USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 407 hydrogens (6 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 NoAdj-H: A 7 TPO H2 : A 7 TPO N : A 6 ARG C :(H bumps) USER MOD Set 1.1: B 1 LYS N :NH3+ -175:sc= 1.56 (180deg=0.947) USER MOD Set 1.2: B 38 SER OG : rot -66:sc= 1.81 USER MOD Set 2.1: A 10 LYS NZ :NH3+ -147:sc= 1.34 (180deg=-0.0914) USER MOD Set 2.2: A 11 SER OG : rot 147:sc= 1.34 USER MOD Single : A 1 LYS N :NH3+ -163:sc= 1.26 (180deg=1.09) USER MOD Single : A 1 LYS NZ :NH3+ -177:sc= 0.859 (180deg=0.85) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS NZ :NH3+ 173:sc= 1.09 (180deg=1.05) USER MOD Single : B 8 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.18) USER MOD Single : B 10 MET CE :methyl 150:sc= -0.17 (180deg=-1.18) USER MOD Single : B 11 SER OG : rot -87:sc= 1.46 USER MOD Single : B 13 SER OG : rot 52:sc= 0.314 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -25:sc= 1.22 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.16) USER MOD Single : B 22 HIS : no HE2:sc= 0.0196 K(o=0.02,f=-0.55) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc=-0.00515 K(o=-0.0052,f=-5.7!) USER MOD Single : B 27 SER OG : rot 93:sc= 1.34 USER MOD Single : B 28 GLN : amide:sc= 0.776 K(o=0.78,f=-1.1!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.1) USER MOD Single : B 36 SER OG : rot -27:sc= 0.194 USER MOD Single : B 37 SER OG : rot 36:sc= 0.0259 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -44.627 8.803 54.561 1.00 0.00 N ATOM 2 CA LYS A 1 -44.385 7.695 55.530 1.00 0.00 C ATOM 3 C LYS A 1 -44.789 6.296 54.926 1.00 0.00 C ATOM 4 O LYS A 1 -45.929 6.122 54.492 1.00 0.00 O ATOM 5 CB LYS A 1 -45.107 8.027 56.873 1.00 0.00 C ATOM 6 CG LYS A 1 -44.734 7.148 58.105 1.00 0.00 C ATOM 7 CD LYS A 1 -45.520 5.818 58.222 1.00 0.00 C ATOM 8 CE LYS A 1 -44.956 4.878 59.307 1.00 0.00 C ATOM 9 NZ LYS A 1 -45.611 3.539 59.193 1.00 0.00 N ATOM 0 H1 LYS A 1 -44.099 9.647 54.860 1.00 0.00 H new ATOM 0 H2 LYS A 1 -44.308 8.513 53.615 1.00 0.00 H new ATOM 0 H3 LYS A 1 -45.643 9.023 54.531 1.00 0.00 H new ATOM 0 HA LYS A 1 -43.318 7.613 55.738 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -44.900 9.068 57.122 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -46.182 7.946 56.710 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -43.669 6.921 58.061 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -44.898 7.731 59.011 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -46.564 6.038 58.446 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -45.502 5.306 57.260 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -43.877 4.778 59.192 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -45.134 5.299 60.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -45.269 2.919 59.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -46.642 3.649 59.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -45.378 3.116 58.272 1.00 0.00 H new ATOM 25 N VAL A 2 -43.885 5.297 54.935 1.00 0.00 N ATOM 26 CA VAL A 2 -44.149 3.939 54.350 1.00 0.00 C ATOM 27 C VAL A 2 -44.909 2.994 55.353 1.00 0.00 C ATOM 28 O VAL A 2 -44.616 2.936 56.554 1.00 0.00 O ATOM 29 CB VAL A 2 -42.791 3.320 53.847 1.00 0.00 C ATOM 30 CG1 VAL A 2 -42.867 1.863 53.326 1.00 0.00 C ATOM 31 CG2 VAL A 2 -42.150 4.114 52.690 1.00 0.00 C ATOM 0 H VAL A 2 -42.954 5.393 55.341 1.00 0.00 H new ATOM 0 HA VAL A 2 -44.819 4.047 53.497 1.00 0.00 H new ATOM 0 HB VAL A 2 -42.200 3.359 54.762 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -41.877 1.539 53.006 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -43.223 1.210 54.123 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -43.555 1.814 52.482 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -41.218 3.634 52.392 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -42.834 4.137 51.842 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -41.944 5.133 53.018 1.00 0.00 H new ATOM 41 N SER A 3 -45.862 2.206 54.836 1.00 0.00 N ATOM 42 CA SER A 3 -46.369 0.983 55.525 1.00 0.00 C ATOM 43 C SER A 3 -46.405 -0.196 54.497 1.00 0.00 C ATOM 44 O SER A 3 -47.419 -0.411 53.828 1.00 0.00 O ATOM 45 CB SER A 3 -47.735 1.320 56.167 1.00 0.00 C ATOM 46 OG SER A 3 -48.162 0.258 57.019 1.00 0.00 O ATOM 0 H SER A 3 -46.308 2.385 53.936 1.00 0.00 H new ATOM 0 HA SER A 3 -45.717 0.656 56.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 -47.656 2.244 56.739 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.478 1.490 55.388 1.00 0.00 H new ATOM 0 HG SER A 3 -49.027 0.487 57.419 1.00 0.00 H new ATOM 52 N VAL A 4 -45.264 -0.900 54.322 1.00 0.00 N ATOM 53 CA VAL A 4 -45.007 -1.831 53.164 1.00 0.00 C ATOM 54 C VAL A 4 -44.751 -1.034 51.823 1.00 0.00 C ATOM 55 O VAL A 4 -45.410 -0.031 51.525 1.00 0.00 O ATOM 56 CB VAL A 4 -46.020 -3.037 53.031 1.00 0.00 C ATOM 57 CG1 VAL A 4 -45.641 -4.083 51.952 1.00 0.00 C ATOM 58 CG2 VAL A 4 -46.213 -3.841 54.340 1.00 0.00 C ATOM 0 H VAL A 4 -44.482 -0.849 54.975 1.00 0.00 H new ATOM 0 HA VAL A 4 -44.075 -2.345 53.400 1.00 0.00 H new ATOM 0 HB VAL A 4 -46.936 -2.518 52.750 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -46.392 -4.873 51.932 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -45.597 -3.599 50.976 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -44.668 -4.513 52.188 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -46.922 -4.651 54.168 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -45.256 -4.257 54.656 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -46.597 -3.182 55.119 1.00 0.00 H new ATOM 68 N VAL A 5 -43.812 -1.490 50.969 1.00 0.00 N ATOM 69 CA VAL A 5 -43.643 -0.933 49.581 1.00 0.00 C ATOM 70 C VAL A 5 -44.674 -1.609 48.595 1.00 0.00 C ATOM 71 O VAL A 5 -44.400 -2.558 47.857 1.00 0.00 O ATOM 72 CB VAL A 5 -42.167 -1.061 49.103 1.00 0.00 C ATOM 73 CG1 VAL A 5 -41.883 -0.566 47.664 1.00 0.00 C ATOM 74 CG2 VAL A 5 -41.088 -0.366 49.979 1.00 0.00 C ATOM 0 H VAL A 5 -43.156 -2.237 51.199 1.00 0.00 H new ATOM 0 HA VAL A 5 -43.865 0.134 49.592 1.00 0.00 H new ATOM 0 HB VAL A 5 -42.077 -2.145 49.178 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -40.826 -0.701 47.435 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -42.484 -1.138 46.957 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -42.139 0.491 47.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -40.103 -0.528 49.540 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -41.292 0.704 50.027 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -41.111 -0.785 50.985 1.00 0.00 H new ATOM 84 N ARG A 6 -45.890 -1.085 48.663 1.00 0.00 N ATOM 85 CA ARG A 6 -47.092 -1.636 47.966 1.00 0.00 C ATOM 86 C ARG A 6 -47.767 -0.663 46.929 1.00 0.00 C ATOM 87 O ARG A 6 -47.486 0.541 46.873 1.00 0.00 O ATOM 88 CB ARG A 6 -48.058 -2.208 49.056 1.00 0.00 C ATOM 89 CG ARG A 6 -49.119 -1.303 49.751 1.00 0.00 C ATOM 90 CD ARG A 6 -48.640 -0.225 50.759 1.00 0.00 C ATOM 91 NE ARG A 6 -48.302 1.104 50.150 1.00 0.00 N ATOM 92 CZ ARG A 6 -49.175 1.960 49.640 1.00 0.00 C ATOM 93 NH1 ARG A 6 -50.463 1.834 49.785 1.00 0.00 N ATOM 94 NH2 ARG A 6 -48.722 2.962 48.959 1.00 0.00 N ATOM 0 H ARG A 6 -46.095 -0.248 49.209 1.00 0.00 H new ATOM 0 HA ARG A 6 -46.776 -2.446 47.309 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -48.598 -3.037 48.599 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -47.434 -2.630 49.844 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -49.683 -0.795 48.968 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -49.818 -1.956 50.274 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -49.418 -0.078 51.508 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -47.761 -0.603 51.282 1.00 0.00 H new ATOM 0 HE ARG A 6 -47.318 1.371 50.127 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -50.842 1.047 50.312 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -51.092 2.522 49.372 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -47.717 3.076 48.827 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -49.370 3.638 48.554 1.00 0.00 H new HETATM 108 N TPO A 7 -48.715 -1.202 46.144 1.00 0.00 N HETATM 109 CA TPO A 7 -49.714 -0.407 45.354 1.00 0.00 C HETATM 110 CB TPO A 7 -50.633 -1.436 44.599 1.00 0.00 C HETATM 111 CG2 TPO A 7 -51.892 -0.874 43.931 1.00 0.00 C HETATM 112 OG1 TPO A 7 -51.120 -2.511 45.441 1.00 0.00 O HETATM 113 P TPO A 7 -50.545 -4.009 45.356 1.00 0.00 P HETATM 114 O1P TPO A 7 -49.263 -4.144 46.181 1.00 0.00 O HETATM 115 O2P TPO A 7 -51.585 -5.001 45.941 1.00 0.00 O HETATM 116 O3P TPO A 7 -50.253 -4.436 43.846 1.00 0.00 O HETATM 117 C TPO A 7 -50.546 0.689 46.150 1.00 0.00 C HETATM 118 O TPO A 7 -51.148 0.338 47.170 1.00 0.00 O HETATM 0 HG23 TPO A 7 -52.527 -0.409 44.685 1.00 0.00 H new HETATM 0 HG22 TPO A 7 -51.608 -0.130 43.187 1.00 0.00 H new HETATM 0 HG21 TPO A 7 -52.438 -1.683 43.446 1.00 0.00 H new HETATM 0 HB TPO A 7 -49.933 -1.777 43.836 1.00 0.00 H new HETATM 0 HA TPO A 7 -49.153 0.220 44.661 1.00 0.00 H new HETATM 0 H TPO A 7 -48.734 -2.221 46.112 1.00 0.00 H new ATOM 125 N PRO A 8 -50.673 1.990 45.718 1.00 0.00 N ATOM 126 CA PRO A 8 -51.624 2.966 46.325 1.00 0.00 C ATOM 127 C PRO A 8 -53.167 2.687 46.202 1.00 0.00 C ATOM 128 O PRO A 8 -53.769 2.594 47.278 1.00 0.00 O ATOM 129 CB PRO A 8 -51.168 4.345 45.807 1.00 0.00 C ATOM 130 CG PRO A 8 -49.851 4.102 45.079 1.00 0.00 C ATOM 131 CD PRO A 8 -49.802 2.617 44.705 1.00 0.00 C ATOM 0 HA PRO A 8 -51.561 2.883 47.410 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -51.911 4.776 45.136 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -51.036 5.047 46.630 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -49.785 4.725 44.187 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -49.006 4.366 45.715 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -50.170 2.443 43.694 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -48.786 2.224 44.747 1.00 0.00 H new ATOM 139 N PRO A 9 -53.859 2.555 45.023 1.00 0.00 N ATOM 140 CA PRO A 9 -55.328 2.299 44.984 1.00 0.00 C ATOM 141 C PRO A 9 -55.682 0.787 45.228 1.00 0.00 C ATOM 142 O PRO A 9 -55.498 0.287 46.339 1.00 0.00 O ATOM 143 CB PRO A 9 -55.673 2.952 43.622 1.00 0.00 C ATOM 144 CG PRO A 9 -54.464 2.652 42.730 1.00 0.00 C ATOM 145 CD PRO A 9 -53.273 2.784 43.680 1.00 0.00 C ATOM 0 HA PRO A 9 -55.941 2.720 45.781 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -56.588 2.534 43.203 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -55.832 4.025 43.726 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.523 1.653 42.298 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -54.394 3.355 41.900 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.498 2.052 43.453 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -52.812 3.769 43.608 1.00 0.00 H new ATOM 153 N LYS A 10 -56.190 0.047 44.226 1.00 0.00 N ATOM 154 CA LYS A 10 -56.406 -1.421 44.321 1.00 0.00 C ATOM 155 C LYS A 10 -56.171 -2.099 42.927 1.00 0.00 C ATOM 156 O LYS A 10 -57.046 -2.165 42.061 1.00 0.00 O ATOM 157 CB LYS A 10 -57.806 -1.759 44.928 1.00 0.00 C ATOM 158 CG LYS A 10 -57.924 -1.855 46.475 1.00 0.00 C ATOM 159 CD LYS A 10 -57.296 -3.115 47.132 1.00 0.00 C ATOM 160 CE LYS A 10 -55.804 -3.007 47.536 1.00 0.00 C ATOM 161 NZ LYS A 10 -54.966 -4.110 46.954 1.00 0.00 N ATOM 0 H LYS A 10 -56.464 0.442 43.327 1.00 0.00 H new ATOM 0 HA LYS A 10 -55.671 -1.835 45.012 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -58.511 -1.001 44.585 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -58.132 -2.711 44.508 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -57.456 -0.972 46.910 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -58.980 -1.820 46.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -57.875 -3.361 48.022 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -57.404 -3.951 46.441 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -55.411 -2.045 47.207 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -55.723 -3.029 48.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -54.201 -4.351 47.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -55.560 -4.948 46.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -54.556 -3.795 46.051 1.00 0.00 H new ATOM 175 N SER A 11 -55.014 -2.741 42.762 1.00 0.00 N ATOM 176 CA SER A 11 -54.951 -4.228 42.589 1.00 0.00 C ATOM 177 C SER A 11 -55.980 -5.139 43.382 1.00 0.00 C ATOM 178 O SER A 11 -56.561 -4.649 44.354 1.00 0.00 O ATOM 179 CB SER A 11 -53.537 -4.545 43.152 1.00 0.00 C ATOM 180 OG SER A 11 -53.463 -4.183 44.539 1.00 0.00 O ATOM 0 H SER A 11 -54.106 -2.278 42.742 1.00 0.00 H new ATOM 0 HA SER A 11 -55.184 -4.456 41.549 1.00 0.00 H new ATOM 0 HB2 SER A 11 -53.320 -5.607 43.034 1.00 0.00 H new ATOM 0 HB3 SER A 11 -52.782 -4.000 42.586 1.00 0.00 H new ATOM 0 HG SER A 11 -52.870 -4.806 45.008 1.00 0.00 H new ATOM 186 N PRO A 12 -56.165 -6.471 43.138 1.00 0.00 N ATOM 187 CA PRO A 12 -56.767 -7.377 44.167 1.00 0.00 C ATOM 188 C PRO A 12 -56.001 -7.401 45.546 1.00 0.00 C ATOM 189 O PRO A 12 -56.521 -6.912 46.554 1.00 0.00 O ATOM 190 CB PRO A 12 -56.864 -8.706 43.387 1.00 0.00 C ATOM 191 CG PRO A 12 -55.761 -8.643 42.323 1.00 0.00 C ATOM 192 CD PRO A 12 -55.665 -7.166 41.936 1.00 0.00 C ATOM 0 HA PRO A 12 -57.739 -7.058 44.542 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -56.721 -9.560 44.049 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -57.846 -8.820 42.927 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -54.813 -9.010 42.716 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -56.009 -9.261 41.460 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -54.641 -6.877 41.700 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -56.270 -6.939 41.058 1.00 0.00 H new ATOM 200 N SER A 13 -54.739 -7.856 45.562 1.00 0.00 N ATOM 201 CA SER A 13 -53.833 -7.742 46.735 1.00 0.00 C ATOM 202 C SER A 13 -52.949 -6.458 46.678 1.00 0.00 C ATOM 203 O SER A 13 -52.335 -6.130 45.640 1.00 0.00 O ATOM 204 CB SER A 13 -52.991 -9.038 46.781 1.00 0.00 C ATOM 205 OG SER A 13 -52.148 -9.080 47.935 1.00 0.00 O ATOM 206 OXT SER A 13 -52.832 -5.747 47.696 1.00 0.00 O ATOM 0 H SER A 13 -54.308 -8.317 44.761 1.00 0.00 H new ATOM 0 HA SER A 13 -54.412 -7.636 47.653 1.00 0.00 H new ATOM 0 HB2 SER A 13 -53.654 -9.903 46.783 1.00 0.00 H new ATOM 0 HB3 SER A 13 -52.380 -9.107 45.881 1.00 0.00 H new ATOM 0 HG SER A 13 -51.632 -9.913 47.933 1.00 0.00 H new TER 212 SER A 13 ATOM 213 N LYS B 1 -35.898 14.671 33.063 1.00 0.00 N ATOM 214 CA LYS B 1 -35.449 13.739 34.126 1.00 0.00 C ATOM 215 C LYS B 1 -36.390 13.850 35.378 1.00 0.00 C ATOM 216 O LYS B 1 -36.759 14.956 35.777 1.00 0.00 O ATOM 217 CB LYS B 1 -33.933 14.005 34.393 1.00 0.00 C ATOM 218 CG LYS B 1 -33.206 13.032 35.371 1.00 0.00 C ATOM 219 CD LYS B 1 -33.221 13.506 36.846 1.00 0.00 C ATOM 220 CE LYS B 1 -32.983 12.375 37.874 1.00 0.00 C ATOM 221 NZ LYS B 1 -33.337 12.862 39.243 1.00 0.00 N ATOM 0 H1 LYS B 1 -35.321 14.528 32.210 1.00 0.00 H new ATOM 0 H2 LYS B 1 -36.897 14.488 32.840 1.00 0.00 H new ATOM 0 H3 LYS B 1 -35.791 15.651 33.393 1.00 0.00 H new ATOM 0 HA LYS B 1 -35.531 12.695 33.824 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -33.411 13.977 33.437 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -33.830 15.017 34.783 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -33.676 12.050 35.309 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -32.172 12.911 35.048 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -32.455 14.270 36.979 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -34.181 13.977 37.056 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -33.587 11.504 37.619 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -31.940 12.059 37.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -33.291 12.070 39.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -32.666 13.602 39.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -34.301 13.253 39.234 1.00 0.00 H new ATOM 237 N LEU B 2 -36.764 12.721 36.009 1.00 0.00 N ATOM 238 CA LEU B 2 -37.659 12.711 37.212 1.00 0.00 C ATOM 239 C LEU B 2 -37.126 13.428 38.523 1.00 0.00 C ATOM 240 O LEU B 2 -35.933 13.746 38.591 1.00 0.00 O ATOM 241 CB LEU B 2 -38.015 11.215 37.472 1.00 0.00 C ATOM 242 CG LEU B 2 -36.892 10.364 38.121 1.00 0.00 C ATOM 243 CD1 LEU B 2 -37.162 10.206 39.617 1.00 0.00 C ATOM 244 CD2 LEU B 2 -36.762 8.977 37.474 1.00 0.00 C ATOM 0 H LEU B 2 -36.465 11.792 35.713 1.00 0.00 H new ATOM 0 HA LEU B 2 -38.527 13.327 36.977 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.894 11.175 38.115 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -38.293 10.756 36.523 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.952 10.892 37.961 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -36.371 9.608 40.068 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.187 11.189 40.088 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.121 9.709 39.763 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.963 8.421 37.964 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.701 8.435 37.584 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -36.530 9.090 36.415 1.00 0.00 H new ATOM 256 N PRO B 3 -37.913 13.644 39.614 1.00 0.00 N ATOM 257 CA PRO B 3 -37.455 14.463 40.769 1.00 0.00 C ATOM 258 C PRO B 3 -36.286 13.990 41.742 1.00 0.00 C ATOM 259 O PRO B 3 -35.987 12.788 41.876 1.00 0.00 O ATOM 260 CB PRO B 3 -38.801 14.806 41.444 1.00 0.00 C ATOM 261 CG PRO B 3 -39.884 14.615 40.399 1.00 0.00 C ATOM 262 CD PRO B 3 -39.372 13.413 39.627 1.00 0.00 C ATOM 0 HA PRO B 3 -36.859 15.300 40.405 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -38.977 14.160 42.304 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -38.797 15.832 41.812 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -40.857 14.425 40.851 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -39.994 15.492 39.761 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -39.631 12.475 40.118 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -39.786 13.371 38.620 1.00 0.00 H new ATOM 270 N PRO B 4 -35.571 14.928 42.442 1.00 0.00 N ATOM 271 CA PRO B 4 -34.522 14.580 43.437 1.00 0.00 C ATOM 272 C PRO B 4 -35.117 14.020 44.770 1.00 0.00 C ATOM 273 O PRO B 4 -36.132 14.505 45.279 1.00 0.00 O ATOM 274 CB PRO B 4 -33.791 15.928 43.584 1.00 0.00 C ATOM 275 CG PRO B 4 -34.875 16.995 43.412 1.00 0.00 C ATOM 276 CD PRO B 4 -35.905 16.369 42.470 1.00 0.00 C ATOM 0 HA PRO B 4 -33.861 13.768 43.135 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -33.309 16.010 44.558 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -33.010 16.036 42.832 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -35.325 17.258 44.369 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -34.462 17.912 42.991 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -36.921 16.532 42.831 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -35.847 16.807 41.474 1.00 0.00 H new ATOM 284 N GLY B 5 -34.517 12.944 45.284 1.00 0.00 N ATOM 285 CA GLY B 5 -35.197 12.085 46.293 1.00 0.00 C ATOM 286 C GLY B 5 -36.174 11.004 45.773 1.00 0.00 C ATOM 287 O GLY B 5 -37.102 10.673 46.512 1.00 0.00 O ATOM 0 H GLY B 5 -33.577 12.639 45.032 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -34.428 11.587 46.883 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -35.747 12.736 46.972 1.00 0.00 H new ATOM 291 N TRP B 6 -35.961 10.401 44.589 1.00 0.00 N ATOM 292 CA TRP B 6 -36.731 9.225 44.139 1.00 0.00 C ATOM 293 C TRP B 6 -35.886 7.938 43.944 1.00 0.00 C ATOM 294 O TRP B 6 -34.676 7.994 43.700 1.00 0.00 O ATOM 295 CB TRP B 6 -37.253 9.708 42.765 1.00 0.00 C ATOM 296 CG TRP B 6 -38.623 10.344 42.834 1.00 0.00 C ATOM 297 CD1 TRP B 6 -38.858 11.703 43.061 1.00 0.00 C ATOM 298 CD2 TRP B 6 -39.847 9.729 42.866 1.00 0.00 C ATOM 299 NE1 TRP B 6 -40.215 11.966 43.288 1.00 0.00 N ATOM 300 CE2 TRP B 6 -40.802 10.725 43.175 1.00 0.00 C ATOM 301 CE3 TRP B 6 -40.241 8.373 42.678 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -42.155 10.393 43.293 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -41.584 8.065 42.910 1.00 0.00 C ATOM 304 CH2 TRP B 6 -42.524 9.051 43.223 1.00 0.00 C ATOM 0 H TRP B 6 -35.256 10.712 43.921 1.00 0.00 H new ATOM 0 HA TRP B 6 -37.484 8.936 44.872 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -36.547 10.427 42.349 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -37.288 8.861 42.079 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -38.087 12.459 43.061 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -40.661 12.861 43.489 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -39.534 7.617 42.370 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -42.900 11.162 43.436 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -41.905 7.036 42.846 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -43.549 8.769 43.413 1.00 0.00 H new ATOM 315 N GLU B 7 -36.575 6.780 43.897 1.00 0.00 N ATOM 316 CA GLU B 7 -36.099 5.629 43.119 1.00 0.00 C ATOM 317 C GLU B 7 -37.293 4.809 42.505 1.00 0.00 C ATOM 318 O GLU B 7 -38.318 5.359 42.087 1.00 0.00 O ATOM 319 CB GLU B 7 -35.063 4.865 44.024 1.00 0.00 C ATOM 320 CG GLU B 7 -33.987 4.012 43.299 1.00 0.00 C ATOM 321 CD GLU B 7 -34.032 2.528 43.579 1.00 0.00 C ATOM 322 OE1 GLU B 7 -33.732 2.106 44.714 1.00 0.00 O ATOM 323 OE2 GLU B 7 -34.389 1.766 42.664 1.00 0.00 O ATOM 0 H GLU B 7 -37.456 6.622 44.386 1.00 0.00 H new ATOM 0 HA GLU B 7 -35.561 5.911 42.214 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -34.551 5.599 44.646 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.618 4.210 44.696 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.092 4.164 42.225 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.003 4.387 43.579 1.00 0.00 H new ATOM 330 N LYS B 8 -37.130 3.490 42.360 1.00 0.00 N ATOM 331 CA LYS B 8 -37.983 2.633 41.487 1.00 0.00 C ATOM 332 C LYS B 8 -38.083 1.186 42.073 1.00 0.00 C ATOM 333 O LYS B 8 -37.058 0.526 42.282 1.00 0.00 O ATOM 334 CB LYS B 8 -37.513 2.761 39.999 1.00 0.00 C ATOM 335 CG LYS B 8 -36.077 2.327 39.623 1.00 0.00 C ATOM 336 CD LYS B 8 -35.979 0.831 39.247 1.00 0.00 C ATOM 337 CE LYS B 8 -34.525 0.312 39.189 1.00 0.00 C ATOM 338 NZ LYS B 8 -34.075 0.099 40.607 1.00 0.00 N ATOM 0 H LYS B 8 -36.399 2.969 42.844 1.00 0.00 H new ATOM 0 HA LYS B 8 -39.017 2.977 41.475 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.203 2.181 39.386 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -37.628 3.805 39.707 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -35.728 2.931 38.785 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.410 2.530 40.461 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.539 0.243 39.974 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.453 0.675 38.278 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.470 -0.618 38.624 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.879 1.030 38.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.080 -0.203 40.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.171 0.988 41.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.663 -0.635 41.051 1.00 0.00 H new ATOM 352 N ARG B 9 -39.292 0.693 42.429 1.00 0.00 N ATOM 353 CA ARG B 9 -39.417 -0.486 43.350 1.00 0.00 C ATOM 354 C ARG B 9 -40.489 -1.511 42.932 1.00 0.00 C ATOM 355 O ARG B 9 -41.678 -1.213 42.916 1.00 0.00 O ATOM 356 CB ARG B 9 -39.628 -0.082 44.827 1.00 0.00 C ATOM 357 CG ARG B 9 -38.432 0.686 45.405 1.00 0.00 C ATOM 358 CD ARG B 9 -38.235 0.514 46.928 1.00 0.00 C ATOM 359 NE ARG B 9 -37.205 1.441 47.496 1.00 0.00 N ATOM 360 CZ ARG B 9 -35.965 1.568 47.000 1.00 0.00 C ATOM 361 NH1 ARG B 9 -35.355 0.636 46.328 1.00 0.00 N ATOM 362 NH2 ARG B 9 -35.327 2.677 47.133 1.00 0.00 N ATOM 0 H ARG B 9 -40.182 1.075 42.107 1.00 0.00 H new ATOM 0 HA ARG B 9 -38.449 -0.979 43.258 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -40.524 0.534 44.907 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -39.803 -0.977 45.423 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.526 0.359 44.895 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.557 1.746 45.185 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -39.186 0.684 47.433 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.943 -0.515 47.137 1.00 0.00 H new ATOM 0 HE ARG B 9 -37.460 2.007 48.305 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -35.821 -0.254 46.152 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.411 0.795 45.977 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -35.764 3.462 47.616 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -34.384 2.772 46.755 1.00 0.00 H new ATOM 376 N MET B 10 -40.024 -2.715 42.605 1.00 0.00 N ATOM 377 CA MET B 10 -40.711 -3.618 41.664 1.00 0.00 C ATOM 378 C MET B 10 -41.526 -4.762 42.329 1.00 0.00 C ATOM 379 O MET B 10 -40.908 -5.656 42.915 1.00 0.00 O ATOM 380 CB MET B 10 -39.592 -4.126 40.708 1.00 0.00 C ATOM 381 CG MET B 10 -40.093 -4.357 39.281 1.00 0.00 C ATOM 382 SD MET B 10 -41.144 -5.814 39.166 1.00 0.00 S ATOM 383 CE MET B 10 -42.645 -5.023 38.590 1.00 0.00 C ATOM 0 H MET B 10 -39.158 -3.099 42.983 1.00 0.00 H new ATOM 0 HA MET B 10 -41.495 -3.084 41.127 1.00 0.00 H new ATOM 0 HB2 MET B 10 -38.779 -3.401 40.690 1.00 0.00 H new ATOM 0 HB3 MET B 10 -39.181 -5.057 41.099 1.00 0.00 H new ATOM 0 HG2 MET B 10 -40.648 -3.481 38.945 1.00 0.00 H new ATOM 0 HG3 MET B 10 -39.241 -4.470 38.611 1.00 0.00 H new ATOM 0 HE1 MET B 10 -43.211 -5.721 37.973 1.00 0.00 H new ATOM 0 HE2 MET B 10 -43.250 -4.723 39.446 1.00 0.00 H new ATOM 0 HE3 MET B 10 -42.389 -4.143 38.000 1.00 0.00 H new ATOM 393 N SER B 11 -42.880 -4.797 42.218 1.00 0.00 N ATOM 394 CA SER B 11 -43.675 -6.001 42.652 1.00 0.00 C ATOM 395 C SER B 11 -43.385 -6.675 44.043 1.00 0.00 C ATOM 396 O SER B 11 -42.651 -7.665 44.110 1.00 0.00 O ATOM 397 CB SER B 11 -43.700 -7.032 41.496 1.00 0.00 C ATOM 398 OG SER B 11 -42.425 -7.639 41.283 1.00 0.00 O ATOM 0 H SER B 11 -43.442 -4.032 41.843 1.00 0.00 H new ATOM 0 HA SER B 11 -44.659 -5.584 42.864 1.00 0.00 H new ATOM 0 HB2 SER B 11 -44.435 -7.805 41.718 1.00 0.00 H new ATOM 0 HB3 SER B 11 -44.023 -6.539 40.579 1.00 0.00 H new ATOM 0 HG SER B 11 -41.896 -7.083 40.673 1.00 0.00 H new ATOM 404 N ARG B 12 -44.017 -6.213 45.139 1.00 0.00 N ATOM 405 CA ARG B 12 -43.909 -6.902 46.469 1.00 0.00 C ATOM 406 C ARG B 12 -44.315 -8.423 46.535 1.00 0.00 C ATOM 407 O ARG B 12 -43.633 -9.209 47.193 1.00 0.00 O ATOM 408 CB ARG B 12 -44.542 -6.019 47.586 1.00 0.00 C ATOM 409 CG ARG B 12 -46.046 -5.628 47.521 1.00 0.00 C ATOM 410 CD ARG B 12 -47.063 -6.747 47.856 1.00 0.00 C ATOM 411 NE ARG B 12 -47.969 -6.980 46.693 1.00 0.00 N ATOM 412 CZ ARG B 12 -49.296 -7.031 46.749 1.00 0.00 C ATOM 413 NH1 ARG B 12 -50.016 -6.731 47.787 1.00 0.00 N ATOM 414 NH2 ARG B 12 -49.923 -7.256 45.652 1.00 0.00 N ATOM 0 H ARG B 12 -44.603 -5.378 45.146 1.00 0.00 H new ATOM 0 HA ARG B 12 -42.838 -6.990 46.654 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -44.384 -6.535 48.533 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -43.969 -5.092 47.628 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -46.213 -4.798 48.207 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -46.261 -5.260 46.518 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -46.534 -7.667 48.105 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -47.648 -6.468 48.732 1.00 0.00 H new ATOM 0 HE ARG B 12 -47.534 -7.111 45.780 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -49.565 -6.427 48.650 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -51.033 -6.799 47.740 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -49.402 -7.387 44.785 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -50.942 -7.304 45.647 1.00 0.00 H new ATOM 428 N SER B 13 -45.395 -8.835 45.849 1.00 0.00 N ATOM 429 CA SER B 13 -45.756 -10.268 45.629 1.00 0.00 C ATOM 430 C SER B 13 -46.751 -10.436 44.418 1.00 0.00 C ATOM 431 O SER B 13 -47.857 -10.962 44.586 1.00 0.00 O ATOM 432 CB SER B 13 -46.299 -10.896 46.949 1.00 0.00 C ATOM 433 OG SER B 13 -47.567 -10.350 47.326 1.00 0.00 O ATOM 0 H SER B 13 -46.056 -8.185 45.423 1.00 0.00 H new ATOM 0 HA SER B 13 -44.855 -10.817 45.354 1.00 0.00 H new ATOM 0 HB2 SER B 13 -46.392 -11.975 46.824 1.00 0.00 H new ATOM 0 HB3 SER B 13 -45.580 -10.729 47.751 1.00 0.00 H new ATOM 0 HG SER B 13 -48.183 -10.399 46.566 1.00 0.00 H new ATOM 439 N SER B 14 -46.405 -9.941 43.207 1.00 0.00 N ATOM 440 CA SER B 14 -47.260 -10.063 41.980 1.00 0.00 C ATOM 441 C SER B 14 -46.403 -9.734 40.696 1.00 0.00 C ATOM 442 O SER B 14 -45.459 -10.458 40.385 1.00 0.00 O ATOM 443 CB SER B 14 -48.587 -9.248 42.159 1.00 0.00 C ATOM 444 OG SER B 14 -49.441 -9.368 41.019 1.00 0.00 O ATOM 0 H SER B 14 -45.529 -9.445 43.042 1.00 0.00 H new ATOM 0 HA SER B 14 -47.597 -11.089 41.830 1.00 0.00 H new ATOM 0 HB2 SER B 14 -49.113 -9.600 43.046 1.00 0.00 H new ATOM 0 HB3 SER B 14 -48.349 -8.198 42.326 1.00 0.00 H new ATOM 0 HG SER B 14 -50.259 -8.849 41.167 1.00 0.00 H new ATOM 450 N GLY B 15 -46.701 -8.645 39.967 1.00 0.00 N ATOM 451 CA GLY B 15 -45.870 -8.145 38.825 1.00 0.00 C ATOM 452 C GLY B 15 -46.098 -6.666 38.393 1.00 0.00 C ATOM 453 O GLY B 15 -45.896 -6.320 37.230 1.00 0.00 O ATOM 0 H GLY B 15 -47.527 -8.074 40.143 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -44.819 -8.265 39.090 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -46.056 -8.785 37.962 1.00 0.00 H new ATOM 457 N ARG B 16 -46.549 -5.799 39.315 1.00 0.00 N ATOM 458 CA ARG B 16 -46.640 -4.324 39.129 1.00 0.00 C ATOM 459 C ARG B 16 -46.167 -3.602 40.442 1.00 0.00 C ATOM 460 O ARG B 16 -45.930 -4.222 41.473 1.00 0.00 O ATOM 461 CB ARG B 16 -48.083 -3.911 38.699 1.00 0.00 C ATOM 462 CG ARG B 16 -48.595 -4.338 37.298 1.00 0.00 C ATOM 463 CD ARG B 16 -49.322 -5.698 37.291 1.00 0.00 C ATOM 464 NE ARG B 16 -49.960 -5.956 35.966 1.00 0.00 N ATOM 465 CZ ARG B 16 -51.205 -5.645 35.623 1.00 0.00 C ATOM 466 NH1 ARG B 16 -52.037 -5.023 36.410 1.00 0.00 N ATOM 467 NH2 ARG B 16 -51.612 -5.974 34.439 1.00 0.00 N ATOM 0 H ARG B 16 -46.870 -6.102 40.235 1.00 0.00 H new ATOM 0 HA ARG B 16 -45.978 -4.010 38.322 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -48.776 -4.311 39.440 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -48.147 -2.824 38.757 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -49.272 -3.572 36.920 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -47.750 -4.384 36.611 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -48.614 -6.494 37.519 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -50.081 -5.713 38.073 1.00 0.00 H new ATOM 0 HE ARG B 16 -49.386 -6.414 35.258 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -51.743 -4.747 37.347 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -52.982 -4.812 36.089 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -50.982 -6.458 33.799 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -52.563 -5.749 34.146 1.00 0.00 H new ATOM 481 N VAL B 17 -46.003 -2.281 40.388 1.00 0.00 N ATOM 482 CA VAL B 17 -45.118 -1.503 41.310 1.00 0.00 C ATOM 483 C VAL B 17 -43.692 -1.307 40.712 1.00 0.00 C ATOM 484 O VAL B 17 -43.169 -2.220 40.082 1.00 0.00 O ATOM 485 CB VAL B 17 -45.401 -1.514 42.859 1.00 0.00 C ATOM 486 CG1 VAL B 17 -44.696 -2.546 43.760 1.00 0.00 C ATOM 487 CG2 VAL B 17 -45.168 -0.147 43.542 1.00 0.00 C ATOM 0 H VAL B 17 -46.479 -1.696 39.701 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.485 -0.478 41.351 1.00 0.00 H new ATOM 0 HB VAL B 17 -46.449 -1.809 42.802 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -45.012 -2.403 44.793 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -44.960 -3.553 43.436 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -43.616 -2.413 43.689 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -45.383 -0.231 44.607 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -44.130 0.157 43.404 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -45.827 0.599 43.097 1.00 0.00 H new ATOM 497 N TYR B 18 -43.159 -0.065 40.725 1.00 0.00 N ATOM 498 CA TYR B 18 -41.945 0.373 39.992 1.00 0.00 C ATOM 499 C TYR B 18 -41.529 1.886 40.245 1.00 0.00 C ATOM 500 O TYR B 18 -40.554 2.334 39.653 1.00 0.00 O ATOM 501 CB TYR B 18 -41.888 -0.071 38.495 1.00 0.00 C ATOM 502 CG TYR B 18 -43.171 0.107 37.665 1.00 0.00 C ATOM 503 CD1 TYR B 18 -43.664 1.396 37.502 1.00 0.00 C ATOM 504 CD2 TYR B 18 -44.014 -0.986 37.433 1.00 0.00 C ATOM 505 CE1 TYR B 18 -45.016 1.601 37.267 1.00 0.00 C ATOM 506 CE2 TYR B 18 -45.373 -0.782 37.210 1.00 0.00 C ATOM 507 CZ TYR B 18 -45.879 0.514 37.145 1.00 0.00 C ATOM 508 OH TYR B 18 -47.231 0.721 37.094 1.00 0.00 O ATOM 0 H TYR B 18 -43.577 0.691 41.267 1.00 0.00 H new ATOM 0 HA TYR B 18 -41.145 -0.200 40.461 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -41.088 0.486 38.007 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -41.608 -1.124 38.464 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.993 2.240 37.558 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.610 -1.988 37.427 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -45.401 2.606 37.178 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -46.034 -1.627 37.088 1.00 0.00 H new ATOM 0 HH TYR B 18 -47.450 1.566 37.540 1.00 0.00 H new ATOM 518 N TYR B 19 -42.126 2.637 41.188 1.00 0.00 N ATOM 519 CA TYR B 19 -41.726 4.039 41.571 1.00 0.00 C ATOM 520 C TYR B 19 -41.728 4.173 43.145 1.00 0.00 C ATOM 521 O TYR B 19 -42.629 3.695 43.842 1.00 0.00 O ATOM 522 CB TYR B 19 -42.683 5.066 40.885 1.00 0.00 C ATOM 523 CG TYR B 19 -42.556 5.280 39.372 1.00 0.00 C ATOM 524 CD1 TYR B 19 -41.515 6.060 38.847 1.00 0.00 C ATOM 525 CD2 TYR B 19 -43.517 4.753 38.511 1.00 0.00 C ATOM 526 CE1 TYR B 19 -41.406 6.244 37.470 1.00 0.00 C ATOM 527 CE2 TYR B 19 -43.412 4.950 37.134 1.00 0.00 C ATOM 528 CZ TYR B 19 -42.348 5.681 36.616 1.00 0.00 C ATOM 529 OH TYR B 19 -42.245 5.877 35.267 1.00 0.00 O ATOM 0 H TYR B 19 -42.921 2.295 41.728 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.716 4.255 41.223 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -43.707 4.756 41.092 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.538 6.031 41.371 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -40.797 6.519 39.511 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -44.347 4.190 38.912 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -40.590 6.824 37.066 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -44.156 4.535 36.471 1.00 0.00 H new ATOM 0 HH TYR B 19 -42.981 5.416 34.812 1.00 0.00 H new ATOM 539 N PHE B 20 -40.720 4.833 43.731 1.00 0.00 N ATOM 540 CA PHE B 20 -40.653 5.114 45.205 1.00 0.00 C ATOM 541 C PHE B 20 -40.104 6.545 45.529 1.00 0.00 C ATOM 542 O PHE B 20 -39.027 6.906 45.067 1.00 0.00 O ATOM 543 CB PHE B 20 -39.775 3.999 45.840 1.00 0.00 C ATOM 544 CG PHE B 20 -39.559 4.089 47.360 1.00 0.00 C ATOM 545 CD1 PHE B 20 -40.508 3.579 48.228 1.00 0.00 C ATOM 546 CD2 PHE B 20 -38.473 4.790 47.869 1.00 0.00 C ATOM 547 CE1 PHE B 20 -40.388 3.780 49.597 1.00 0.00 C ATOM 548 CE2 PHE B 20 -38.346 4.993 49.239 1.00 0.00 C ATOM 549 CZ PHE B 20 -39.280 4.461 50.162 1.00 0.00 C ATOM 0 H PHE B 20 -39.919 5.195 43.213 1.00 0.00 H new ATOM 0 HA PHE B 20 -41.658 5.103 45.628 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -40.230 3.034 45.615 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -38.800 4.012 45.354 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -41.347 3.021 47.839 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -37.723 5.180 47.197 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -41.162 3.406 50.251 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -37.513 5.572 49.609 1.00 0.00 H new ATOM 0 HZ PHE B 20 -39.156 4.568 51.230 1.00 0.00 H new ATOM 559 N ASN B 21 -40.771 7.339 46.378 1.00 0.00 N ATOM 560 CA ASN B 21 -40.219 8.635 46.874 1.00 0.00 C ATOM 561 C ASN B 21 -39.472 8.446 48.245 1.00 0.00 C ATOM 562 O ASN B 21 -40.032 7.876 49.181 1.00 0.00 O ATOM 563 CB ASN B 21 -41.396 9.650 46.976 1.00 0.00 C ATOM 564 CG ASN B 21 -41.127 11.148 46.773 1.00 0.00 C ATOM 565 OD1 ASN B 21 -42.003 11.904 46.372 1.00 0.00 O ATOM 566 ND2 ASN B 21 -39.971 11.669 47.087 1.00 0.00 N ATOM 0 H ASN B 21 -41.697 7.117 46.744 1.00 0.00 H new ATOM 0 HA ASN B 21 -39.473 9.021 46.180 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -42.148 9.352 46.245 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -41.845 9.530 47.962 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -39.822 12.674 46.994 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -39.217 11.071 47.425 1.00 0.00 H new ATOM 573 N HIS B 22 -38.231 8.941 48.386 1.00 0.00 N ATOM 574 CA HIS B 22 -37.466 8.896 49.677 1.00 0.00 C ATOM 575 C HIS B 22 -37.812 10.045 50.685 1.00 0.00 C ATOM 576 O HIS B 22 -38.113 9.776 51.848 1.00 0.00 O ATOM 577 CB HIS B 22 -35.941 8.881 49.357 1.00 0.00 C ATOM 578 CG HIS B 22 -35.370 7.531 48.955 1.00 0.00 C ATOM 579 ND1 HIS B 22 -34.699 6.709 49.833 1.00 0.00 N ATOM 580 CD2 HIS B 22 -35.399 6.950 47.679 1.00 0.00 C ATOM 581 CE1 HIS B 22 -34.351 5.692 48.992 1.00 0.00 C ATOM 582 NE2 HIS B 22 -34.751 5.723 47.683 1.00 0.00 N ATOM 0 H HIS B 22 -37.719 9.384 47.623 1.00 0.00 H new ATOM 0 HA HIS B 22 -37.767 7.982 50.189 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -35.749 9.591 48.553 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -35.400 9.238 50.233 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -34.514 6.827 50.829 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -35.862 7.397 46.812 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -33.761 4.865 49.358 1.00 0.00 H new ATOM 590 N ILE B 23 -37.733 11.309 50.239 1.00 0.00 N ATOM 591 CA ILE B 23 -38.019 12.529 51.069 1.00 0.00 C ATOM 592 C ILE B 23 -39.493 12.655 51.602 1.00 0.00 C ATOM 593 O ILE B 23 -39.705 12.796 52.807 1.00 0.00 O ATOM 594 CB ILE B 23 -37.478 13.812 50.328 1.00 0.00 C ATOM 595 CG1 ILE B 23 -38.010 13.994 48.869 1.00 0.00 C ATOM 596 CG2 ILE B 23 -35.927 13.876 50.379 1.00 0.00 C ATOM 597 CD1 ILE B 23 -37.614 15.278 48.132 1.00 0.00 C ATOM 0 H ILE B 23 -37.466 11.534 49.281 1.00 0.00 H new ATOM 0 HA ILE B 23 -37.467 12.417 52.002 1.00 0.00 H new ATOM 0 HB ILE B 23 -37.885 14.657 50.883 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -37.667 13.146 48.277 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -39.098 13.944 48.898 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -35.583 14.771 49.860 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -35.598 13.909 51.418 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -35.510 12.993 49.895 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -38.050 15.273 47.133 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -37.981 16.143 48.685 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -36.528 15.332 48.053 1.00 0.00 H new ATOM 609 N THR B 24 -40.509 12.508 50.736 1.00 0.00 N ATOM 610 CA THR B 24 -41.902 12.137 51.152 1.00 0.00 C ATOM 611 C THR B 24 -42.024 10.770 51.934 1.00 0.00 C ATOM 612 O THR B 24 -42.800 10.651 52.891 1.00 0.00 O ATOM 613 CB THR B 24 -42.770 12.126 49.853 1.00 0.00 C ATOM 614 OG1 THR B 24 -42.776 13.402 49.221 1.00 0.00 O ATOM 615 CG2 THR B 24 -44.240 11.738 50.030 1.00 0.00 C ATOM 0 H THR B 24 -40.405 12.639 49.730 1.00 0.00 H new ATOM 0 HA THR B 24 -42.251 12.874 51.875 1.00 0.00 H new ATOM 0 HB THR B 24 -42.284 11.355 49.255 1.00 0.00 H new ATOM 0 HG1 THR B 24 -43.326 13.363 48.411 1.00 0.00 H new ATOM 0 HG21 THR B 24 -44.742 11.765 49.063 1.00 0.00 H new ATOM 0 HG22 THR B 24 -44.303 10.732 50.444 1.00 0.00 H new ATOM 0 HG23 THR B 24 -44.723 12.441 50.709 1.00 0.00 H new ATOM 623 N ASN B 25 -41.300 9.727 51.476 1.00 0.00 N ATOM 624 CA ASN B 25 -41.271 8.361 52.068 1.00 0.00 C ATOM 625 C ASN B 25 -42.566 7.586 51.653 1.00 0.00 C ATOM 626 O ASN B 25 -43.501 7.454 52.442 1.00 0.00 O ATOM 627 CB ASN B 25 -40.836 8.417 53.567 1.00 0.00 C ATOM 628 CG ASN B 25 -40.469 7.101 54.236 1.00 0.00 C ATOM 629 OD1 ASN B 25 -41.231 6.549 55.022 1.00 0.00 O ATOM 630 ND2 ASN B 25 -39.302 6.573 53.982 1.00 0.00 N ATOM 0 H ASN B 25 -40.698 9.809 50.657 1.00 0.00 H new ATOM 0 HA ASN B 25 -40.485 7.727 51.657 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -39.979 9.086 53.645 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -41.647 8.871 54.137 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -39.026 5.703 54.437 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -38.667 7.031 53.328 1.00 0.00 H new ATOM 637 N ALA B 26 -42.656 7.165 50.379 1.00 0.00 N ATOM 638 CA ALA B 26 -43.904 6.624 49.780 1.00 0.00 C ATOM 639 C ALA B 26 -43.605 5.617 48.632 1.00 0.00 C ATOM 640 O ALA B 26 -42.821 5.906 47.726 1.00 0.00 O ATOM 641 CB ALA B 26 -44.724 7.808 49.215 1.00 0.00 C ATOM 0 H ALA B 26 -41.869 7.187 49.730 1.00 0.00 H new ATOM 0 HA ALA B 26 -44.458 6.092 50.553 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -45.646 7.433 48.770 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -44.966 8.500 50.021 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -44.139 8.326 48.455 1.00 0.00 H new ATOM 647 N SER B 27 -44.292 4.467 48.610 1.00 0.00 N ATOM 648 CA SER B 27 -44.397 3.641 47.375 1.00 0.00 C ATOM 649 C SER B 27 -45.575 4.081 46.462 1.00 0.00 C ATOM 650 O SER B 27 -46.716 4.226 46.921 1.00 0.00 O ATOM 651 CB SER B 27 -44.532 2.162 47.765 1.00 0.00 C ATOM 652 OG SER B 27 -45.767 1.864 48.431 1.00 0.00 O ATOM 0 H SER B 27 -44.782 4.081 49.417 1.00 0.00 H new ATOM 0 HA SER B 27 -43.487 3.788 46.793 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.453 1.548 46.868 1.00 0.00 H new ATOM 0 HB3 SER B 27 -43.701 1.887 48.414 1.00 0.00 H new ATOM 0 HG SER B 27 -46.432 1.573 47.772 1.00 0.00 H new ATOM 658 N GLN B 28 -45.290 4.245 45.166 1.00 0.00 N ATOM 659 CA GLN B 28 -46.347 4.396 44.133 1.00 0.00 C ATOM 660 C GLN B 28 -46.092 3.502 42.873 1.00 0.00 C ATOM 661 O GLN B 28 -44.984 3.028 42.608 1.00 0.00 O ATOM 662 CB GLN B 28 -46.668 5.904 43.887 1.00 0.00 C ATOM 663 CG GLN B 28 -45.849 6.618 42.779 1.00 0.00 C ATOM 664 CD GLN B 28 -46.307 8.000 42.291 1.00 0.00 C ATOM 665 OE1 GLN B 28 -45.527 8.929 42.140 1.00 0.00 O ATOM 666 NE2 GLN B 28 -47.535 8.153 41.871 1.00 0.00 N ATOM 0 H GLN B 28 -44.340 4.278 44.797 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.285 3.985 44.507 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -47.726 5.991 43.638 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -46.516 6.442 44.823 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -44.825 6.718 43.139 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.819 5.956 41.913 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -48.210 7.396 41.982 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -47.818 9.029 41.432 1.00 0.00 H new ATOM 675 N TRP B 29 -47.146 3.284 42.084 1.00 0.00 N ATOM 676 CA TRP B 29 -47.014 2.634 40.740 1.00 0.00 C ATOM 677 C TRP B 29 -47.235 3.589 39.511 1.00 0.00 C ATOM 678 O TRP B 29 -47.466 3.106 38.398 1.00 0.00 O ATOM 679 CB TRP B 29 -47.807 1.288 40.748 1.00 0.00 C ATOM 680 CG TRP B 29 -49.334 1.232 40.624 1.00 0.00 C ATOM 681 CD1 TRP B 29 -50.239 2.303 40.671 1.00 0.00 C ATOM 682 CD2 TRP B 29 -50.122 0.091 40.535 1.00 0.00 C ATOM 683 NE1 TRP B 29 -51.570 1.870 40.597 1.00 0.00 N ATOM 684 CE2 TRP B 29 -51.477 0.498 40.485 1.00 0.00 C ATOM 685 CE3 TRP B 29 -49.794 -1.290 40.592 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -52.512 -0.466 40.457 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -50.832 -2.225 40.565 1.00 0.00 C ATOM 688 CH2 TRP B 29 -52.170 -1.820 40.482 1.00 0.00 C ATOM 0 H TRP B 29 -48.102 3.539 42.333 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.968 2.379 40.569 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.405 0.684 39.934 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.551 0.780 41.678 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.945 3.339 40.754 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -52.416 2.440 40.621 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -48.765 -1.610 40.655 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -53.547 -0.161 40.417 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -50.598 -3.279 40.609 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -52.949 -2.566 40.437 1.00 0.00 H new ATOM 699 N GLU B 30 -47.125 4.931 39.673 1.00 0.00 N ATOM 700 CA GLU B 30 -47.501 5.894 38.605 1.00 0.00 C ATOM 701 C GLU B 30 -46.893 7.338 38.607 1.00 0.00 C ATOM 702 O GLU B 30 -47.556 8.284 38.179 1.00 0.00 O ATOM 703 CB GLU B 30 -49.069 5.922 38.499 1.00 0.00 C ATOM 704 CG GLU B 30 -49.898 6.637 39.619 1.00 0.00 C ATOM 705 CD GLU B 30 -50.022 5.954 40.975 1.00 0.00 C ATOM 706 OE1 GLU B 30 -48.991 5.710 41.637 1.00 0.00 O ATOM 707 OE2 GLU B 30 -51.155 5.659 41.394 1.00 0.00 O ATOM 0 H GLU B 30 -46.781 5.370 40.527 1.00 0.00 H new ATOM 0 HA GLU B 30 -47.014 5.496 37.715 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -49.325 6.393 37.550 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -49.413 4.889 38.445 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -49.457 7.621 39.782 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -50.905 6.798 39.235 1.00 0.00 H new ATOM 714 N ARG B 31 -45.610 7.500 38.953 1.00 0.00 N ATOM 715 CA ARG B 31 -44.803 8.739 38.736 1.00 0.00 C ATOM 716 C ARG B 31 -45.297 10.153 39.269 1.00 0.00 C ATOM 717 O ARG B 31 -46.484 10.472 39.158 1.00 0.00 O ATOM 718 CB ARG B 31 -44.112 8.665 37.329 1.00 0.00 C ATOM 719 CG ARG B 31 -44.280 9.789 36.274 1.00 0.00 C ATOM 720 CD ARG B 31 -45.483 9.704 35.309 1.00 0.00 C ATOM 721 NE ARG B 31 -46.754 9.804 36.071 1.00 0.00 N ATOM 722 CZ ARG B 31 -47.726 10.685 35.935 1.00 0.00 C ATOM 723 NH1 ARG B 31 -47.819 11.524 34.947 1.00 0.00 N ATOM 724 NH2 ARG B 31 -48.636 10.694 36.850 1.00 0.00 N ATOM 0 H ARG B 31 -45.075 6.759 39.406 1.00 0.00 H new ATOM 0 HA ARG B 31 -44.038 8.714 39.512 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -43.042 8.559 37.509 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -44.450 7.740 36.861 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -44.345 10.739 36.805 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -43.371 9.821 35.673 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -45.427 10.506 34.573 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -45.452 8.764 34.759 1.00 0.00 H new ATOM 0 HE ARG B 31 -46.893 9.099 36.795 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -47.111 11.528 34.213 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -48.600 12.179 34.906 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -48.581 10.039 37.630 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -49.410 11.356 36.793 1.00 0.00 H new ATOM 738 N PRO B 32 -44.427 11.084 39.776 1.00 0.00 N ATOM 739 CA PRO B 32 -44.878 12.430 40.273 1.00 0.00 C ATOM 740 C PRO B 32 -45.399 13.482 39.219 1.00 0.00 C ATOM 741 O PRO B 32 -45.684 14.626 39.575 1.00 0.00 O ATOM 742 CB PRO B 32 -43.608 12.965 40.986 1.00 0.00 C ATOM 743 CG PRO B 32 -42.456 12.177 40.391 1.00 0.00 C ATOM 744 CD PRO B 32 -42.989 10.830 39.943 1.00 0.00 C ATOM 0 HA PRO B 32 -45.771 12.298 40.884 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.482 14.034 40.817 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -43.670 12.818 42.064 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -42.023 12.715 39.548 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -41.663 12.047 41.128 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -42.526 10.502 39.012 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.799 10.054 40.684 1.00 0.00 H new ATOM 752 N SER B 33 -45.484 13.119 37.928 1.00 0.00 N ATOM 753 CA SER B 33 -45.803 14.045 36.791 1.00 0.00 C ATOM 754 C SER B 33 -44.645 14.964 36.277 1.00 0.00 C ATOM 755 O SER B 33 -44.419 14.999 35.064 1.00 0.00 O ATOM 756 CB SER B 33 -47.156 14.791 36.908 1.00 0.00 C ATOM 757 OG SER B 33 -48.221 13.900 37.248 1.00 0.00 O ATOM 0 H SER B 33 -45.332 12.157 37.623 1.00 0.00 H new ATOM 0 HA SER B 33 -45.930 13.323 35.984 1.00 0.00 H new ATOM 0 HB2 SER B 33 -47.078 15.571 37.665 1.00 0.00 H new ATOM 0 HB3 SER B 33 -47.382 15.286 35.963 1.00 0.00 H new ATOM 0 HG SER B 33 -49.059 14.403 37.315 1.00 0.00 H new ATOM 763 N GLY B 34 -43.892 15.666 37.149 1.00 0.00 N ATOM 764 CA GLY B 34 -42.718 16.503 36.734 1.00 0.00 C ATOM 765 C GLY B 34 -41.471 15.727 36.239 1.00 0.00 C ATOM 766 O GLY B 34 -40.544 15.452 36.999 1.00 0.00 O ATOM 0 H GLY B 34 -44.068 15.677 38.154 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -43.040 17.177 35.941 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -42.423 17.124 37.580 1.00 0.00 H new ATOM 770 N ASN B 35 -41.521 15.297 34.973 1.00 0.00 N ATOM 771 CA ASN B 35 -40.563 14.298 34.399 1.00 0.00 C ATOM 772 C ASN B 35 -39.954 14.715 33.013 1.00 0.00 C ATOM 773 O ASN B 35 -38.744 14.552 32.812 1.00 0.00 O ATOM 774 CB ASN B 35 -41.270 12.909 34.328 1.00 0.00 C ATOM 775 CG ASN B 35 -41.349 12.088 35.619 1.00 0.00 C ATOM 776 OD1 ASN B 35 -40.773 11.018 35.743 1.00 0.00 O ATOM 777 ND2 ASN B 35 -42.081 12.502 36.616 1.00 0.00 N ATOM 0 H ASN B 35 -42.220 15.621 34.304 1.00 0.00 H new ATOM 0 HA ASN B 35 -39.702 14.247 35.065 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -42.286 13.067 33.967 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -40.756 12.308 33.578 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -42.157 11.937 37.462 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -42.577 13.391 36.550 1.00 0.00 H new ATOM 784 N SER B 36 -40.750 15.226 32.052 1.00 0.00 N ATOM 785 CA SER B 36 -40.245 15.665 30.712 1.00 0.00 C ATOM 786 C SER B 36 -39.425 16.996 30.608 1.00 0.00 C ATOM 787 O SER B 36 -38.796 17.213 29.569 1.00 0.00 O ATOM 788 CB SER B 36 -41.447 15.665 29.740 1.00 0.00 C ATOM 789 OG SER B 36 -41.005 15.812 28.388 1.00 0.00 O ATOM 0 H SER B 36 -41.756 15.350 32.170 1.00 0.00 H new ATOM 0 HA SER B 36 -39.474 14.940 30.452 1.00 0.00 H new ATOM 0 HB2 SER B 36 -42.006 14.735 29.846 1.00 0.00 H new ATOM 0 HB3 SER B 36 -42.127 16.477 29.996 1.00 0.00 H new ATOM 0 HG SER B 36 -40.153 16.296 28.373 1.00 0.00 H new ATOM 795 N SER B 37 -39.346 17.849 31.644 1.00 0.00 N ATOM 796 CA SER B 37 -38.240 18.839 31.766 1.00 0.00 C ATOM 797 C SER B 37 -36.891 18.144 32.109 1.00 0.00 C ATOM 798 O SER B 37 -36.737 17.472 33.138 1.00 0.00 O ATOM 799 CB SER B 37 -38.583 19.925 32.795 1.00 0.00 C ATOM 800 OG SER B 37 -38.948 19.391 34.074 1.00 0.00 O ATOM 0 H SER B 37 -40.023 17.880 32.406 1.00 0.00 H new ATOM 0 HA SER B 37 -38.121 19.323 30.797 1.00 0.00 H new ATOM 0 HB2 SER B 37 -37.726 20.587 32.915 1.00 0.00 H new ATOM 0 HB3 SER B 37 -39.404 20.533 32.414 1.00 0.00 H new ATOM 0 HG SER B 37 -38.416 18.589 34.258 1.00 0.00 H new ATOM 806 N SER B 38 -35.957 18.235 31.164 1.00 0.00 N ATOM 807 CA SER B 38 -34.747 17.389 31.147 1.00 0.00 C ATOM 808 C SER B 38 -33.520 18.180 30.619 1.00 0.00 C ATOM 809 O SER B 38 -32.685 18.626 31.410 1.00 0.00 O ATOM 810 CB SER B 38 -35.094 16.065 30.395 1.00 0.00 C ATOM 811 OG SER B 38 -34.179 15.033 30.772 1.00 0.00 O ATOM 0 H SER B 38 -36.010 18.893 30.387 1.00 0.00 H new ATOM 0 HA SER B 38 -34.436 17.098 32.150 1.00 0.00 H new ATOM 0 HB2 SER B 38 -36.114 15.761 30.629 1.00 0.00 H new ATOM 0 HB3 SER B 38 -35.049 16.227 29.318 1.00 0.00 H new ATOM 0 HG SER B 38 -33.280 15.261 30.455 1.00 0.00 H new ATOM 817 N GLY B 39 -33.350 18.276 29.294 1.00 0.00 N ATOM 818 CA GLY B 39 -32.114 17.719 28.711 1.00 0.00 C ATOM 819 C GLY B 39 -32.273 16.205 28.481 1.00 0.00 C ATOM 820 O GLY B 39 -32.092 15.420 29.441 1.00 0.00 O ATOM 821 OXT GLY B 39 -32.678 15.801 27.373 1.00 0.00 O ATOM 0 H GLY B 39 -34.003 18.704 28.638 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -31.892 18.217 27.767 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -31.272 17.907 29.377 1.00 0.00 H new TER 825 GLY B 39