 VAL A 61 -5.073 -7.335 5.979 1.00 0.00 C ATOM 0 H VAL A 61 -7.340 -6.850 4.736 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.243 -7.837 7.379 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.830 -7.686 7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.134 -9.836 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.808 -9.893 7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.491 -9.657 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.109 -7.814 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.386 -7.508 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.982 -6.263 6.155 1.00 0.00 H new ATOM 866 N GLU A 62 -7.410 -5.623 8.573 1.00 0.00 N ATOM 867 CA GLU A 62 -7.346 -4.262 9.109 1.00 0.00 C ATOM 868 C GLU A 62 -6.076 -3.532 8.679 1.00 0.00 C ATOM 869 O GLU A 62 -6.104 -2.306 8.554 1.00 0.00 O ATOM 870 CB GLU A 62 -7.487 -4.249 10.649 1.00 0.00 C ATOM 871 CG GLU A 62 -6.403 -5.061 11.378 1.00 0.00 C ATOM 872 CD GLU A 62 -6.326 -4.861 12.895 1.00 0.00 C ATOM 873 OE1 GLU A 62 -7.314 -4.428 13.527 1.00 0.00 O ATOM 874 OE2 GLU A 62 -5.246 -5.118 13.487 1.00 0.00 O ATOM 0 H GLU A 62 -7.348 -6.358 9.278 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.194 -3.723 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.452 -3.217 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.467 -4.644 10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.573 -6.119 11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.434 -4.807 10.948 1.00 0.00 H new ATOM 881 N LYS A 63 -4.956 -4.233 8.456 1.00 0.00 N ATOM 882 CA LYS A 63 -3.724 -3.583 8.024 1.00 0.00 C ATOM 883 C LYS A 63 -2.850 -4.565 7.260 1.00 0.00 C ATOM 884 O LYS A 63 -2.870 -5.753 7.576 1.00 0.00 O ATOM 885 CB LYS A 63 -2.999 -3.005 9.257 1.00 0.00 C ATOM 886 CG LYS A 63 -1.680 -2.263 8.969 1.00 0.00 C ATOM 887 CD LYS A 63 -0.990 -1.857 10.274 1.00 0.00 C ATOM 888 CE LYS A 63 0.361 -1.169 10.015 1.00 0.00 C ATOM 889 NZ LYS A 63 0.305 0.309 10.094 1.00 0.00 N ATOM 0 H LYS A 63 -4.884 -5.244 8.568 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.953 -2.762 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.677 -2.319 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.792 -3.821 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.018 -2.902 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.880 -1.377 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.639 -1.184 10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.835 -2.740 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.089 -1.535 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.721 -1.457 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.250 0.703 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.365 0.669 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.009 0.594 11.044 1.00 0.00 H new ATOM 903 N VAL A 64 -2.027 -4.083 6.327 1.00 0.00 N ATOM 904 CA VAL A 64 -0.854 -4.822 5.875 1.00 0.00 C ATOM 905 C VAL A 64 0.366 -3.901 6.045 1.00 0.00 C ATOM 906 O VAL A 64 0.241 -2.672 6.063 1.00 0.00 O ATOM 907 CB VAL A 64 -1.032 -5.376 4.436 1.00 0.00 C ATOM 908 CG1 VAL A 64 -0.111 -6.574 4.194 1.00 0.00 C ATOM 909 CG2 VAL A 64 -2.456 -5.848 4.104 1.00 0.00 C ATOM 0 H VAL A 64 -2.155 -3.180 5.870 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.704 -5.716 6.480 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.789 -4.528 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.255 -6.944 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.927 -6.267 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.348 -7.365 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.487 -6.219 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.743 -6.647 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.150 -5.014 4.209 1.00 0.00 H new ATOM 919 N THR A 65 1.556 -4.483 6.155 1.00 0.00 N ATOM 920 CA THR A 65 2.836 -3.802 6.306 1.00 0.00 C ATOM 921 C THR A 65 3.819 -4.514 5.379 1.00 0.00 C ATOM 922 O THR A 65 3.945 -5.733 5.504 1.00 0.00 O ATOM 923 CB THR A 65 3.310 -3.937 7.765 1.00 0.00 C ATOM 924 OG1 THR A 65 2.358 -3.454 8.701 1.00 0.00 O ATOM 925 CG2 THR A 65 4.643 -3.223 7.988 1.00 0.00 C ATOM 0 H THR A 65 1.658 -5.498 6.140 1.00 0.00 H new ATOM 0 HA THR A 65 2.760 -2.743 6.060 1.00 0.00 H new ATOM 0 HB THR A 65 3.437 -5.006 7.935 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.708 -3.565 9.610 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.948 -3.338 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.402 -3.657 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.531 -2.163 7.758 1.00 0.00 H new ATOM 933 N LEU A 66 4.519 -3.820 4.477 1.00 0.00 N ATOM 934 CA LEU A 66 5.560 -4.442 3.659 1.00 0.00 C ATOM 935 C LEU A 66 6.738 -3.512 3.497 1.00 0.00 C ATOM 936 O LEU A 66 6.574 -2.299 3.372 1.00 0.00 O ATOM 937 CB LEU A 66 5.050 -4.837 2.272 1.00 0.00 C ATOM 938 CG LEU A 66 4.163 -6.090 2.352 1.00 0.00 C ATOM 939 CD1 LEU A 66 2.696 -5.697 2.212 1.00 0.00 C ATOM 940 CD2 LEU A 66 4.582 -7.096 1.299 1.00 0.00 C ATOM 0 H LEU A 66 4.382 -2.826 4.296 1.00 0.00 H new ATOM 0 HA LEU A 66 5.866 -5.347 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.484 -4.012 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.895 -5.026 1.609 1.00 0.00 H new ATOM 0 HG LEU A 66 4.289 -6.564 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.073 -6.590 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.424 -5.013 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.541 -5.208 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.946 -7.979 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.481 -6.650 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.621 -7.383 1.463 1.00 0.00 H new ATOM 952 N SER A 67 7.919 -4.105 3.422 1.00 0.00 N ATOM 953 CA SER A 67 9.184 -3.403 3.317 1.00 0.00 C ATOM 954 C SER A 67 10.022 -4.018 2.208 1.00 0.00 C ATOM 955 O SER A 67 9.523 -4.750 1.357 1.00 0.00 O ATOM 956 CB SER A 67 9.854 -3.351 4.701 1.00 0.00 C ATOM 957 OG SER A 67 11.002 -2.515 4.712 1.00 0.00 O ATOM 0 H SER A 67 8.025 -5.119 3.433 1.00 0.00 H new ATOM 0 HA SER A 67 9.044 -2.363 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.136 -2.988 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.138 -4.359 5.003 1.00 0.00 H new ATOM 0 HG SER A 67 11.394 -2.510 5.610 1.00 0.00 H new ATOM 963 N THR A 68 11.293 -3.659 2.172 1.00 0.00 N ATOM 964 CA THR A 68 12.267 -4.106 1.209 1.00 0.00 C ATOM 965 C THR A 68 13.299 -4.965 1.925 1.00 0.00 C ATOM 966 O THR A 68 13.617 -4.742 3.098 1.00 0.00 O ATOM 967 CB THR A 68 12.894 -2.883 0.526 1.00 0.00 C ATOM 968 OG1 THR A 68 12.988 -1.750 1.383 1.00 0.00 O ATOM 969 CG2 THR A 68 12.033 -2.465 -0.666 1.00 0.00 C ATOM 0 H THR A 68 11.689 -3.012 2.854 1.00 0.00 H new ATOM 0 HA THR A 68 11.806 -4.715 0.431 1.00 0.00 H new ATOM 0 HB THR A 68 13.899 -3.185 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.091 -1.398 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.479 -1.596 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.974 -3.288 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.031 -2.213 -0.320 1.00 0.00 H new ATOM 977 N THR A 69 13.825 -5.952 1.207 1.00 0.00 N ATOM 978 CA THR A 69 14.907 -6.795 1.698 1.00 0.00 C ATOM 979 C THR A 69 16.268 -6.098 1.629 1.00 0.00 C ATOM 980 O THR A 69 17.238 -6.566 2.222 1.00 0.00 O ATOM 981 CB THR A 69 14.945 -8.119 0.919 1.00 0.00 C ATOM 982 OG1 THR A 69 15.007 -7.888 -0.483 1.00 0.00 O ATOM 983 CG2 THR A 69 13.721 -8.986 1.203 1.00 0.00 C ATOM 0 H THR A 69 13.511 -6.190 0.266 1.00 0.00 H new ATOM 0 HA THR A 69 14.705 -6.999 2.749 1.00 0.00 H new ATOM 0 HB THR A 69 15.841 -8.641 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.182 -7.449 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.790 -9.911 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.679 -9.219 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.819 -8.447 0.914 1.00 0.00 H new ATOM 991 N GLY A 70 16.350 -4.990 0.895 1.00 0.00 N ATOM 992 CA GLY A 70 17.585 -4.298 0.623 1.00 0.00 C ATOM 993 C GLY A 70 17.300 -2.872 0.194 1.00 0.00 C ATOM 994 O GLY A 70 16.193 -2.355 0.347 1.00 0.00 O ATOM 0 H GLY A 70 15.536 -4.548 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.215 -4.299 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.137 -4.818 -0.160 1.00 0.00 H new ATOM 998 N LYS A 71 18.320 -2.211 -0.335 1.00 0.00 N ATOM 999 CA LYS A 71 18.202 -0.872 -0.868 1.00 0.00 C ATOM 1000 C LYS A 71 17.308 -0.918 -2.097 1.00 0.00 C ATOM 1001 O LYS A 71 17.521 -1.762 -2.973 1.00 0.00 O ATOM 1002 CB LYS A 71 19.598 -0.357 -1.215 1.00 0.00 C ATOM 1003 CG LYS A 71 19.595 1.162 -1.381 1.00 0.00 C ATOM 1004 CD LYS A 71 20.956 1.624 -1.879 1.00 0.00 C ATOM 1005 CE LYS A 71 20.905 1.746 -3.398 1.00 0.00 C ATOM 1006 NZ LYS A 71 22.264 1.828 -3.971 1.00 0.00 N ATOM 0 H LYS A 71 19.261 -2.599 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 71 17.757 -0.195 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.299 -0.639 -0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.944 -0.826 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.819 1.459 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.363 1.641 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.217 2.583 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.728 0.914 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.381 0.887 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.336 2.633 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.200 1.910 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.753 2.662 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.797 0.970 -3.724 1.00 0.00 H new ATOM 1020 N ALA A 72 16.346 -0.008 -2.196 1.00 0.00 N ATOM 1021 CA ALA A 72 15.518 0.143 -3.376 1.00 0.00 C ATOM 1022 C ALA A 72 15.655 1.559 -3.904 1.00 0.00 C ATOM 1023 O ALA A 72 15.926 2.492 -3.142 1.00 0.00 O ATOM 1024 CB ALA A 72 14.060 -0.189 -3.052 1.00 0.00 C ATOM 0 H ALA A 72 16.120 0.650 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 72 15.849 -0.553 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.452 -0.071 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.991 -1.218 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.697 0.485 -2.276 1.00 0.00 H new ATOM 1030 N ILE A 73 15.430 1.718 -5.204 1.00 0.00 N ATOM 1031 CA ILE A 73 15.537 3.003 -5.886 1.00 0.00 C ATOM 1032 C ILE A 73 14.152 3.439 -6.374 1.00 0.00 C ATOM 1033 O ILE A 73 14.040 4.477 -7.014 1.00 0.00 O ATOM 1034 CB ILE A 73 16.524 2.948 -7.081 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.613 1.856 -7.035 1.00 0.00 C ATOM 1036 CG2 ILE A 73 17.178 4.332 -7.257 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.623 1.958 -5.883 1.00 0.00 C ATOM 0 H ILE A 73 15.165 0.950 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 73 15.929 3.728 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 73 15.909 2.667 -7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.122 0.884 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.162 1.879 -7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.874 4.302 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.406 5.077 -7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.717 4.598 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.339 1.139 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 73 19.152 2.909 -5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.096 1.898 -4.931 1.00 0.00 H new ATOM 1049 N GLU A 74 13.098 2.648 -6.149 1.00 0.00 N ATOM 1050 CA GLU A 74 11.724 3.024 -6.447 1.00 0.00 C ATOM 1051 C GLU A 74 10.811 2.326 -5.462 1.00 0.00 C ATOM 1052 O GLU A 74 11.163 1.262 -4.944 1.00 0.00 O ATOM 1053 CB GLU A 74 11.277 2.631 -7.866 1.00 0.00 C ATOM 1054 CG GLU A 74 12.050 3.393 -8.938 1.00 0.00 C ATOM 1055 CD GLU A 74 11.540 3.101 -10.341 1.00 0.00 C ATOM 1056 OE1 GLU A 74 12.016 2.113 -10.940 1.00 0.00 O ATOM 1057 OE2 GLU A 74 10.732 3.893 -10.882 1.00 0.00 O ATOM 0 H GLU A 74 13.184 1.714 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 74 11.668 4.110 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.420 1.560 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.211 2.828 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.976 4.463 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.106 3.130 -8.876 1.00 0.00 H new ATOM 1064 N PHE A 75 9.623 2.895 -5.293 1.00 0.00 N ATOM 1065 CA PHE A 75 8.432 2.263 -4.762 1.00 0.00 C ATOM 1066 C PHE A 75 7.262 2.824 -5.560 1.00 0.00 C ATOM 1067 O PHE A 75 7.341 3.935 -6.089 1.00 0.00 O ATOM 1068 CB PHE A 75 8.268 2.596 -3.268 1.00 0.00 C ATOM 1069 CG PHE A 75 8.165 1.427 -2.304 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.896 0.243 -2.519 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.381 1.548 -1.138 1.00 0.00 C ATOM 1072 CE1 PHE A 75 8.815 -0.826 -1.614 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.322 0.480 -0.228 1.00 0.00 C ATOM 1074 CZ PHE A 75 8.030 -0.709 -0.458 1.00 0.00 C ATOM 0 H PHE A 75 9.461 3.871 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 75 8.488 1.178 -4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.115 3.211 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.373 3.208 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.527 0.157 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.829 2.456 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.358 -1.740 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.721 0.576 0.664 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.971 -1.525 0.247 1.00 0.00 H new ATOM 1084 N ALA A 76 6.153 2.095 -5.598 1.00 0.00 N ATOM 1085 CA ALA A 76 4.889 2.646 -6.032 1.00 0.00 C ATOM 1086 C ALA A 76 3.811 2.084 -5.131 1.00 0.00 C ATOM 1087 O ALA A 76 3.860 0.914 -4.732 1.00 0.00 O ATOM 1088 CB ALA A 76 4.620 2.325 -7.502 1.00 0.00 C ATOM 0 H ALA A 76 6.111 1.112 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 76 4.905 3.733 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.662 2.753 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.413 2.749 -8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.593 1.244 -7.639 1.00 0.00 H new ATOM 1094 N VAL A 77 2.827 2.923 -4.845 1.00 0.00 N ATOM 1095 CA VAL A 77 1.648 2.576 -4.089 1.00 0.00 C ATOM 1096 C VAL A 77 0.515 3.085 -4.970 1.00 0.00 C ATOM 1097 O VAL A 77 0.132 4.254 -4.951 1.00 0.00 O ATOM 1098 CB VAL A 77 1.760 3.102 -2.640 1.00 0.00 C ATOM 1099 CG1 VAL A 77 0.479 2.853 -1.841 1.00 0.00 C ATOM 1100 CG2 VAL A 77 2.922 2.432 -1.889 1.00 0.00 C ATOM 0 H VAL A 77 2.834 3.897 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 77 1.479 1.516 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 77 1.936 4.175 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.601 3.238 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.356 3.361 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.278 1.782 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.973 2.824 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.760 1.355 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.858 2.641 -2.406 1.00 0.00 H new ATOM 1110 N SER A 78 0.055 2.187 -5.834 1.00 0.00 N ATOM 1111 CA SER A 78 -1.055 2.364 -6.749 1.00 0.00 C ATOM 1112 C SER A 78 -2.010 1.204 -6.457 1.00 0.00 C ATOM 1113 O SER A 78 -1.632 0.209 -5.826 1.00 0.00 O ATOM 1114 CB SER A 78 -0.497 2.410 -8.181 1.00 0.00 C ATOM 1115 OG SER A 78 -1.473 2.185 -9.176 1.00 0.00 O ATOM 0 H SER A 78 0.476 1.262 -5.915 1.00 0.00 H new ATOM 0 HA SER A 78 -1.608 3.296 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.035 3.382 -8.351 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.289 1.662 -8.280 1.00 0.00 H new ATOM 0 HG SER A 78 -1.054 2.229 -10.061 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.265 1.345 -6.861 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.342 0.489 -6.402 1.00 0.00 C ATOM 1123 C GLY A 79 -5.551 1.357 -6.112 1.00 0.00 C ATOM 1124 O GLY A 79 -5.726 2.412 -6.731 1.00 0.00 O ATOM 0 H GLY A 79 -3.563 2.063 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.583 -0.257 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.040 -0.053 -5.506 1.00 0.00 H new ATOM 1128 N GLY A 80 -6.396 0.907 -5.196 1.00 0.00 N ATOM 1129 CA GLY A 80 -7.719 1.458 -4.980 1.00 0.00 C ATOM 1130 C GLY A 80 -8.686 0.298 -4.825 1.00 0.00 C ATOM 1131 O GLY A 80 -8.285 -0.862 -4.654 1.00 0.00 O ATOM 0 H GLY A 80 -6.173 0.132 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.730 2.086 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.011 2.089 -5.819 1.00 0.00 H new ATOM 1135 N VAL A 81 -9.969 0.613 -4.922 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.039 -0.353 -4.853 1.00 0.00 C ATOM 1137 C VAL A 81 -12.180 0.096 -5.759 1.00 0.00 C ATOM 1138 O VAL A 81 -12.254 1.260 -6.169 1.00 0.00 O ATOM 1139 CB VAL A 81 -11.419 -0.511 -3.369 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -11.982 0.753 -2.711 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -12.376 -1.666 -3.140 1.00 0.00 C ATOM 0 H VAL A 81 -10.295 1.570 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.749 -1.337 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.466 -0.722 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.220 0.545 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.241 1.551 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.886 1.064 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.614 -1.736 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -13.292 -1.498 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.911 -2.595 -3.470 1.00 0.00 H new ATOM 1151 N VAL A 82 -13.083 -0.827 -6.066 1.00 0.00 N ATOM 1152 CA VAL A 82 -14.356 -0.535 -6.697 1.00 0.00 C ATOM 1153 C VAL A 82 -15.403 -1.321 -5.907 1.00 0.00 C ATOM 1154 O VAL A 82 -15.064 -2.292 -5.224 1.00 0.00 O ATOM 1155 CB VAL A 82 -14.245 -0.812 -8.219 1.00 0.00 C ATOM 1156 CG1 VAL A 82 -13.571 -2.140 -8.600 1.00 0.00 C ATOM 1157 CG2 VAL A 82 -15.585 -0.756 -8.958 1.00 0.00 C ATOM 0 H VAL A 82 -12.944 -1.820 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.665 0.510 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.602 0.009 -8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.544 -2.236 -9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.554 -2.157 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -14.137 -2.970 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -15.425 -0.960 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -16.261 -1.503 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -16.024 0.235 -8.842 1.00 0.00 H new ATOM 1167 N ASP A 83 -16.662 -0.885 -5.933 1.00 0.00 N ATOM 1168 CA ASP A 83 -17.734 -1.644 -5.312 1.00 0.00 C ATOM 1169 C ASP A 83 -18.241 -2.668 -6.330 1.00 0.00 C ATOM 1170 O ASP A 83 -18.521 -2.320 -7.482 1.00 0.00 O ATOM 1171 CB ASP A 83 -18.834 -0.694 -4.833 1.00 0.00 C ATOM 1172 CG ASP A 83 -19.847 -1.395 -3.927 1.00 0.00 C ATOM 1173 OD1 ASP A 83 -19.610 -2.561 -3.531 1.00 0.00 O ATOM 1174 OD2 ASP A 83 -20.829 -0.740 -3.523 1.00 0.00 O ATOM 0 H ASP A 83 -16.958 -0.015 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 83 -17.381 -2.180 -4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -18.383 0.140 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -19.350 -0.274 -5.696 1.00 0.00 H new ATOM 1179 N GLY A 84 -18.295 -3.941 -5.949 1.00 0.00 N ATOM 1180 CA GLY A 84 -18.871 -5.038 -6.715 1.00 0.00 C ATOM 1181 C GLY A 84 -20.316 -5.345 -6.319 1.00 0.00 C ATOM 1182 O GLY A 84 -20.900 -6.294 -6.850 1.00 0.00 O ATOM 0 H GLY A 84 -17.919 -4.249 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -18.835 -4.792 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.263 -5.932 -6.574 1.00 0.00 H new ATOM 1186 N GLU A 85 -20.892 -4.564 -5.407 1.00 0.00 N ATOM 1187 CA GLU A 85 -22.221 -4.727 -4.838 1.00 0.00 C ATOM 1188 C GLU A 85 -23.046 -3.465 -5.110 1.00 0.00 C ATOM 1189 O GLU A 85 -22.524 -2.479 -5.643 1.00 0.00 O ATOM 1190 CB GLU A 85 -22.063 -4.993 -3.332 1.00 0.00 C ATOM 1191 CG GLU A 85 -21.478 -6.385 -3.047 1.00 0.00 C ATOM 1192 CD GLU A 85 -22.561 -7.403 -2.695 1.00 0.00 C ATOM 1193 OE1 GLU A 85 -23.578 -7.501 -3.423 1.00 0.00 O ATOM 1194 OE2 GLU A 85 -22.378 -8.162 -1.715 1.00 0.00 O ATOM 0 H GLU A 85 -20.410 -3.751 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.747 -5.567 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.415 -4.232 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.034 -4.902 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.926 -6.731 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.765 -6.317 -2.226 1.00 0.00 H new ATOM 1201 N ASP A 86 -24.338 -3.513 -4.784 1.00 0.00 N ATOM 1202 CA ASP A 86 -25.276 -2.394 -4.731 1.00 0.00 C ATOM 1203 C ASP A 86 -26.602 -2.974 -4.244 1.00 0.00 C ATOM 1204 O ASP A 86 -27.303 -3.652 -5.002 1.00 0.00 O ATOM 1205 CB ASP A 86 -25.480 -1.692 -6.082 1.00 0.00 C ATOM 1206 CG ASP A 86 -26.551 -0.609 -5.952 1.00 0.00 C ATOM 1207 OD1 ASP A 86 -26.354 0.348 -5.168 1.00 0.00 O ATOM 1208 OD2 ASP A 86 -27.562 -0.671 -6.684 1.00 0.00 O ATOM 0 H ASP A 86 -24.786 -4.395 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 86 -24.876 -1.628 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -24.542 -1.249 -6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -25.776 -2.419 -6.838 1.00 0.00 H new ATOM 1213 N GLY A 87 -26.910 -2.789 -2.964 1.00 0.00 N ATOM 1214 CA GLY A 87 -28.102 -3.303 -2.308 1.00 0.00 C ATOM 1215 C GLY A 87 -27.822 -3.692 -0.860 1.00 0.00 C ATOM 1216 O GLY A 87 -28.670 -3.457 0.004 1.00 0.00 O ATOM 0 H GLY A 87 -26.311 -2.256 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -28.888 -2.549 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -28.473 -4.171 -2.853 1.00 0.00 H new ATOM 1220 N VAL A 88 -26.656 -4.274 -0.565 1.00 0.00 N ATOM 1221 CA VAL A 88 -26.258 -4.611 0.800 1.00 0.00 C ATOM 1222 C VAL A 88 -25.695 -3.358 1.485 1.00 0.00 C ATOM 1223 O VAL A 88 -24.487 -3.129 1.532 1.00 0.00 O ATOM 1224 CB VAL A 88 -25.386 -5.881 0.833 1.00 0.00 C ATOM 1225 CG1 VAL A 88 -24.151 -5.813 -0.056 1.00 0.00 C ATOM 1226 CG2 VAL A 88 -24.967 -6.242 2.260 1.00 0.00 C ATOM 0 H VAL A 88 -25.962 -4.524 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 88 -27.116 -4.901 1.406 1.00 0.00 H new ATOM 0 HB VAL A 88 -26.027 -6.664 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -23.593 -6.746 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -24.456 -5.661 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -23.519 -4.983 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -24.354 -7.143 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -24.393 -5.421 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -25.855 -6.420 2.866 1.00 0.00 H new ATOM 1236 N VAL A 89 -26.594 -2.522 2.011 1.00 0.00 N ATOM 1237 CA VAL A 89 -26.273 -1.256 2.659 1.00 0.00 C ATOM 1238 C VAL A 89 -25.379 -1.513 3.881 1.00 0.00 C ATOM 1239 O VAL A 89 -25.874 -1.847 4.965 1.00 0.00 O ATOM 1240 CB VAL A 89 -27.567 -0.475 2.989 1.00 0.00 C ATOM 1241 CG1 VAL A 89 -27.235 0.960 3.418 1.00 0.00 C ATOM 1242 CG2 VAL A 89 -28.532 -0.410 1.792 1.00 0.00 C ATOM 0 H VAL A 89 -27.595 -2.717 1.995 1.00 0.00 H new ATOM 0 HA VAL A 89 -25.704 -0.619 1.982 1.00 0.00 H new ATOM 0 HB VAL A 89 -28.053 -1.015 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -28.157 1.494 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -26.600 0.937 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -26.711 1.470 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -29.425 0.148 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -28.042 0.088 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -28.814 -1.421 1.497 1.00 0.00 H new ATOM 1252 N ASN A 90 -24.063 -1.391 3.704 1.00 0.00 N ATOM 1253 CA ASN A 90 -23.027 -1.713 4.685 1.00 0.00 C ATOM 1254 C ASN A 90 -22.416 -0.408 5.212 1.00 0.00 C ATOM 1255 O ASN A 90 -23.126 0.600 5.255 1.00 0.00 O ATOM 1256 CB ASN A 90 -22.037 -2.758 4.153 1.00 0.00 C ATOM 1257 CG ASN A 90 -21.209 -2.286 2.975 1.00 0.00 C ATOM 1258 OD1 ASN A 90 -20.047 -1.952 3.118 1.00 0.00 O ATOM 1259 ND2 ASN A 90 -21.812 -2.247 1.803 1.00 0.00 N ATOM 0 H ASN A 90 -23.671 -1.047 2.827 1.00 0.00 H new ATOM 0 HA ASN A 90 -23.458 -2.214 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -21.366 -3.050 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -22.590 -3.650 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -21.303 -1.929 0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -22.787 -2.535 1.721 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.193 -0.391 5.743 1.00 0.00 N ATOM 1267 CA GLU A 91 -20.564 0.842 6.222 1.00 0.00 C ATOM 1268 C GLU A 91 -19.629 1.444 5.169 1.00 0.00 C ATOM 1269 O GLU A 91 -19.243 0.777 4.212 1.00 0.00 O ATOM 1270 CB GLU A 91 -19.798 0.592 7.534 1.00 0.00 C ATOM 1271 CG GLU A 91 -20.649 0.844 8.781 1.00 0.00 C ATOM 1272 CD GLU A 91 -19.765 1.260 9.964 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -18.722 0.608 10.214 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -20.046 2.300 10.605 1.00 0.00 O ATOM 0 H GLU A 91 -20.614 -1.223 5.853 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.361 1.560 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.439 -0.437 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.920 1.237 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.382 1.624 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.206 -0.058 9.036 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.233 2.715 5.337 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.118 3.274 4.598 1.00 0.00 C ATOM 1283 C PRO A 92 -16.758 2.734 5.067 1.00 0.00 C ATOM 1284 O PRO A 92 -16.687 1.979 6.039 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.261 4.784 4.741 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.059 4.990 6.024 1.00 0.00 C ATOM 1287 CD PRO A 92 -19.892 3.721 6.156 1.00 0.00 C ATOM 0 HA PRO A 92 -18.144 2.981 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.286 5.268 4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.777 5.214 3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.403 5.126 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.691 5.876 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -19.949 3.400 7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -20.914 3.890 5.818 1.00 0.00 H new ATOM 1295 N MET A 93 -15.670 3.115 4.386 1.00 0.00 N ATOM 1296 CA MET A 93 -14.328 2.600 4.571 1.00 0.00 C ATOM 1297 C MET A 93 -13.348 3.675 4.110 1.00 0.00 C ATOM 1298 O MET A 93 -13.752 4.769 3.699 1.00 0.00 O ATOM 1299 CB MET A 93 -14.137 1.273 3.804 1.00 0.00 C ATOM 1300 CG MET A 93 -13.827 1.358 2.297 1.00 0.00 C ATOM 1301 SD MET A 93 -12.821 -0.015 1.657 1.00 0.00 S ATOM 1302 CE MET A 93 -11.258 0.200 2.564 1.00 0.00 C ATOM 0 H MET A 93 -15.715 3.827 3.657 1.00 0.00 H new ATOM 0 HA MET A 93 -14.146 2.372 5.621 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.328 0.722 4.283 1.00 0.00 H new ATOM 0 HB3 MET A 93 -15.043 0.680 3.928 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.767 1.390 1.747 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.308 2.296 2.098 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.567 -0.597 2.292 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.819 1.164 2.308 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.451 0.162 3.636 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.055 3.393 4.184 1.00 0.00 N ATOM 1313 CA GLN A 94 -10.984 4.219 3.638 1.00 0.00 C ATOM 1314 C GLN A 94 -9.698 3.401 3.706 1.00 0.00 C ATOM 1315 O GLN A 94 -9.612 2.412 4.443 1.00 0.00 O ATOM 1316 CB GLN A 94 -10.815 5.536 4.433 1.00 0.00 C ATOM 1317 CG GLN A 94 -10.972 5.316 5.934 1.00 0.00 C ATOM 1318 CD GLN A 94 -10.522 6.473 6.822 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -10.586 7.646 6.471 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -10.022 6.167 8.010 1.00 0.00 N ATOM 0 H GLN A 94 -11.709 2.551 4.643 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.224 4.496 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.832 5.960 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -11.553 6.263 4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.021 5.107 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -10.407 4.426 6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.968 5.192 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.692 6.906 8.630 1.00 0.00 H new ATOM 1329 N TRP A 95 -8.675 3.858 2.994 1.00 0.00 N ATOM 1330 CA TRP A 95 -7.296 3.452 3.201 1.00 0.00 C ATOM 1331 C TRP A 95 -6.585 4.580 3.918 1.00 0.00 C ATOM 1332 O TRP A 95 -6.839 5.759 3.672 1.00 0.00 O ATOM 1333 CB TRP A 95 -6.633 3.147 1.856 1.00 0.00 C ATOM 1334 CG TRP A 95 -6.979 1.826 1.243 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -7.880 0.946 1.738 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -6.296 1.117 0.159 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -7.861 -0.203 0.989 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -6.852 -0.192 0.067 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -5.192 1.390 -0.679 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -6.360 -1.175 -0.794 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -4.677 0.401 -1.542 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -5.273 -0.866 -1.615 1.00 0.00 C ATOM 0 H TRP A 95 -8.787 4.536 2.240 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.245 2.545 3.803 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.903 3.934 1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -5.552 3.193 1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.517 1.122 2.592 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.520 -0.973 1.106 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.736 2.369 -0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.811 -2.156 -0.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.814 0.622 -2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.892 -1.603 -2.306 1.00 0.00 H new ATOM 1353 N VAL A 96 -5.674 4.201 4.794 1.00 0.00 N ATOM 1354 CA VAL A 96 -4.818 5.062 5.573 1.00 0.00 C ATOM 1355 C VAL A 96 -3.443 4.464 5.283 1.00 0.00 C ATOM 1356 O VAL A 96 -2.950 3.602 6.012 1.00 0.00 O ATOM 1357 CB VAL A 96 -5.307 5.044 7.044 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -4.422 5.850 8.003 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -6.743 5.589 7.167 1.00 0.00 C ATOM 0 H VAL A 96 -5.504 3.215 4.990 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.809 6.127 5.340 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.260 3.994 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.829 5.789 9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.411 5.443 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.396 6.892 7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.054 5.562 8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.774 6.617 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.418 4.974 6.571 1.00 0.00 H new ATOM 1369 N VAL A 97 -2.885 4.799 4.113 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.563 4.340 3.740 1.00 0.00 C ATOM 1371 C VAL A 97 -0.553 5.288 4.365 1.00 0.00 C ATOM 1372 O VAL A 97 -0.761 6.502 4.448 1.00 0.00 O ATOM 1373 CB VAL A 97 -1.389 4.213 2.214 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -2.225 3.072 1.638 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -1.717 5.475 1.417 1.00 0.00 C ATOM 0 H VAL A 97 -3.338 5.388 3.415 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.404 3.330 4.118 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.323 4.017 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.073 3.018 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.920 2.131 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.280 3.252 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.564 5.285 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.756 5.754 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.065 6.288 1.738 1.00 0.00 H new ATOM 1385 N THR A 98 0.567 4.726 4.770 1.00 0.00 N ATOM 1386 CA THR A 98 1.683 5.451 5.324 1.00 0.00 C ATOM 1387 C THR A 98 2.903 4.898 4.617 1.00 0.00 C ATOM 1388 O THR A 98 2.974 3.695 4.333 1.00 0.00 O ATOM 1389 CB THR A 98 1.778 5.196 6.831 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.512 5.031 7.450 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.601 6.275 7.517 1.00 0.00 C ATOM 0 H THR A 98 0.727 3.720 4.719 1.00 0.00 H new ATOM 0 HA THR A 98 1.586 6.528 5.186 1.00 0.00 H new ATOM 0 HB THR A 98 2.295 4.244 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.635 4.870 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.652 6.069 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.608 6.284 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.133 7.246 7.357 1.00 0.00 H new ATOM 1399 N VAL A 99 3.865 5.762 4.327 1.00 0.00 N ATOM 1400 CA VAL A 99 5.065 5.365 3.618 1.00 0.00 C ATOM 1401 C VAL A 99 6.245 5.850 4.450 1.00 0.00 C ATOM 1402 O VAL A 99 6.275 7.015 4.863 1.00 0.00 O ATOM 1403 CB VAL A 99 5.023 5.928 2.186 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.184 5.406 1.362 1.00 0.00 C ATOM 1405 CG2 VAL A 99 3.736 5.565 1.415 1.00 0.00 C ATOM 0 H VAL A 99 3.833 6.751 4.576 1.00 0.00 H new ATOM 0 HA VAL A 99 5.156 4.285 3.499 1.00 0.00 H new ATOM 0 HB VAL A 99 5.070 7.009 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.130 5.819 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.124 5.705 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.134 4.318 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.777 5.996 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.650 4.481 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.870 5.962 1.945 1.00 0.00 H new ATOM 1415 N TYR A 100 7.203 4.957 4.695 1.00 0.00 N ATOM 1416 CA TYR A 100 8.428 5.224 5.424 1.00 0.00 C ATOM 1417 C TYR A 100 9.619 5.008 4.496 1.00 0.00 C ATOM 1418 O TYR A 100 9.625 4.092 3.673 1.00 0.00 O ATOM 1419 CB TYR A 100 8.540 4.310 6.654 1.00 0.00 C ATOM 1420 CG TYR A 100 7.401 4.427 7.649 1.00 0.00 C ATOM 1421 CD1 TYR A 100 7.438 5.413 8.653 1.00 0.00 C ATOM 1422 CD2 TYR A 100 6.314 3.535 7.586 1.00 0.00 C ATOM 1423 CE1 TYR A 100 6.375 5.543 9.564 1.00 0.00 C ATOM 1424 CE2 TYR A 100 5.269 3.636 8.517 1.00 0.00 C ATOM 1425 CZ TYR A 100 5.286 4.648 9.497 1.00 0.00 C ATOM 1426 OH TYR A 100 4.295 4.685 10.425 1.00 0.00 O ATOM 0 H TYR A 100 7.138 3.991 4.375 1.00 0.00 H new ATOM 0 HA TYR A 100 8.418 6.257 5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.600 3.276 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.475 4.532 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.289 6.074 8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.284 2.773 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.392 6.323 10.311 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.448 2.935 8.482 1.00 0.00 H new ATOM 0 HH TYR A 100 3.628 3.997 10.219 1.00 0.00 H new ATOM 1436 N LYS A 101 10.643 5.844 4.635 1.00 0.00 N ATOM 1437 CA LYS A 101 11.973 5.590 4.096 1.00 0.00 C ATOM 1438 C LYS A 101 12.736 4.690 5.082 1.00 0.00 C ATOM 1439 O LYS A 101 12.128 4.078 5.962 1.00 0.00 O ATOM 1440 CB LYS A 101 12.647 6.931 3.763 1.00 0.00 C ATOM 1441 CG LYS A 101 13.592 6.709 2.576 1.00 0.00 C ATOM 1442 CD LYS A 101 13.944 7.971 1.804 1.00 0.00 C ATOM 1443 CE LYS A 101 15.001 8.779 2.560 1.00 0.00 C ATOM 1444 NZ LYS A 101 15.493 9.944 1.801 1.00 0.00 N ATOM 0 H LYS A 101 10.570 6.731 5.133 1.00 0.00 H new ATOM 0 HA LYS A 101 11.947 5.043 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.897 7.683 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.200 7.303 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.512 6.253 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.133 5.996 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.317 7.708 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.050 8.577 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.580 9.121 3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.842 8.129 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.205 10.450 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.922 9.622 0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.699 10.583 1.592 1.00 0.00 H new ATOM 1458 N ASN A 102 14.067 4.633 4.966 1.00 0.00 N ATOM 1459 CA ASN A 102 15.018 4.062 5.921 1.00 0.00 C ATOM 1460 C ASN A 102 14.895 4.778 7.282 1.00 0.00 C ATOM 1461 O ASN A 102 15.714 5.619 7.639 1.00 0.00 O ATOM 1462 CB ASN A 102 16.459 4.064 5.357 1.00 0.00 C ATOM 1463 CG ASN A 102 17.056 5.408 4.955 1.00 0.00 C ATOM 1464 OD1 ASN A 102 17.724 6.105 5.714 1.00 0.00 O ATOM 1465 ND2 ASN A 102 16.877 5.778 3.699 1.00 0.00 N ATOM 0 H ASN A 102 14.539 5.011 4.145 1.00 0.00 H new ATOM 0 HA ASN A 102 14.771 3.013 6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 102 17.113 3.615 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.479 3.412 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 102 17.294 6.644 3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 102 16.322 5.197 3.070 1.00 0.00 H new ATOM 1472 N GLY A 103 13.834 4.498 8.036 1.00 0.00 N ATOM 1473 CA GLY A 103 13.625 4.985 9.397 1.00 0.00 C ATOM 1474 C GLY A 103 13.161 6.444 9.490 1.00 0.00 C ATOM 1475 O GLY A 103 13.629 7.169 10.368 1.00 0.00 O ATOM 0 H GLY A 103 13.072 3.907 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.886 4.351 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.556 4.877 9.954 1.00 0.00 H new ATOM 1479 N LYS A 104 12.261 6.895 8.606 1.00 0.00 N ATOM 1480 CA LYS A 104 11.521 8.159 8.714 1.00 0.00 C ATOM 1481 C LYS A 104 10.197 7.986 7.983 1.00 0.00 C ATOM 1482 O LYS A 104 10.175 7.268 6.987 1.00 0.00 O ATOM 1483 CB LYS A 104 12.304 9.312 8.051 1.00 0.00 C ATOM 1484 CG LYS A 104 12.969 10.257 9.059 1.00 0.00 C ATOM 1485 CD LYS A 104 11.964 11.120 9.835 1.00 0.00 C ATOM 1486 CE LYS A 104 11.404 12.266 8.981 1.00 0.00 C ATOM 1487 NZ LYS A 104 12.334 13.411 8.903 1.00 0.00 N ATOM 0 H LYS A 104 12.020 6.370 7.765 1.00 0.00 H new ATOM 0 HA LYS A 104 11.370 8.402 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.069 8.893 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.626 9.886 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.555 9.669 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.666 10.908 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.143 10.494 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.449 11.532 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.197 11.900 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.455 12.599 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.914 14.160 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.513 13.779 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.231 13.101 8.478 1.00 0.00 H new ATOM 1501 N GLU A 105 9.123 8.654 8.405 1.00 0.00 N ATOM 1502 CA GLU A 105 7.886 8.718 7.621 1.00 0.00 C ATOM 1503 C GLU A 105 8.104 9.741 6.498 1.00 0.00 C ATOM 1504 O GLU A 105 8.829 10.723 6.698 1.00 0.00 O ATOM 1505 CB GLU A 105 6.707 9.103 8.537 1.00 0.00 C ATOM 1506 CG GLU A 105 5.344 8.639 8.000 1.00 0.00 C ATOM 1507 CD GLU A 105 4.185 9.174 8.856 1.00 0.00 C ATOM 1508 OE1 GLU A 105 3.929 10.399 8.795 1.00 0.00 O ATOM 1509 OE2 GLU A 105 3.551 8.399 9.608 1.00 0.00 O ATOM 0 H GLU A 105 9.084 9.161 9.289 1.00 0.00 H new ATOM 0 HA GLU A 105 7.641 7.751 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.867 8.671 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.691 10.186 8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.223 8.978 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.311 7.550 7.983 1.00 0.00 H new ATOM 1516 N ILE A 106 7.502 9.530 5.326 1.00 0.00 N ATOM 1517 CA ILE A 106 7.552 10.445 4.182 1.00 0.00 C ATOM 1518 C ILE A 106 6.160 10.701 3.583 1.00 0.00 C ATOM 1519 O ILE A 106 5.940 11.767 3.001 1.00 0.00 O ATOM 1520 CB ILE A 106 8.569 9.949 3.124 1.00 0.00 C ATOM 1521 CG1 ILE A 106 8.247 8.522 2.623 1.00 0.00 C ATOM 1522 CG2 ILE A 106 10.003 10.041 3.686 1.00 0.00 C ATOM 1523 CD1 ILE A 106 9.158 8.048 1.489 1.00 0.00 C ATOM 0 H ILE A 106 6.949 8.693 5.140 1.00 0.00 H new ATOM 0 HA ILE A 106 7.904 11.411 4.545 1.00 0.00 H new ATOM 0 HB ILE A 106 8.491 10.602 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.329 7.826 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.212 8.491 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.711 9.690 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.228 11.077 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.084 9.421 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.872 7.039 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.059 8.721 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 106 10.193 8.046 1.831 1.00 0.00 H new ATOM 1535 N GLU A 107 5.178 9.817 3.798 1.00 0.00 N ATOM 1536 CA GLU A 107 3.803 10.010 3.328 1.00 0.00 C ATOM 1537 C GLU A 107 2.844 9.585 4.433 1.00 0.00 C ATOM 1538 O GLU A 107 3.154 8.643 5.168 1.00 0.00 O ATOM 1539 CB GLU A 107 3.566 9.140 2.085 1.00 0.00 C ATOM 1540 CG GLU A 107 2.440 9.618 1.172 1.00 0.00 C ATOM 1541 CD GLU A 107 2.796 10.951 0.531 1.00 0.00 C ATOM 1542 OE1 GLU A 107 3.789 11.014 -0.226 1.00 0.00 O ATOM 1543 OE2 GLU A 107 2.113 11.948 0.847 1.00 0.00 O ATOM 0 H GLU A 107 5.317 8.943 4.306 1.00 0.00 H new ATOM 0 HA GLU A 107 3.638 11.057 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.489 9.098 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.345 8.123 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.253 8.875 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.518 9.719 1.745 1.00 0.00 H new ATOM 1550 N LYS A 108 1.694 10.252 4.544 1.00 0.00 N ATOM 1551 CA LYS A 108 0.649 9.946 5.521 1.00 0.00 C ATOM 1552 C LYS A 108 -0.740 10.137 4.902 1.00 0.00 C ATOM 1553 O LYS A 108 -1.689 10.525 5.586 1.00 0.00 O ATOM 1554 CB LYS A 108 0.854 10.831 6.765 1.00 0.00 C ATOM 1555 CG LYS A 108 0.327 10.125 8.013 1.00 0.00 C ATOM 1556 CD LYS A 108 0.358 11.033 9.243 1.00 0.00 C ATOM 1557 CE LYS A 108 0.302 10.139 10.483 1.00 0.00 C ATOM 1558 NZ LYS A 108 0.234 10.905 11.733 1.00 0.00 N ATOM 0 H LYS A 108 1.458 11.040 3.941 1.00 0.00 H new ATOM 0 HA LYS A 108 0.717 8.901 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.913 11.058 6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.338 11.782 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.695 9.790 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.925 9.234 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.264 11.638 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.486 11.723 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.567 9.485 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.183 9.497 10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.198 10.250 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.076 11.510 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.620 11.498 11.730 1.00 0.00 H new ATOM 1572 N LYS A 109 -0.849 9.982 3.580 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.079 10.328 2.883 1.00 0.00 C ATOM 1574 C LYS A 109 -3.096 9.211 3.027 1.00 0.00 C ATOM 1575 O LYS A 109 -2.820 8.059 2.695 1.00 0.00 O ATOM 1576 CB LYS A 109 -1.821 10.686 1.419 1.00 0.00 C ATOM 1577 CG LYS A 109 -3.156 11.028 0.746 1.00 0.00 C ATOM 1578 CD LYS A 109 -3.028 11.657 -0.626 1.00 0.00 C ATOM 1579 CE LYS A 109 -2.854 10.631 -1.744 1.00 0.00 C ATOM 1580 NZ LYS A 109 -3.087 11.238 -3.068 1.00 0.00 N ATOM 0 H LYS A 109 -0.106 9.623 2.981 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.495 11.223 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.138 11.533 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.344 9.851 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.748 10.117 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.710 11.708 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.915 12.258 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.176 12.336 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.848 10.214 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.548 9.804 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.962 10.517 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.056 11.614 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.408 12.011 -3.220 1.00 0.00 H new ATOM 1594 N SER A 110 -4.306 9.591 3.390 1.00 0.00 N ATOM 1595 CA SER A 110 -5.450 8.730 3.547 1.00 0.00 C ATOM 1596 C SER A 110 -6.412 8.959 2.376 1.00 0.00 C ATOM 1597 O SER A 110 -6.254 9.911 1.602 1.00 0.00 O ATOM 1598 CB SER A 110 -6.064 9.001 4.925 1.00 0.00 C ATOM 1599 OG SER A 110 -5.938 10.345 5.370 1.00 0.00 O ATOM 0 H SER A 110 -4.523 10.567 3.594 1.00 0.00 H new ATOM 0 HA SER A 110 -5.182 7.674 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.121 8.738 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.592 8.344 5.655 1.00 0.00 H new ATOM 0 HG SER A 110 -6.354 10.438 6.252 1.00 0.00 H new ATOM 1605 N LEU A 111 -7.396 8.076 2.216 1.00 0.00 N ATOM 1606 CA LEU A 111 -8.343 8.055 1.105 1.00 0.00 C ATOM 1607 C LEU A 111 -9.756 8.012 1.687 1.00 0.00 C ATOM 1608 O LEU A 111 -9.918 8.025 2.905 1.00 0.00 O ATOM 1609 CB LEU A 111 -8.083 6.838 0.199 1.00 0.00 C ATOM 1610 CG LEU A 111 -6.636 6.612 -0.283 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -6.562 5.342 -1.134 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -6.068 7.784 -1.091 1.00 0.00 C ATOM 0 H LEU A 111 -7.561 7.325 2.886 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.225 8.948 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.404 5.944 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.721 6.929 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.029 6.517 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.537 5.189 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.880 4.486 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.217 5.445 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.047 7.554 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.683 7.948 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.069 8.684 -0.476 1.00 0.00 H new ATOM 1624 N VAL A 112 -10.789 7.930 0.850 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.173 7.792 1.289 1.00 0.00 C ATOM 1626 C VAL A 112 -12.954 7.035 0.209 1.00 0.00 C ATOM 1627 O VAL A 112 -12.639 7.190 -0.971 1.00 0.00 O ATOM 1628 CB VAL A 112 -12.711 9.210 1.587 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -12.790 10.119 0.349 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.057 9.174 2.320 1.00 0.00 C ATOM 0 H VAL A 112 -10.685 7.958 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.276 7.209 2.204 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.970 9.656 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.176 11.096 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.795 10.235 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.454 9.671 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -14.396 10.193 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -14.792 8.655 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -13.941 8.649 3.268 1.00 0.00 H new ATOM 1640 N PHE A 113 -13.949 6.229 0.595 1.00 0.00 N ATOM 1641 CA PHE A 113 -15.019 5.712 -0.262 1.00 0.00 C ATOM 1642 C PHE A 113 -16.211 5.339 0.632 1.00 0.00 C ATOM 1643 O PHE A 113 -16.091 5.368 1.864 1.00 0.00 O ATOM 1644 CB PHE A 113 -14.548 4.486 -1.078 1.00 0.00 C ATOM 1645 CG PHE A 113 -13.806 4.779 -2.376 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -14.300 5.725 -3.295 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -12.634 4.071 -2.694 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -13.628 5.962 -4.505 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -11.985 4.273 -3.924 1.00 0.00 C ATOM 1650 CZ PHE A 113 -12.480 5.222 -4.831 1.00 0.00 C ATOM 0 H PHE A 113 -14.033 5.905 1.558 1.00 0.00 H new ATOM 0 HA PHE A 113 -15.310 6.479 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -13.900 3.882 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -15.421 3.877 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -15.203 6.272 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -12.228 3.364 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -13.995 6.715 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.105 3.698 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.981 5.383 -5.775 1.00 0.00 H new ATOM 1660 N ARG A 114 -17.358 4.990 0.036 1.00 0.00 N ATOM 1661 CA ARG A 114 -18.500 4.387 0.726 1.00 0.00 C ATOM 1662 C ARG A 114 -19.125 3.269 -0.115 1.00 0.00 C ATOM 1663 O ARG A 114 -18.777 3.085 -1.283 1.00 0.00 O ATOM 1664 CB ARG A 114 -19.597 5.414 1.077 1.00 0.00 C ATOM 1665 CG ARG A 114 -19.146 6.778 1.620 1.00 0.00 C ATOM 1666 CD ARG A 114 -20.171 7.429 2.564 1.00 0.00 C ATOM 1667 NE ARG A 114 -21.540 7.351 2.038 1.00 0.00 N ATOM 1668 CZ ARG A 114 -22.665 7.768 2.624 1.00 0.00 C ATOM 1669 NH1 ARG A 114 -22.671 8.309 3.839 1.00 0.00 N ATOM 1670 NH2 ARG A 114 -23.803 7.629 1.960 1.00 0.00 N ATOM 0 H ARG A 114 -17.519 5.123 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 114 -18.103 3.979 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -20.192 5.589 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -20.258 4.960 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -18.202 6.655 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -18.957 7.450 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -20.129 6.938 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -19.904 8.474 2.722 1.00 0.00 H new ATOM 0 HE ARG A 114 -21.644 6.928 1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -21.797 8.416 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -23.550 8.617 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -23.802 7.213 1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -24.680 7.938 2.380 1.00 0.00 H new ATOM 1684 N ASP A 115 -20.092 2.592 0.495 1.00 0.00 N ATOM 1685 CA ASP A 115 -21.053 1.643 -0.062 1.00 0.00 C ATOM 1686 C ASP A 115 -21.856 2.239 -1.215 1.00 0.00 C ATOM 1687 O ASP A 115 -22.210 3.420 -1.178 1.00 0.00 O ATOM 1688 CB ASP A 115 -22.005 1.204 1.072 1.00 0.00 C ATOM 1689 CG ASP A 115 -22.891 2.337 1.619 1.00 0.00 C ATOM 1690 OD1 ASP A 115 -22.364 3.420 1.972 1.00 0.00 O ATOM 1691 OD2 ASP A 115 -24.124 2.160 1.778 1.00 0.00 O ATOM 0 H ASP A 115 -20.238 2.706 1.498 1.00 0.00 H new ATOM 0 HA ASP A 115 -20.507 0.791 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -22.645 0.401 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -21.414 0.792 1.890 1.00 0.00 H new ATOM 1696 N GLY A 116 -22.184 1.394 -2.196 1.00 0.00 N ATOM 1697 CA GLY A 116 -23.185 1.593 -3.235 1.00 0.00 C ATOM 1698 C GLY A 116 -23.071 2.952 -3.904 1.00 0.00 C ATOM 1699 O GLY A 116 -24.057 3.692 -3.952 1.00 0.00 O ATOM 0 H GLY A 116 -21.721 0.490 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -23.082 0.812 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -24.179 1.488 -2.801 1.00 0.00 H new ATOM 1703 N LYS A 117 -21.877 3.329 -4.376 1.00 0.00 N ATOM 1704 CA LYS A 117 -21.627 4.687 -4.851 1.00 0.00 C ATOM 1705 C LYS A 117 -20.686 4.706 -6.042 1.00 0.00 C ATOM 1706 O LYS A 117 -19.983 3.733 -6.329 1.00 0.00 O ATOM 1707 CB LYS A 117 -21.061 5.539 -3.690 1.00 0.00 C ATOM 1708 CG LYS A 117 -22.138 6.309 -2.915 1.00 0.00 C ATOM 1709 CD LYS A 117 -22.713 7.481 -3.725 1.00 0.00 C ATOM 1710 CE LYS A 117 -23.713 8.239 -2.852 1.00 0.00 C ATOM 1711 NZ LYS A 117 -24.555 9.171 -3.629 1.00 0.00 N ATOM 0 H LYS A 117 -21.070 2.708 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 117 -22.572 5.113 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.524 4.888 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.336 6.248 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -22.944 5.628 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.713 6.687 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -21.912 8.147 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -23.202 7.113 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -24.352 7.524 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -23.172 8.796 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -25.214 9.659 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.951 9.872 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -25.094 8.640 -4.342 1.00 0.00 H new ATOM 1725 N GLU A 118 -20.644 5.868 -6.692 1.00 0.00 N ATOM 1726 CA GLU A 118 -19.574 6.299 -7.576 1.00 0.00 C ATOM 1727 C GLU A 118 -18.211 6.045 -6.931 1.00 0.00 C ATOM 1728 O GLU A 118 -18.047 6.201 -5.720 1.00 0.00 O ATOM 1729 CB GLU A 118 -19.793 7.776 -7.946 1.00 0.00 C ATOM 1730 CG GLU A 118 -19.767 8.736 -6.737 1.00 0.00 C ATOM 1731 CD GLU A 118 -20.510 10.062 -6.960 1.00 0.00 C ATOM 1732 OE1 GLU A 118 -21.479 10.116 -7.753 1.00 0.00 O ATOM 1733 OE2 GLU A 118 -20.232 11.060 -6.249 1.00 0.00 O ATOM 0 H GLU A 118 -21.388 6.561 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 118 -19.589 5.718 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -19.023 8.080 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -20.752 7.874 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -20.205 8.229 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -18.729 8.954 -6.484 1.00 0.00 H new ATOM 1740 N ILE A 119 -17.241 5.661 -7.754 1.00 0.00 N ATOM 1741 CA ILE A 119 -15.822 5.533 -7.463 1.00 0.00 C ATOM 1742 C ILE A 119 -15.118 6.003 -8.735 1.00 0.00 C ATOM 1743 O ILE A 119 -15.770 6.129 -9.779 1.00 0.00 O ATOM 1744 CB ILE A 119 -15.429 4.101 -7.034 1.00 0.00 C ATOM 1745 CG1 ILE A 119 -15.620 3.053 -8.146 1.00 0.00 C ATOM 1746 CG2 ILE A 119 -16.183 3.648 -5.771 1.00 0.00 C ATOM 1747 CD1 ILE A 119 -14.342 2.823 -8.956 1.00 0.00 C ATOM 0 H ILE A 119 -17.447 5.411 -8.721 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.526 6.136 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 119 -14.363 4.160 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.940 2.110 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.417 3.378 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.875 2.636 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.953 4.324 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.256 3.662 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.529 2.076 -9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.035 3.758 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.550 2.471 -8.294 1.00 0.00 H new ATOM 1759 N SER A 120 -13.814 6.238 -8.676 1.00 0.00 N ATOM 1760 CA SER A 120 -12.999 6.454 -9.854 1.00 0.00 C ATOM 1761 C SER A 120 -11.751 5.598 -9.705 1.00 0.00 C ATOM 1762 O SER A 120 -11.281 5.356 -8.592 1.00 0.00 O ATOM 1763 CB SER A 120 -12.654 7.939 -9.977 1.00 0.00 C ATOM 1764 OG SER A 120 -13.673 8.667 -10.646 1.00 0.00 O ATOM 0 H SER A 120 -13.292 6.284 -7.801 1.00 0.00 H new ATOM 0 HA SER A 120 -13.529 6.171 -10.764 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.501 8.359 -8.983 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.714 8.050 -10.518 1.00 0.00 H new ATOM 0 HG SER A 120 -13.417 9.611 -10.703 1.00 0.00 H new ATOM 1770 N THR A 121 -11.206 5.161 -10.832 1.00 0.00 N ATOM 1771 CA THR A 121 -9.896 4.546 -10.950 1.00 0.00 C ATOM 1772 C THR A 121 -8.831 5.654 -10.860 1.00 0.00 C ATOM 1773 O THR A 121 -8.059 5.900 -11.796 1.00 0.00 O ATOM 1774 CB THR A 121 -9.868 3.697 -12.241 1.00 0.00 C ATOM 1775 OG1 THR A 121 -10.751 4.181 -13.244 1.00 0.00 O ATOM 1776 CG2 THR A 121 -10.292 2.255 -11.946 1.00 0.00 C ATOM 0 H THR A 121 -11.689 5.230 -11.728 1.00 0.00 H new ATOM 0 HA THR A 121 -9.672 3.853 -10.139 1.00 0.00 H new ATOM 0 HB THR A 121 -8.841 3.755 -12.602 1.00 0.00 H new ATOM 0 HG1 THR A 121 -10.691 3.608 -14.037 1.00 0.00 H new ATOM 0 HG21 THR A 121 -10.266 1.673 -12.867 1.00 0.00 H new ATOM 0 HG22 THR A 121 -9.608 1.816 -11.220 1.00 0.00 H new ATOM 0 HG23 THR A 121 -11.304 2.249 -11.541 1.00 0.00 H new ATOM 1784 N ASP A 122 -8.828 6.377 -9.739 1.00 0.00 N ATOM 1785 CA ASP A 122 -7.948 7.505 -9.462 1.00 0.00 C ATOM 1786 C ASP A 122 -7.491 7.593 -8.008 1.00 0.00 C ATOM 1787 O ASP A 122 -6.703 8.486 -7.685 1.00 0.00 O ATOM 1788 CB ASP A 122 -8.598 8.829 -9.905 1.00 0.00 C ATOM 1789 CG ASP A 122 -9.775 9.339 -9.063 1.00 0.00 C ATOM 1790 OD1 ASP A 122 -10.083 8.811 -7.974 1.00 0.00 O ATOM 1791 OD2 ASP A 122 -10.466 10.259 -9.552 1.00 0.00 O ATOM 0 H ASP A 122 -9.467 6.181 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.048 7.327 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.827 9.600 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.942 8.711 -10.933 1.00 0.00 H new ATOM 1796 N ASP A 123 -7.948 6.674 -7.153 1.00 0.00 N ATOM 1797 CA ASP A 123 -7.911 6.819 -5.701 1.00 0.00 C ATOM 1798 C ASP A 123 -6.484 6.871 -5.171 1.00 0.00 C ATOM 1799 O ASP A 123 -6.185 7.636 -4.257 1.00 0.00 O ATOM 1800 CB ASP A 123 -8.658 5.651 -5.033 1.00 0.00 C ATOM 1801 CG ASP A 123 -9.027 5.940 -3.573 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -9.260 7.118 -3.208 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -9.162 4.963 -2.806 1.00 0.00 O ATOM 0 H ASP A 123 -8.361 5.793 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.399 7.763 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.566 5.436 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.037 4.756 -5.076 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.578 6.076 -5.752 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.244 5.859 -5.213 1.00 0.00 C ATOM 1810 C LEU A 124 -3.212 6.144 -6.296 1.00 0.00 C ATOM 1811 O LEU A 124 -3.141 5.415 -7.288 1.00 0.00 O ATOM 1812 CB LEU A 124 -4.119 4.427 -4.674 1.00 0.00 C ATOM 1813 CG LEU A 124 -3.470 4.284 -3.288 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -2.881 2.876 -3.207 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -2.404 5.318 -2.907 1.00 0.00 C ATOM 0 H LEU A 124 -5.758 5.564 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.064 6.539 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.115 3.987 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.540 3.841 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.264 4.469 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.409 2.734 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.676 2.141 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.137 2.747 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.029 5.102 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.581 5.272 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.843 6.316 -2.922 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.435 7.212 -6.131 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.505 7.722 -7.134 1.00 0.00 C ATOM 1829 C ASN A 125 -0.194 8.136 -6.461 1.00 0.00 C ATOM 1830 O ASN A 125 0.288 9.258 -6.624 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.165 8.875 -7.907 1.00 0.00 C ATOM 1832 CG ASN A 125 -1.465 9.108 -9.237 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -0.464 9.814 -9.334 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.958 8.486 -10.285 1.00 0.00 N ATOM 0 H ASN A 125 -2.435 7.761 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.262 6.944 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -3.217 8.647 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.131 9.786 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.509 8.586 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.790 7.904 -10.188 1.00 0.00 H new ATOM 1841 N LEU A 126 0.382 7.252 -5.647 1.00 0.00 N ATOM 1842 CA LEU A 126 1.643 7.512 -4.947 1.00 0.00 C ATOM 1843 C LEU A 126 2.773 6.790 -5.690 1.00 0.00 C ATOM 1844 O LEU A 126 2.579 5.694 -6.230 1.00 0.00 O ATOM 1845 CB LEU A 126 1.575 7.033 -3.489 1.00 0.00 C ATOM 1846 CG LEU A 126 0.510 7.674 -2.573 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.574 6.974 -1.210 1.00 0.00 C ATOM 1848 CD2 LEU A 126 0.682 9.186 -2.377 1.00 0.00 C ATOM 0 H LEU A 126 -0.013 6.332 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 126 1.830 8.586 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.406 5.956 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.552 7.199 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.457 7.543 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.170 7.409 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.370 5.911 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.567 7.104 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.105 9.560 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.655 9.386 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.619 9.688 -3.343 1.00 0.00 H new ATOM 1860 N TYR A 127 3.957 7.393 -5.725 1.00 0.00 N ATOM 1861 CA TYR A 127 5.170 6.858 -6.342 1.00 0.00 C ATOM 1862 C TYR A 127 6.370 7.534 -5.680 1.00 0.00 C ATOM 1863 O TYR A 127 6.262 8.693 -5.262 1.00 0.00 O ATOM 1864 CB TYR A 127 5.149 7.132 -7.856 1.00 0.00 C ATOM 1865 CG TYR A 127 6.482 6.937 -8.552 1.00 0.00 C ATOM 1866 CD1 TYR A 127 6.968 5.639 -8.791 1.00 0.00 C ATOM 1867 CD2 TYR A 127 7.259 8.052 -8.922 1.00 0.00 C ATOM 1868 CE1 TYR A 127 8.224 5.449 -9.393 1.00 0.00 C ATOM 1869 CE2 TYR A 127 8.515 7.870 -9.527 1.00 0.00 C ATOM 1870 CZ TYR A 127 9.006 6.567 -9.761 1.00 0.00 C ATOM 1871 OH TYR A 127 10.210 6.400 -10.373 1.00 0.00 O ATOM 0 H TYR A 127 4.106 8.311 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 127 5.233 5.779 -6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.412 6.476 -8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 127 4.814 8.156 -8.022 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.372 4.783 -8.510 1.00 0.00 H new ATOM 0 HD2 TYR A 127 6.889 9.050 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.591 4.450 -9.574 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.105 8.728 -9.813 1.00 0.00 H new ATOM 0 HH TYR A 127 10.207 5.559 -10.877 1.00 0.00 H new ATOM 1881 N TYR A 128 7.503 6.843 -5.592 1.00 0.00 N ATOM 1882 CA TYR A 128 8.748 7.362 -5.051 1.00 0.00 C ATOM 1883 C TYR A 128 9.920 6.768 -5.827 1.00 0.00 C ATOM 1884 O TYR A 128 9.832 5.642 -6.313 1.00 0.00 O ATOM 1885 CB TYR A 128 8.841 6.988 -3.563 1.00 0.00 C ATOM 1886 CG TYR A 128 8.142 7.957 -2.629 1.00 0.00 C ATOM 1887 CD1 TYR A 128 8.570 9.297 -2.575 1.00 0.00 C ATOM 1888 CD2 TYR A 128 7.093 7.523 -1.798 1.00 0.00 C ATOM 1889 CE1 TYR A 128 7.960 10.204 -1.695 1.00 0.00 C ATOM 1890 CE2 TYR A 128 6.463 8.434 -0.924 1.00 0.00 C ATOM 1891 CZ TYR A 128 6.904 9.778 -0.863 1.00 0.00 C ATOM 1892 OH TYR A 128 6.339 10.671 -0.006 1.00 0.00 O ATOM 0 H TYR A 128 7.579 5.876 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 128 8.779 8.447 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.414 5.995 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.892 6.925 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.374 9.629 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.770 6.493 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 128 8.299 11.229 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.644 8.106 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 128 5.363 10.586 -0.041 1.00 0.00 H new ATOM 1902 N ASN A 129 11.033 7.502 -5.879 1.00 0.00 N ATOM 1903 CA ASN A 129 12.343 7.024 -6.306 1.00 0.00 C ATOM 1904 C ASN A 129 13.395 7.550 -5.360 1.00 0.00 C ATOM 1905 O ASN A 129 13.032 8.278 -4.410 1.00 0.00 O ATOM 1906 CB ASN A 129 12.691 7.377 -7.757 1.00 0.00 C ATOM 1907 CG ASN A 129 12.891 8.861 -8.007 1.00 0.00 C ATOM 1908 OD1 ASN A 129 14.015 9.357 -8.101 1.00 0.00 O ATOM 1909 ND2 ASN A 129 11.797 9.580 -8.172 1.00 0.00 N ATOM 0 H ASN A 129 11.043 8.487 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 129 12.312 5.935 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 129 13.600 6.847 -8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 129 11.895 7.015 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 129 11.868 10.575 -8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 129 10.880 9.141 -8.088 1.00 0.00 H new TER 1916 ASN A 129