USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=21 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: A 1 LYS NZ :NH3+ -148:sc= 0.195 (180deg=-0.619) USER MOD Set 1.2: A 3 SER OG : rot -68:sc= 1.2 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.48!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -118:sc= 0.047 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ -137:sc= 0.983 (180deg=0.0739) USER MOD Single : B 8 LYS NZ :NH3+ 155:sc= 1.86 (180deg=1.08) USER MOD Single : B 10 MET CE :methyl 166:sc= 0 (180deg=-0.395) USER MOD Single : B 11 SER OG : rot -24:sc= 1.21 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot -29:sc= 0.95 USER MOD Single : B 18 TYR OH : rot 180:sc= -0.191 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc=-0.00112 X(o=-0.0011,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0.464 K(o=0.46,f=-2.6!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot -10:sc= 0.562 USER MOD Single : B 28 GLN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.217 K(o=0.22,f=-0.72!) USER MOD Single : B 36 SER OG : rot -65:sc= 1.18 USER MOD Single : B 37 SER OG : rot 12:sc= 0.667 USER MOD Single : B 38 SER OG : rot 44:sc= 0.647 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -41.243 4.520 62.360 1.00 0.00 N ATOM 2 CA LYS A 1 -42.556 3.921 61.977 1.00 0.00 C ATOM 3 C LYS A 1 -42.352 2.713 61.001 1.00 0.00 C ATOM 4 O LYS A 1 -41.814 2.910 59.910 1.00 0.00 O ATOM 5 CB LYS A 1 -43.456 5.054 61.389 1.00 0.00 C ATOM 6 CG LYS A 1 -44.900 4.666 60.938 1.00 0.00 C ATOM 7 CD LYS A 1 -45.057 4.451 59.410 1.00 0.00 C ATOM 8 CE LYS A 1 -46.494 4.049 59.006 1.00 0.00 C ATOM 9 NZ LYS A 1 -46.637 4.002 57.518 1.00 0.00 N ATOM 0 H1 LYS A 1 -41.401 5.319 63.007 1.00 0.00 H new ATOM 0 H2 LYS A 1 -40.659 3.802 62.833 1.00 0.00 H new ATOM 0 H3 LYS A 1 -40.753 4.857 61.507 1.00 0.00 H new ATOM 0 HA LYS A 1 -43.064 3.505 62.847 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -43.538 5.842 62.138 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -42.939 5.483 60.530 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -45.196 3.752 61.454 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -45.589 5.448 61.255 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -44.781 5.367 58.889 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -44.363 3.677 59.083 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -46.736 3.074 59.429 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -47.206 4.762 59.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -47.606 4.270 57.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -45.964 4.665 57.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -46.440 3.038 57.181 1.00 0.00 H new ATOM 25 N VAL A 2 -42.801 1.495 61.359 1.00 0.00 N ATOM 26 CA VAL A 2 -42.868 0.343 60.398 1.00 0.00 C ATOM 27 C VAL A 2 -44.017 0.520 59.334 1.00 0.00 C ATOM 28 O VAL A 2 -45.068 1.105 59.627 1.00 0.00 O ATOM 29 CB VAL A 2 -42.921 -0.997 61.216 1.00 0.00 C ATOM 30 CG1 VAL A 2 -44.240 -1.270 61.979 1.00 0.00 C ATOM 31 CG2 VAL A 2 -42.603 -2.240 60.356 1.00 0.00 C ATOM 0 H VAL A 2 -43.125 1.269 62.299 1.00 0.00 H new ATOM 0 HA VAL A 2 -41.965 0.310 59.788 1.00 0.00 H new ATOM 0 HB VAL A 2 -42.141 -0.834 61.960 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -44.165 -2.220 62.508 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -44.418 -0.469 62.696 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -45.068 -1.313 61.271 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -42.655 -3.135 60.976 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -43.328 -2.317 59.546 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -41.601 -2.146 59.938 1.00 0.00 H new ATOM 41 N SER A 3 -43.798 0.081 58.083 1.00 0.00 N ATOM 42 CA SER A 3 -44.779 0.279 56.979 1.00 0.00 C ATOM 43 C SER A 3 -44.756 -0.860 55.915 1.00 0.00 C ATOM 44 O SER A 3 -43.695 -1.281 55.450 1.00 0.00 O ATOM 45 CB SER A 3 -44.487 1.641 56.292 1.00 0.00 C ATOM 46 OG SER A 3 -45.613 2.078 55.521 1.00 0.00 O ATOM 0 H SER A 3 -42.952 -0.415 57.801 1.00 0.00 H new ATOM 0 HA SER A 3 -45.774 0.264 57.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 -44.246 2.389 57.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 -43.614 1.547 55.646 1.00 0.00 H new ATOM 0 HG SER A 3 -45.737 1.479 54.755 1.00 0.00 H new ATOM 52 N VAL A 4 -45.943 -1.244 55.420 1.00 0.00 N ATOM 53 CA VAL A 4 -46.088 -1.791 54.035 1.00 0.00 C ATOM 54 C VAL A 4 -45.930 -0.660 52.944 1.00 0.00 C ATOM 55 O VAL A 4 -46.175 0.529 53.204 1.00 0.00 O ATOM 56 CB VAL A 4 -47.425 -2.618 53.961 1.00 0.00 C ATOM 57 CG1 VAL A 4 -48.730 -1.785 53.972 1.00 0.00 C ATOM 58 CG2 VAL A 4 -47.484 -3.574 52.748 1.00 0.00 C ATOM 0 H VAL A 4 -46.818 -1.192 55.942 1.00 0.00 H new ATOM 0 HA VAL A 4 -45.278 -2.482 53.802 1.00 0.00 H new ATOM 0 HB VAL A 4 -47.385 -3.185 54.891 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -49.589 -2.454 53.917 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -48.782 -1.202 54.892 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -48.739 -1.112 53.115 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -48.431 -4.114 52.756 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -47.403 -2.998 51.826 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -46.660 -4.286 52.805 1.00 0.00 H new ATOM 68 N VAL A 5 -45.531 -1.041 51.719 1.00 0.00 N ATOM 69 CA VAL A 5 -45.449 -0.103 50.553 1.00 0.00 C ATOM 70 C VAL A 5 -46.899 0.156 49.998 1.00 0.00 C ATOM 71 O VAL A 5 -47.648 -0.770 49.666 1.00 0.00 O ATOM 72 CB VAL A 5 -44.462 -0.645 49.456 1.00 0.00 C ATOM 73 CG1 VAL A 5 -44.238 0.324 48.271 1.00 0.00 C ATOM 74 CG2 VAL A 5 -43.043 -0.999 49.972 1.00 0.00 C ATOM 0 H VAL A 5 -45.255 -1.997 51.495 1.00 0.00 H new ATOM 0 HA VAL A 5 -45.036 0.853 50.876 1.00 0.00 H new ATOM 0 HB VAL A 5 -44.986 -1.546 49.135 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -43.545 -0.125 47.560 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -45.189 0.520 47.776 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -43.822 1.261 48.641 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -42.435 -1.364 49.144 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -42.579 -0.110 50.399 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -43.116 -1.772 50.736 1.00 0.00 H new ATOM 84 N ARG A 6 -47.302 1.432 49.945 1.00 0.00 N ATOM 85 CA ARG A 6 -48.697 1.833 49.609 1.00 0.00 C ATOM 86 C ARG A 6 -48.866 2.334 48.137 1.00 0.00 C ATOM 87 O ARG A 6 -48.666 3.504 47.807 1.00 0.00 O ATOM 88 CB ARG A 6 -49.206 2.829 50.687 1.00 0.00 C ATOM 89 CG ARG A 6 -50.713 3.217 50.626 1.00 0.00 C ATOM 90 CD ARG A 6 -51.738 2.097 50.944 1.00 0.00 C ATOM 91 NE ARG A 6 -52.383 1.556 49.709 1.00 0.00 N ATOM 92 CZ ARG A 6 -52.216 0.325 49.198 1.00 0.00 C ATOM 93 NH1 ARG A 6 -51.486 -0.613 49.735 1.00 0.00 N ATOM 94 NH2 ARG A 6 -52.794 0.036 48.080 1.00 0.00 N ATOM 0 H ARG A 6 -46.683 2.221 50.131 1.00 0.00 H new ATOM 0 HA ARG A 6 -49.335 0.950 49.637 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -49.005 2.400 51.669 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -48.616 3.743 50.611 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -50.881 4.038 51.323 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -50.925 3.598 49.627 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -51.237 1.288 51.475 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -52.506 2.488 51.612 1.00 0.00 H new ATOM 0 HE ARG A 6 -53.011 2.182 49.205 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -50.990 -0.436 50.608 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -51.411 -1.524 49.282 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -53.363 0.736 47.604 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -52.682 -0.892 47.673 1.00 0.00 H new HETATM 108 N TPO A 7 -49.350 1.435 47.272 1.00 0.00 N HETATM 109 CA TPO A 7 -49.998 1.785 45.968 1.00 0.00 C HETATM 110 CB TPO A 7 -50.352 0.451 45.195 1.00 0.00 C HETATM 111 CG2 TPO A 7 -51.503 0.509 44.181 1.00 0.00 C HETATM 112 OG1 TPO A 7 -50.662 -0.680 46.063 1.00 0.00 O HETATM 113 P TPO A 7 -49.679 -1.960 46.151 1.00 0.00 P HETATM 114 O1P TPO A 7 -50.244 -3.007 47.128 1.00 0.00 O HETATM 115 O2P TPO A 7 -49.580 -2.628 44.774 1.00 0.00 O HETATM 116 O3P TPO A 7 -48.221 -1.518 46.630 1.00 0.00 O HETATM 117 C TPO A 7 -51.196 2.814 46.123 1.00 0.00 C HETATM 118 O TPO A 7 -52.096 2.523 46.914 1.00 0.00 O HETATM 0 HG23 TPO A 7 -52.422 0.801 44.690 1.00 0.00 H new HETATM 0 HG22 TPO A 7 -51.269 1.239 43.406 1.00 0.00 H new HETATM 0 HG21 TPO A 7 -51.637 -0.472 43.726 1.00 0.00 H new HETATM 0 HB TPO A 7 -49.413 0.316 44.657 1.00 0.00 H new HETATM 0 HA TPO A 7 -49.293 2.339 45.348 1.00 0.00 H new HETATM 0 H TPO A 7 -49.207 0.457 47.524 1.00 0.00 H new ATOM 125 N PRO A 8 -51.285 3.994 45.432 1.00 0.00 N ATOM 126 CA PRO A 8 -52.352 5.009 45.692 1.00 0.00 C ATOM 127 C PRO A 8 -53.854 4.527 45.655 1.00 0.00 C ATOM 128 O PRO A 8 -54.516 4.707 46.682 1.00 0.00 O ATOM 129 CB PRO A 8 -51.940 6.191 44.783 1.00 0.00 C ATOM 130 CG PRO A 8 -50.867 5.663 43.828 1.00 0.00 C ATOM 131 CD PRO A 8 -50.201 4.534 44.603 1.00 0.00 C ATOM 0 HA PRO A 8 -52.389 5.303 46.741 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -52.799 6.569 44.228 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -51.554 7.019 45.377 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -51.305 5.303 42.897 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -50.151 6.441 43.564 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -49.793 3.776 43.935 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -49.375 4.900 45.213 1.00 0.00 H new ATOM 139 N PRO A 9 -54.416 3.857 44.604 1.00 0.00 N ATOM 140 CA PRO A 9 -55.683 3.084 44.732 1.00 0.00 C ATOM 141 C PRO A 9 -55.432 1.631 45.306 1.00 0.00 C ATOM 142 O PRO A 9 -54.955 1.463 46.434 1.00 0.00 O ATOM 143 CB PRO A 9 -56.184 3.251 43.273 1.00 0.00 C ATOM 144 CG PRO A 9 -54.917 3.150 42.410 1.00 0.00 C ATOM 145 CD PRO A 9 -53.843 3.843 43.247 1.00 0.00 C ATOM 0 HA PRO A 9 -56.432 3.403 45.457 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -56.904 2.476 43.011 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -56.683 4.210 43.133 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.655 2.112 42.205 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -55.050 3.641 41.446 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.898 3.300 43.216 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -53.642 4.852 42.886 1.00 0.00 H new ATOM 153 N LYS A 10 -55.742 0.574 44.540 1.00 0.00 N ATOM 154 CA LYS A 10 -55.269 -0.815 44.808 1.00 0.00 C ATOM 155 C LYS A 10 -55.058 -1.615 43.467 1.00 0.00 C ATOM 156 O LYS A 10 -55.365 -1.139 42.368 1.00 0.00 O ATOM 157 CB LYS A 10 -56.213 -1.502 45.852 1.00 0.00 C ATOM 158 CG LYS A 10 -57.621 -1.924 45.358 1.00 0.00 C ATOM 159 CD LYS A 10 -58.387 -2.788 46.390 1.00 0.00 C ATOM 160 CE LYS A 10 -59.555 -3.600 45.792 1.00 0.00 C ATOM 161 NZ LYS A 10 -59.031 -4.772 45.038 1.00 0.00 N ATOM 0 H LYS A 10 -56.330 0.647 43.710 1.00 0.00 H new ATOM 0 HA LYS A 10 -54.280 -0.796 45.266 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -55.708 -2.390 46.233 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -56.339 -0.821 46.694 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -58.205 -1.031 45.134 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -57.522 -2.482 44.427 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -57.686 -3.476 46.863 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -58.775 -2.138 47.175 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -60.219 -3.937 46.588 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -60.147 -2.967 45.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -59.811 -5.234 44.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -58.313 -4.454 44.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -58.603 -5.449 45.702 1.00 0.00 H new ATOM 175 N SER A 11 -54.594 -2.874 43.561 1.00 0.00 N ATOM 176 CA SER A 11 -54.678 -3.842 42.427 1.00 0.00 C ATOM 177 C SER A 11 -56.161 -4.233 42.031 1.00 0.00 C ATOM 178 O SER A 11 -56.962 -4.463 42.949 1.00 0.00 O ATOM 179 CB SER A 11 -53.854 -5.089 42.824 1.00 0.00 C ATOM 180 OG SER A 11 -53.731 -5.995 41.726 1.00 0.00 O ATOM 0 H SER A 11 -54.157 -3.254 44.401 1.00 0.00 H new ATOM 0 HA SER A 11 -54.273 -3.369 41.532 1.00 0.00 H new ATOM 0 HB2 SER A 11 -52.863 -4.782 43.159 1.00 0.00 H new ATOM 0 HB3 SER A 11 -54.333 -5.593 43.664 1.00 0.00 H new ATOM 0 HG SER A 11 -53.204 -6.774 42.002 1.00 0.00 H new ATOM 186 N PRO A 12 -56.578 -4.348 40.732 1.00 0.00 N ATOM 187 CA PRO A 12 -58.004 -4.638 40.361 1.00 0.00 C ATOM 188 C PRO A 12 -58.526 -6.121 40.484 1.00 0.00 C ATOM 189 O PRO A 12 -59.205 -6.647 39.600 1.00 0.00 O ATOM 190 CB PRO A 12 -58.046 -4.046 38.935 1.00 0.00 C ATOM 191 CG PRO A 12 -56.642 -4.269 38.375 1.00 0.00 C ATOM 192 CD PRO A 12 -55.731 -4.003 39.571 1.00 0.00 C ATOM 0 HA PRO A 12 -58.707 -4.205 41.072 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -58.799 -4.543 38.323 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -58.300 -2.986 38.955 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -56.519 -5.283 37.995 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -56.428 -3.591 37.549 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -54.831 -4.616 39.534 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -55.407 -2.963 39.605 1.00 0.00 H new ATOM 200 N SER A 13 -58.278 -6.741 41.642 1.00 0.00 N ATOM 201 CA SER A 13 -59.127 -7.826 42.192 1.00 0.00 C ATOM 202 C SER A 13 -59.613 -7.326 43.582 1.00 0.00 C ATOM 203 O SER A 13 -58.993 -7.638 44.626 1.00 0.00 O ATOM 204 CB SER A 13 -58.305 -9.135 42.233 1.00 0.00 C ATOM 205 OG SER A 13 -58.961 -10.098 43.056 1.00 0.00 O ATOM 206 OXT SER A 13 -60.563 -6.511 43.643 1.00 0.00 O ATOM 0 H SER A 13 -57.481 -6.510 42.234 1.00 0.00 H new ATOM 0 HA SER A 13 -60.002 -8.054 41.584 1.00 0.00 H new ATOM 0 HB2 SER A 13 -58.183 -9.529 41.224 1.00 0.00 H new ATOM 0 HB3 SER A 13 -57.306 -8.935 42.620 1.00 0.00 H new ATOM 0 HG SER A 13 -58.435 -10.924 43.075 1.00 0.00 H new TER 212 SER A 13 ATOM 213 N LYS B 1 -32.001 10.792 33.223 1.00 0.00 N ATOM 214 CA LYS B 1 -32.277 9.864 34.364 1.00 0.00 C ATOM 215 C LYS B 1 -33.442 10.364 35.309 1.00 0.00 C ATOM 216 O LYS B 1 -33.997 11.442 35.083 1.00 0.00 O ATOM 217 CB LYS B 1 -30.913 9.468 35.026 1.00 0.00 C ATOM 218 CG LYS B 1 -30.062 10.485 35.851 1.00 0.00 C ATOM 219 CD LYS B 1 -30.722 10.902 37.182 1.00 0.00 C ATOM 220 CE LYS B 1 -29.829 11.630 38.207 1.00 0.00 C ATOM 221 NZ LYS B 1 -30.640 11.838 39.450 1.00 0.00 N ATOM 0 H1 LYS B 1 -32.181 10.300 32.324 1.00 0.00 H new ATOM 0 H2 LYS B 1 -32.622 11.623 33.293 1.00 0.00 H new ATOM 0 H3 LYS B 1 -31.008 11.098 33.257 1.00 0.00 H new ATOM 0 HA LYS B 1 -32.712 8.929 34.012 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -31.118 8.624 35.685 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -30.272 9.099 34.226 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -29.087 10.045 36.060 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -29.887 11.375 35.247 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -31.570 11.547 36.952 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -31.123 10.006 37.657 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -28.938 11.041 38.425 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -29.489 12.585 37.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -30.479 12.799 39.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -31.649 11.716 39.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -30.356 11.144 40.170 1.00 0.00 H new ATOM 237 N LEU B 2 -33.833 9.597 36.344 1.00 0.00 N ATOM 238 CA LEU B 2 -34.906 10.002 37.315 1.00 0.00 C ATOM 239 C LEU B 2 -34.525 11.109 38.390 1.00 0.00 C ATOM 240 O LEU B 2 -33.339 11.433 38.525 1.00 0.00 O ATOM 241 CB LEU B 2 -35.398 8.677 37.972 1.00 0.00 C ATOM 242 CG LEU B 2 -34.438 8.064 39.030 1.00 0.00 C ATOM 243 CD1 LEU B 2 -34.894 8.459 40.433 1.00 0.00 C ATOM 244 CD2 LEU B 2 -34.369 6.532 38.933 1.00 0.00 C ATOM 0 H LEU B 2 -33.427 8.683 36.543 1.00 0.00 H new ATOM 0 HA LEU B 2 -35.688 10.521 36.761 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -36.363 8.861 38.444 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -35.564 7.940 37.186 1.00 0.00 H new ATOM 0 HG LEU B 2 -33.441 8.458 38.830 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -34.218 8.027 41.171 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -34.886 9.545 40.526 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -35.904 8.088 40.605 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -33.686 6.150 39.692 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -35.362 6.112 39.094 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -34.010 6.246 37.944 1.00 0.00 H new ATOM 256 N PRO B 3 -35.448 11.684 39.218 1.00 0.00 N ATOM 257 CA PRO B 3 -35.098 12.802 40.138 1.00 0.00 C ATOM 258 C PRO B 3 -34.229 12.573 41.445 1.00 0.00 C ATOM 259 O PRO B 3 -34.152 11.454 41.976 1.00 0.00 O ATOM 260 CB PRO B 3 -36.472 13.460 40.361 1.00 0.00 C ATOM 261 CG PRO B 3 -37.415 12.924 39.296 1.00 0.00 C ATOM 262 CD PRO B 3 -36.911 11.506 39.083 1.00 0.00 C ATOM 0 HA PRO B 3 -34.331 13.421 39.673 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -36.849 13.231 41.358 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -36.393 14.545 40.292 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -38.452 12.939 39.630 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -37.367 13.512 38.380 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -37.309 10.814 39.825 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -37.187 11.116 38.103 1.00 0.00 H new ATOM 270 N PRO B 4 -33.524 13.614 41.994 1.00 0.00 N ATOM 271 CA PRO B 4 -32.685 13.471 43.215 1.00 0.00 C ATOM 272 C PRO B 4 -33.516 13.283 44.528 1.00 0.00 C ATOM 273 O PRO B 4 -34.467 14.020 44.800 1.00 0.00 O ATOM 274 CB PRO B 4 -31.862 14.773 43.170 1.00 0.00 C ATOM 275 CG PRO B 4 -32.791 15.814 42.541 1.00 0.00 C ATOM 276 CD PRO B 4 -33.676 15.025 41.574 1.00 0.00 C ATOM 0 HA PRO B 4 -32.070 12.571 43.227 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -31.550 15.076 44.169 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -30.956 14.646 42.578 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -33.389 16.319 43.300 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -32.224 16.584 42.018 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -34.716 15.347 41.636 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -33.359 15.167 40.541 1.00 0.00 H new ATOM 284 N GLY B 5 -33.170 12.252 45.306 1.00 0.00 N ATOM 285 CA GLY B 5 -34.032 11.787 46.430 1.00 0.00 C ATOM 286 C GLY B 5 -35.145 10.760 46.131 1.00 0.00 C ATOM 287 O GLY B 5 -36.123 10.736 46.879 1.00 0.00 O ATOM 0 H GLY B 5 -32.308 11.718 45.190 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -33.381 11.357 47.191 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -34.502 12.665 46.872 1.00 0.00 H new ATOM 291 N TRP B 6 -35.005 9.887 45.124 1.00 0.00 N ATOM 292 CA TRP B 6 -35.966 8.791 44.857 1.00 0.00 C ATOM 293 C TRP B 6 -35.464 7.343 45.150 1.00 0.00 C ATOM 294 O TRP B 6 -34.291 7.104 45.448 1.00 0.00 O ATOM 295 CB TRP B 6 -36.213 8.999 43.341 1.00 0.00 C ATOM 296 CG TRP B 6 -37.443 9.818 43.034 1.00 0.00 C ATOM 297 CD1 TRP B 6 -37.433 11.192 42.792 1.00 0.00 C ATOM 298 CD2 TRP B 6 -38.756 9.429 43.014 1.00 0.00 C ATOM 299 NE1 TRP B 6 -38.731 11.700 42.621 1.00 0.00 N ATOM 300 CE2 TRP B 6 -39.533 10.588 42.776 1.00 0.00 C ATOM 301 CE3 TRP B 6 -39.369 8.155 43.152 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -40.925 10.483 42.624 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -40.765 8.114 43.110 1.00 0.00 C ATOM 304 CH2 TRP B 6 -41.534 9.248 42.829 1.00 0.00 C ATOM 0 H TRP B 6 -34.225 9.915 44.468 1.00 0.00 H new ATOM 0 HA TRP B 6 -36.836 8.849 45.511 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -35.343 9.489 42.904 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -36.306 8.025 42.860 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -36.536 11.792 42.742 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -39.013 12.661 42.428 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -38.782 7.258 43.284 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -41.514 11.347 42.352 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -41.266 7.177 43.301 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -42.609 9.165 42.771 1.00 0.00 H new ATOM 315 N GLU B 7 -36.363 6.355 44.963 1.00 0.00 N ATOM 316 CA GLU B 7 -35.986 5.013 44.508 1.00 0.00 C ATOM 317 C GLU B 7 -37.129 4.366 43.652 1.00 0.00 C ATOM 318 O GLU B 7 -38.289 4.782 43.620 1.00 0.00 O ATOM 319 CB GLU B 7 -35.508 4.165 45.735 1.00 0.00 C ATOM 320 CG GLU B 7 -34.309 3.208 45.502 1.00 0.00 C ATOM 321 CD GLU B 7 -34.616 1.884 44.850 1.00 0.00 C ATOM 322 OE1 GLU B 7 -35.219 1.006 45.503 1.00 0.00 O ATOM 323 OE2 GLU B 7 -34.270 1.722 43.664 1.00 0.00 O ATOM 0 H GLU B 7 -37.364 6.470 45.124 1.00 0.00 H new ATOM 0 HA GLU B 7 -35.137 5.061 43.826 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.243 4.851 46.539 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -36.352 3.572 46.087 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -33.574 3.727 44.888 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.838 3.012 46.465 1.00 0.00 H new ATOM 330 N LYS B 8 -36.738 3.340 42.912 1.00 0.00 N ATOM 331 CA LYS B 8 -37.653 2.447 42.147 1.00 0.00 C ATOM 332 C LYS B 8 -37.895 1.090 42.898 1.00 0.00 C ATOM 333 O LYS B 8 -36.973 0.301 43.125 1.00 0.00 O ATOM 334 CB LYS B 8 -37.193 2.393 40.659 1.00 0.00 C ATOM 335 CG LYS B 8 -35.809 1.786 40.331 1.00 0.00 C ATOM 336 CD LYS B 8 -35.836 0.246 40.193 1.00 0.00 C ATOM 337 CE LYS B 8 -34.510 -0.432 40.592 1.00 0.00 C ATOM 338 NZ LYS B 8 -34.419 -0.415 42.091 1.00 0.00 N ATOM 0 H LYS B 8 -35.756 3.083 42.812 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.665 2.849 42.097 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -37.941 1.829 40.102 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -37.207 3.412 40.271 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -35.440 2.221 39.402 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.104 2.062 41.115 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.639 -0.152 40.813 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.071 -0.014 39.161 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.477 -1.456 40.219 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.664 0.095 40.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.805 -1.191 42.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.020 0.493 42.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -35.369 -0.535 42.498 1.00 0.00 H new ATOM 352 N ARG B 9 -39.144 0.803 43.306 1.00 0.00 N ATOM 353 CA ARG B 9 -39.468 -0.421 44.078 1.00 0.00 C ATOM 354 C ARG B 9 -40.086 -1.459 43.096 1.00 0.00 C ATOM 355 O ARG B 9 -40.532 -1.132 41.997 1.00 0.00 O ATOM 356 CB ARG B 9 -40.430 -0.061 45.244 1.00 0.00 C ATOM 357 CG ARG B 9 -39.903 0.927 46.312 1.00 0.00 C ATOM 358 CD ARG B 9 -38.636 0.493 47.073 1.00 0.00 C ATOM 359 NE ARG B 9 -38.464 1.386 48.259 1.00 0.00 N ATOM 360 CZ ARG B 9 -37.312 1.889 48.681 1.00 0.00 C ATOM 361 NH1 ARG B 9 -36.153 1.694 48.114 1.00 0.00 N ATOM 362 NH2 ARG B 9 -37.349 2.638 49.729 1.00 0.00 N ATOM 0 H ARG B 9 -39.949 1.399 43.116 1.00 0.00 H new ATOM 0 HA ARG B 9 -38.576 -0.858 44.527 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -41.340 0.358 44.815 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -40.712 -0.985 45.748 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -39.701 1.881 45.826 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -40.696 1.101 47.039 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -38.723 -0.546 47.391 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.764 0.556 46.422 1.00 0.00 H new ATOM 0 HE ARG B 9 -39.302 1.629 48.787 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -36.086 1.114 47.277 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -35.314 2.121 48.507 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -38.238 2.820 50.195 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -36.489 3.049 50.093 1.00 0.00 H new ATOM 376 N MET B 10 -40.064 -2.723 43.492 1.00 0.00 N ATOM 377 CA MET B 10 -40.485 -3.840 42.611 1.00 0.00 C ATOM 378 C MET B 10 -41.191 -5.004 43.356 1.00 0.00 C ATOM 379 O MET B 10 -40.590 -5.650 44.220 1.00 0.00 O ATOM 380 CB MET B 10 -39.230 -4.343 41.828 1.00 0.00 C ATOM 381 CG MET B 10 -39.475 -4.313 40.320 1.00 0.00 C ATOM 382 SD MET B 10 -40.486 -5.716 39.798 1.00 0.00 S ATOM 383 CE MET B 10 -41.998 -4.893 39.285 1.00 0.00 C ATOM 0 H MET B 10 -39.760 -3.018 44.420 1.00 0.00 H new ATOM 0 HA MET B 10 -41.242 -3.458 41.926 1.00 0.00 H new ATOM 0 HB2 MET B 10 -38.371 -3.719 42.073 1.00 0.00 H new ATOM 0 HB3 MET B 10 -38.986 -5.358 42.140 1.00 0.00 H new ATOM 0 HG2 MET B 10 -39.971 -3.382 40.047 1.00 0.00 H new ATOM 0 HG3 MET B 10 -38.521 -4.332 39.793 1.00 0.00 H new ATOM 0 HE1 MET B 10 -42.614 -5.587 38.714 1.00 0.00 H new ATOM 0 HE2 MET B 10 -42.548 -4.560 40.165 1.00 0.00 H new ATOM 0 HE3 MET B 10 -41.751 -4.032 38.664 1.00 0.00 H new ATOM 393 N SER B 11 -42.414 -5.368 42.918 1.00 0.00 N ATOM 394 CA SER B 11 -42.994 -6.723 43.167 1.00 0.00 C ATOM 395 C SER B 11 -43.531 -7.071 44.602 1.00 0.00 C ATOM 396 O SER B 11 -43.010 -6.630 45.627 1.00 0.00 O ATOM 397 CB SER B 11 -42.108 -7.839 42.556 1.00 0.00 C ATOM 398 OG SER B 11 -40.992 -8.149 43.390 1.00 0.00 O ATOM 0 H SER B 11 -43.027 -4.748 42.389 1.00 0.00 H new ATOM 0 HA SER B 11 -43.939 -6.670 42.627 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.708 -8.736 42.404 1.00 0.00 H new ATOM 0 HB3 SER B 11 -41.752 -7.524 41.575 1.00 0.00 H new ATOM 0 HG SER B 11 -40.786 -7.379 43.960 1.00 0.00 H new ATOM 404 N ARG B 12 -44.593 -7.899 44.666 1.00 0.00 N ATOM 405 CA ARG B 12 -44.993 -8.630 45.906 1.00 0.00 C ATOM 406 C ARG B 12 -45.206 -10.152 45.590 1.00 0.00 C ATOM 407 O ARG B 12 -44.406 -10.978 46.026 1.00 0.00 O ATOM 408 CB ARG B 12 -46.226 -7.943 46.559 1.00 0.00 C ATOM 409 CG ARG B 12 -46.017 -6.464 46.969 1.00 0.00 C ATOM 410 CD ARG B 12 -47.238 -5.796 47.625 1.00 0.00 C ATOM 411 NE ARG B 12 -48.557 -5.842 46.916 1.00 0.00 N ATOM 412 CZ ARG B 12 -48.820 -5.357 45.715 1.00 0.00 C ATOM 413 NH1 ARG B 12 -47.943 -4.852 44.906 1.00 0.00 N ATOM 414 NH2 ARG B 12 -50.059 -5.262 45.371 1.00 0.00 N ATOM 0 H ARG B 12 -45.201 -8.086 43.869 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.194 -8.583 46.646 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -47.062 -7.995 45.862 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -46.512 -8.512 47.444 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -45.176 -6.409 47.660 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -45.740 -5.892 46.083 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -47.375 -6.251 48.606 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -46.990 -4.748 47.792 1.00 0.00 H new ATOM 0 HE ARG B 12 -49.328 -6.292 47.409 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -46.962 -4.807 45.181 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -48.234 -4.499 43.994 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -50.792 -5.556 46.017 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -50.307 -4.893 44.453 1.00 0.00 H new ATOM 428 N SER B 13 -46.251 -10.525 44.820 1.00 0.00 N ATOM 429 CA SER B 13 -46.440 -11.912 44.297 1.00 0.00 C ATOM 430 C SER B 13 -46.366 -11.963 42.733 1.00 0.00 C ATOM 431 O SER B 13 -45.374 -12.435 42.180 1.00 0.00 O ATOM 432 CB SER B 13 -47.728 -12.516 44.919 1.00 0.00 C ATOM 433 OG SER B 13 -48.918 -11.813 44.538 1.00 0.00 O ATOM 0 H SER B 13 -46.990 -9.881 44.539 1.00 0.00 H new ATOM 0 HA SER B 13 -45.614 -12.550 44.609 1.00 0.00 H new ATOM 0 HB2 SER B 13 -47.816 -13.559 44.616 1.00 0.00 H new ATOM 0 HB3 SER B 13 -47.639 -12.506 46.005 1.00 0.00 H new ATOM 0 HG SER B 13 -49.696 -12.237 44.956 1.00 0.00 H new ATOM 439 N SER B 14 -47.369 -11.429 42.006 1.00 0.00 N ATOM 440 CA SER B 14 -47.398 -11.470 40.508 1.00 0.00 C ATOM 441 C SER B 14 -46.404 -10.553 39.692 1.00 0.00 C ATOM 442 O SER B 14 -46.483 -10.538 38.458 1.00 0.00 O ATOM 443 CB SER B 14 -48.874 -11.186 40.118 1.00 0.00 C ATOM 444 OG SER B 14 -49.068 -11.269 38.703 1.00 0.00 O ATOM 0 H SER B 14 -48.175 -10.962 42.421 1.00 0.00 H new ATOM 0 HA SER B 14 -47.023 -12.452 40.220 1.00 0.00 H new ATOM 0 HB2 SER B 14 -49.528 -11.901 40.618 1.00 0.00 H new ATOM 0 HB3 SER B 14 -49.159 -10.194 40.468 1.00 0.00 H new ATOM 0 HG SER B 14 -48.238 -11.024 38.244 1.00 0.00 H new ATOM 450 N GLY B 15 -45.512 -9.772 40.327 1.00 0.00 N ATOM 451 CA GLY B 15 -44.576 -8.851 39.626 1.00 0.00 C ATOM 452 C GLY B 15 -45.130 -7.427 39.448 1.00 0.00 C ATOM 453 O GLY B 15 -45.238 -6.955 38.314 1.00 0.00 O ATOM 0 H GLY B 15 -45.413 -9.756 41.342 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -43.642 -8.801 40.185 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -44.339 -9.265 38.646 1.00 0.00 H new ATOM 457 N ARG B 16 -45.554 -6.771 40.549 1.00 0.00 N ATOM 458 CA ARG B 16 -46.066 -5.376 40.510 1.00 0.00 C ATOM 459 C ARG B 16 -45.521 -4.473 41.669 1.00 0.00 C ATOM 460 O ARG B 16 -45.488 -4.833 42.845 1.00 0.00 O ATOM 461 CB ARG B 16 -47.617 -5.256 40.437 1.00 0.00 C ATOM 462 CG ARG B 16 -48.297 -5.732 39.129 1.00 0.00 C ATOM 463 CD ARG B 16 -48.634 -7.226 39.199 1.00 0.00 C ATOM 464 NE ARG B 16 -49.337 -7.732 37.985 1.00 0.00 N ATOM 465 CZ ARG B 16 -48.742 -8.198 36.889 1.00 0.00 C ATOM 466 NH1 ARG B 16 -47.460 -8.124 36.669 1.00 0.00 N ATOM 467 NH2 ARG B 16 -49.482 -8.752 35.983 1.00 0.00 N ATOM 0 H ARG B 16 -45.553 -7.184 41.482 1.00 0.00 H new ATOM 0 HA ARG B 16 -45.668 -5.002 39.567 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -48.040 -5.824 41.265 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -47.884 -4.211 40.597 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -49.207 -5.158 38.958 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -47.637 -5.543 38.282 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -47.713 -7.792 39.339 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -49.258 -7.410 40.074 1.00 0.00 H new ATOM 0 HE ARG B 16 -50.357 -7.720 37.995 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -46.848 -7.688 37.359 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -47.068 -8.502 35.806 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -50.490 -8.821 36.120 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -49.057 -9.119 35.132 1.00 0.00 H new ATOM 481 N VAL B 17 -45.190 -3.263 41.241 1.00 0.00 N ATOM 482 CA VAL B 17 -44.677 -2.087 42.021 1.00 0.00 C ATOM 483 C VAL B 17 -43.468 -1.396 41.298 1.00 0.00 C ATOM 484 O VAL B 17 -42.731 -2.040 40.550 1.00 0.00 O ATOM 485 CB VAL B 17 -44.824 -1.968 43.588 1.00 0.00 C ATOM 486 CG1 VAL B 17 -43.729 -2.618 44.450 1.00 0.00 C ATOM 487 CG2 VAL B 17 -45.029 -0.528 44.118 1.00 0.00 C ATOM 0 H VAL B 17 -45.272 -3.032 40.251 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.529 -1.408 41.989 1.00 0.00 H new ATOM 0 HB VAL B 17 -45.735 -2.553 43.710 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -43.955 -2.461 45.505 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -43.690 -3.687 44.243 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -42.765 -2.167 44.214 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -45.119 -0.549 45.204 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -44.175 0.088 43.837 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -45.937 -0.107 43.687 1.00 0.00 H new ATOM 497 N TYR B 18 -43.303 -0.065 41.454 1.00 0.00 N ATOM 498 CA TYR B 18 -42.519 0.788 40.516 1.00 0.00 C ATOM 499 C TYR B 18 -41.560 1.828 41.137 1.00 0.00 C ATOM 500 O TYR B 18 -40.406 1.951 40.728 1.00 0.00 O ATOM 501 CB TYR B 18 -43.335 1.360 39.322 1.00 0.00 C ATOM 502 CG TYR B 18 -44.032 0.296 38.472 1.00 0.00 C ATOM 503 CD1 TYR B 18 -43.247 -0.638 37.793 1.00 0.00 C ATOM 504 CD2 TYR B 18 -45.362 -0.001 38.762 1.00 0.00 C ATOM 505 CE1 TYR B 18 -43.752 -1.904 37.530 1.00 0.00 C ATOM 506 CE2 TYR B 18 -45.868 -1.266 38.501 1.00 0.00 C ATOM 507 CZ TYR B 18 -45.069 -2.219 37.869 1.00 0.00 C ATOM 508 OH TYR B 18 -45.529 -3.491 37.676 1.00 0.00 O ATOM 0 H TYR B 18 -43.707 0.455 42.233 1.00 0.00 H new ATOM 0 HA TYR B 18 -41.838 0.046 40.099 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.085 2.050 39.707 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -42.667 1.939 38.684 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.249 -0.376 37.473 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -46.001 0.756 39.191 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -43.124 -2.648 37.062 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -46.880 -1.513 38.787 1.00 0.00 H new ATOM 0 HH TYR B 18 -46.464 -3.548 37.963 1.00 0.00 H new ATOM 518 N TYR B 19 -42.060 2.583 42.093 1.00 0.00 N ATOM 519 CA TYR B 19 -41.458 3.888 42.519 1.00 0.00 C ATOM 520 C TYR B 19 -41.813 4.293 43.996 1.00 0.00 C ATOM 521 O TYR B 19 -42.879 3.997 44.537 1.00 0.00 O ATOM 522 CB TYR B 19 -41.778 4.982 41.455 1.00 0.00 C ATOM 523 CG TYR B 19 -40.864 5.096 40.212 1.00 0.00 C ATOM 524 CD1 TYR B 19 -39.664 5.814 40.257 1.00 0.00 C ATOM 525 CD2 TYR B 19 -41.258 4.520 39.002 1.00 0.00 C ATOM 526 CE1 TYR B 19 -38.860 5.929 39.124 1.00 0.00 C ATOM 527 CE2 TYR B 19 -40.454 4.625 37.869 1.00 0.00 C ATOM 528 CZ TYR B 19 -39.257 5.332 37.932 1.00 0.00 C ATOM 529 OH TYR B 19 -38.478 5.443 36.813 1.00 0.00 O ATOM 0 H TYR B 19 -42.899 2.332 42.616 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.375 3.773 42.554 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.796 4.814 41.103 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -41.771 5.948 41.961 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.357 6.284 41.180 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -42.196 3.988 38.944 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -37.932 6.480 39.172 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -40.759 4.159 36.944 1.00 0.00 H new ATOM 0 HH TYR B 19 -38.903 4.966 36.070 1.00 0.00 H new ATOM 539 N PHE B 20 -40.874 4.971 44.669 1.00 0.00 N ATOM 540 CA PHE B 20 -41.015 5.467 46.069 1.00 0.00 C ATOM 541 C PHE B 20 -40.128 6.745 46.236 1.00 0.00 C ATOM 542 O PHE B 20 -38.913 6.680 46.053 1.00 0.00 O ATOM 543 CB PHE B 20 -40.614 4.301 47.026 1.00 0.00 C ATOM 544 CG PHE B 20 -40.553 4.577 48.542 1.00 0.00 C ATOM 545 CD1 PHE B 20 -39.471 5.250 49.088 1.00 0.00 C ATOM 546 CD2 PHE B 20 -41.541 4.096 49.385 1.00 0.00 C ATOM 547 CE1 PHE B 20 -39.408 5.509 50.453 1.00 0.00 C ATOM 548 CE2 PHE B 20 -41.484 4.335 50.754 1.00 0.00 C ATOM 549 CZ PHE B 20 -40.426 5.077 51.342 1.00 0.00 C ATOM 0 H PHE B 20 -39.970 5.202 44.257 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.037 5.759 46.312 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.319 3.485 46.866 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -39.633 3.941 46.716 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -38.667 5.577 48.445 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -42.364 3.530 48.975 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -38.562 6.053 50.847 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -42.267 3.945 51.388 1.00 0.00 H new ATOM 0 HZ PHE B 20 -40.398 5.299 52.399 1.00 0.00 H new ATOM 559 N ASN B 21 -40.681 7.903 46.629 1.00 0.00 N ATOM 560 CA ASN B 21 -39.861 9.116 46.925 1.00 0.00 C ATOM 561 C ASN B 21 -39.174 8.996 48.332 1.00 0.00 C ATOM 562 O ASN B 21 -39.852 8.774 49.336 1.00 0.00 O ATOM 563 CB ASN B 21 -40.768 10.373 46.793 1.00 0.00 C ATOM 564 CG ASN B 21 -40.128 11.717 46.415 1.00 0.00 C ATOM 565 OD1 ASN B 21 -40.722 12.522 45.711 1.00 0.00 O ATOM 566 ND2 ASN B 21 -38.947 12.060 46.862 1.00 0.00 N ATOM 0 H ASN B 21 -41.685 8.037 46.752 1.00 0.00 H new ATOM 0 HA ASN B 21 -39.047 9.210 46.206 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -41.531 10.151 46.047 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -41.282 10.509 47.745 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -38.555 12.970 46.620 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -38.419 11.417 47.452 1.00 0.00 H new ATOM 573 N HIS B 22 -37.840 9.120 48.408 1.00 0.00 N ATOM 574 CA HIS B 22 -37.060 8.926 49.672 1.00 0.00 C ATOM 575 C HIS B 22 -36.966 10.173 50.615 1.00 0.00 C ATOM 576 O HIS B 22 -37.169 10.058 51.823 1.00 0.00 O ATOM 577 CB HIS B 22 -35.650 8.381 49.269 1.00 0.00 C ATOM 578 CG HIS B 22 -35.313 7.035 49.882 1.00 0.00 C ATOM 579 ND1 HIS B 22 -34.672 6.867 51.087 1.00 0.00 N ATOM 580 CD2 HIS B 22 -35.608 5.791 49.315 1.00 0.00 C ATOM 581 CE1 HIS B 22 -34.617 5.502 51.143 1.00 0.00 C ATOM 582 NE2 HIS B 22 -35.158 4.752 50.126 1.00 0.00 N ATOM 0 H HIS B 22 -37.259 9.357 47.604 1.00 0.00 H new ATOM 0 HA HIS B 22 -37.605 8.212 50.290 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -35.600 8.297 48.183 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -34.892 9.105 49.568 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -34.333 7.563 51.751 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -36.118 5.654 48.373 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -34.149 5.014 51.985 1.00 0.00 H new ATOM 590 N ILE B 23 -36.654 11.359 50.069 1.00 0.00 N ATOM 591 CA ILE B 23 -36.685 12.663 50.819 1.00 0.00 C ATOM 592 C ILE B 23 -38.093 13.087 51.378 1.00 0.00 C ATOM 593 O ILE B 23 -38.208 13.466 52.544 1.00 0.00 O ATOM 594 CB ILE B 23 -35.974 13.796 49.985 1.00 0.00 C ATOM 595 CG1 ILE B 23 -36.588 14.022 48.566 1.00 0.00 C ATOM 596 CG2 ILE B 23 -34.439 13.575 49.937 1.00 0.00 C ATOM 597 CD1 ILE B 23 -35.994 15.142 47.704 1.00 0.00 C ATOM 0 H ILE B 23 -36.370 11.460 49.095 1.00 0.00 H new ATOM 0 HA ILE B 23 -36.111 12.498 51.731 1.00 0.00 H new ATOM 0 HB ILE B 23 -36.163 14.728 50.518 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -36.501 13.089 48.010 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -37.652 14.222 48.689 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -33.975 14.371 49.355 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -34.038 13.585 50.951 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -34.224 12.613 49.471 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -36.517 15.182 46.749 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -36.106 16.096 48.219 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -34.936 14.945 47.530 1.00 0.00 H new ATOM 609 N THR B 24 -39.159 12.971 50.570 1.00 0.00 N ATOM 610 CA THR B 24 -40.575 13.036 51.048 1.00 0.00 C ATOM 611 C THR B 24 -41.020 11.843 51.976 1.00 0.00 C ATOM 612 O THR B 24 -41.667 12.064 53.000 1.00 0.00 O ATOM 613 CB THR B 24 -41.458 13.158 49.762 1.00 0.00 C ATOM 614 OG1 THR B 24 -41.213 14.390 49.094 1.00 0.00 O ATOM 615 CG2 THR B 24 -42.972 13.098 49.984 1.00 0.00 C ATOM 0 H THR B 24 -39.077 12.829 49.563 1.00 0.00 H new ATOM 0 HA THR B 24 -40.694 13.897 51.706 1.00 0.00 H new ATOM 0 HB THR B 24 -41.164 12.284 49.181 1.00 0.00 H new ATOM 0 HG1 THR B 24 -41.774 14.445 48.292 1.00 0.00 H new ATOM 0 HG21 THR B 24 -43.484 13.192 49.026 1.00 0.00 H new ATOM 0 HG22 THR B 24 -43.235 12.145 50.444 1.00 0.00 H new ATOM 0 HG23 THR B 24 -43.276 13.914 50.640 1.00 0.00 H new ATOM 623 N ASN B 25 -40.732 10.595 51.568 1.00 0.00 N ATOM 624 CA ASN B 25 -41.287 9.335 52.122 1.00 0.00 C ATOM 625 C ASN B 25 -42.741 9.040 51.613 1.00 0.00 C ATOM 626 O ASN B 25 -43.716 9.079 52.367 1.00 0.00 O ATOM 627 CB ASN B 25 -41.032 9.142 53.632 1.00 0.00 C ATOM 628 CG ASN B 25 -39.568 9.092 54.068 1.00 0.00 C ATOM 629 OD1 ASN B 25 -38.908 8.063 54.002 1.00 0.00 O ATOM 630 ND2 ASN B 25 -39.012 10.191 54.502 1.00 0.00 N ATOM 0 H ASN B 25 -40.075 10.423 50.807 1.00 0.00 H new ATOM 0 HA ASN B 25 -40.699 8.522 51.696 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -41.522 9.954 54.169 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -41.515 8.216 53.945 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -38.032 10.190 54.784 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -39.558 11.051 54.559 1.00 0.00 H new ATOM 637 N ALA B 26 -42.867 8.733 50.308 1.00 0.00 N ATOM 638 CA ALA B 26 -44.164 8.424 49.654 1.00 0.00 C ATOM 639 C ALA B 26 -44.018 7.213 48.683 1.00 0.00 C ATOM 640 O ALA B 26 -43.198 7.239 47.763 1.00 0.00 O ATOM 641 CB ALA B 26 -44.630 9.689 48.905 1.00 0.00 C ATOM 0 H ALA B 26 -42.072 8.691 49.670 1.00 0.00 H new ATOM 0 HA ALA B 26 -44.907 8.143 50.400 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -45.583 9.491 48.414 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -44.751 10.508 49.614 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -43.886 9.964 48.157 1.00 0.00 H new ATOM 647 N SER B 27 -44.830 6.165 48.863 1.00 0.00 N ATOM 648 CA SER B 27 -44.897 5.028 47.897 1.00 0.00 C ATOM 649 C SER B 27 -45.841 5.314 46.687 1.00 0.00 C ATOM 650 O SER B 27 -46.916 5.899 46.864 1.00 0.00 O ATOM 651 CB SER B 27 -45.440 3.808 48.671 1.00 0.00 C ATOM 652 OG SER B 27 -44.667 3.466 49.823 1.00 0.00 O ATOM 0 H SER B 27 -45.455 6.067 49.663 1.00 0.00 H new ATOM 0 HA SER B 27 -43.900 4.860 47.489 1.00 0.00 H new ATOM 0 HB2 SER B 27 -46.465 4.012 48.980 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.475 2.950 48.000 1.00 0.00 H new ATOM 0 HG SER B 27 -43.832 3.980 49.821 1.00 0.00 H new ATOM 658 N GLN B 28 -45.488 4.870 45.464 1.00 0.00 N ATOM 659 CA GLN B 28 -46.460 4.844 44.343 1.00 0.00 C ATOM 660 C GLN B 28 -46.212 3.675 43.337 1.00 0.00 C ATOM 661 O GLN B 28 -45.223 2.937 43.378 1.00 0.00 O ATOM 662 CB GLN B 28 -46.656 6.259 43.715 1.00 0.00 C ATOM 663 CG GLN B 28 -45.502 6.757 42.814 1.00 0.00 C ATOM 664 CD GLN B 28 -45.795 8.022 42.005 1.00 0.00 C ATOM 665 OE1 GLN B 28 -45.293 9.108 42.265 1.00 0.00 O ATOM 666 NE2 GLN B 28 -46.604 7.875 40.985 1.00 0.00 N ATOM 0 H GLN B 28 -44.556 4.530 45.226 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.437 4.594 44.756 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -47.574 6.252 43.128 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -46.799 6.978 44.522 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -44.629 6.942 43.440 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.234 5.958 42.122 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -47.012 6.962 40.785 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -46.826 8.674 40.391 1.00 0.00 H new ATOM 675 N TRP B 29 -47.151 3.545 42.398 1.00 0.00 N ATOM 676 CA TRP B 29 -46.974 2.644 41.215 1.00 0.00 C ATOM 677 C TRP B 29 -46.822 3.386 39.836 1.00 0.00 C ATOM 678 O TRP B 29 -47.300 2.915 38.804 1.00 0.00 O ATOM 679 CB TRP B 29 -48.010 1.486 41.329 1.00 0.00 C ATOM 680 CG TRP B 29 -49.485 1.678 40.954 1.00 0.00 C ATOM 681 CD1 TRP B 29 -50.249 2.863 40.981 1.00 0.00 C ATOM 682 CD2 TRP B 29 -50.388 0.661 40.684 1.00 0.00 C ATOM 683 NE1 TRP B 29 -51.607 2.611 40.726 1.00 0.00 N ATOM 684 CE2 TRP B 29 -51.672 1.241 40.547 1.00 0.00 C ATOM 685 CE3 TRP B 29 -50.232 -0.752 40.650 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -52.810 0.418 40.385 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -51.368 -1.544 40.473 1.00 0.00 C ATOM 688 CH2 TRP B 29 -52.637 -0.967 40.342 1.00 0.00 C ATOM 0 H TRP B 29 -48.042 4.041 42.416 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.992 2.172 41.234 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.634 0.666 40.717 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.990 1.147 42.365 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.840 3.844 41.174 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -52.371 3.285 40.683 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -49.256 -1.202 40.759 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -53.795 0.852 40.296 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -51.266 -2.619 40.437 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -53.498 -1.605 40.205 1.00 0.00 H new ATOM 699 N GLU B 30 -46.081 4.512 39.827 1.00 0.00 N ATOM 700 CA GLU B 30 -45.720 5.283 38.615 1.00 0.00 C ATOM 701 C GLU B 30 -44.411 6.108 38.838 1.00 0.00 C ATOM 702 O GLU B 30 -44.009 6.468 39.947 1.00 0.00 O ATOM 703 CB GLU B 30 -46.895 6.236 38.217 1.00 0.00 C ATOM 704 CG GLU B 30 -47.279 6.219 36.732 1.00 0.00 C ATOM 705 CD GLU B 30 -46.258 6.687 35.702 1.00 0.00 C ATOM 706 OE1 GLU B 30 -45.340 5.906 35.374 1.00 0.00 O ATOM 707 OE2 GLU B 30 -46.332 7.847 35.250 1.00 0.00 O ATOM 0 H GLU B 30 -45.707 4.923 40.682 1.00 0.00 H new ATOM 0 HA GLU B 30 -45.539 4.576 37.805 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -47.773 5.969 38.805 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -46.624 7.255 38.494 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -47.561 5.198 36.476 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -48.171 6.835 36.615 1.00 0.00 H new ATOM 714 N ARG B 31 -43.789 6.489 37.732 1.00 0.00 N ATOM 715 CA ARG B 31 -42.813 7.604 37.671 1.00 0.00 C ATOM 716 C ARG B 31 -43.310 9.002 38.229 1.00 0.00 C ATOM 717 O ARG B 31 -44.513 9.277 38.175 1.00 0.00 O ATOM 718 CB ARG B 31 -42.509 7.611 36.141 1.00 0.00 C ATOM 719 CG ARG B 31 -41.462 8.599 35.587 1.00 0.00 C ATOM 720 CD ARG B 31 -41.374 8.469 34.045 1.00 0.00 C ATOM 721 NE ARG B 31 -41.100 9.776 33.387 1.00 0.00 N ATOM 722 CZ ARG B 31 -39.915 10.273 33.072 1.00 0.00 C ATOM 723 NH1 ARG B 31 -38.791 9.667 33.316 1.00 0.00 N ATOM 724 NH2 ARG B 31 -39.883 11.428 32.494 1.00 0.00 N ATOM 0 H ARG B 31 -43.940 6.036 36.831 1.00 0.00 H new ATOM 0 HA ARG B 31 -41.952 7.455 38.322 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -42.190 6.606 35.865 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.448 7.802 35.621 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.733 9.619 35.859 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.488 8.398 36.033 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.587 7.761 33.786 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -42.309 8.060 33.662 1.00 0.00 H new ATOM 0 HE ARG B 31 -41.911 10.349 33.155 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -38.792 8.756 33.775 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -37.908 10.102 33.048 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -40.752 11.923 32.296 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -38.988 11.844 32.236 1.00 0.00 H new ATOM 738 N PRO B 32 -42.433 9.967 38.654 1.00 0.00 N ATOM 739 CA PRO B 32 -42.844 11.402 38.854 1.00 0.00 C ATOM 740 C PRO B 32 -43.401 12.225 37.620 1.00 0.00 C ATOM 741 O PRO B 32 -43.401 13.460 37.646 1.00 0.00 O ATOM 742 CB PRO B 32 -41.540 12.051 39.403 1.00 0.00 C ATOM 743 CG PRO B 32 -40.432 11.013 39.290 1.00 0.00 C ATOM 744 CD PRO B 32 -41.067 9.649 39.093 1.00 0.00 C ATOM 0 HA PRO B 32 -43.722 11.421 39.500 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -41.287 12.945 38.834 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -41.672 12.360 40.440 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -39.776 11.250 38.453 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -39.816 11.017 40.189 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -40.532 9.061 38.347 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -41.067 9.069 40.016 1.00 0.00 H new ATOM 752 N SER B 33 -43.837 11.562 36.533 1.00 0.00 N ATOM 753 CA SER B 33 -44.248 12.188 35.242 1.00 0.00 C ATOM 754 C SER B 33 -43.073 12.858 34.448 1.00 0.00 C ATOM 755 O SER B 33 -42.573 12.264 33.490 1.00 0.00 O ATOM 756 CB SER B 33 -45.553 13.016 35.379 1.00 0.00 C ATOM 757 OG SER B 33 -46.099 13.323 34.095 1.00 0.00 O ATOM 0 H SER B 33 -43.919 10.545 36.518 1.00 0.00 H new ATOM 0 HA SER B 33 -44.524 11.375 34.571 1.00 0.00 H new ATOM 0 HB2 SER B 33 -46.283 12.458 35.965 1.00 0.00 H new ATOM 0 HB3 SER B 33 -45.348 13.939 35.921 1.00 0.00 H new ATOM 0 HG SER B 33 -46.922 13.844 34.205 1.00 0.00 H new ATOM 763 N GLY B 34 -42.604 14.055 34.852 1.00 0.00 N ATOM 764 CA GLY B 34 -41.390 14.714 34.275 1.00 0.00 C ATOM 765 C GLY B 34 -41.232 14.879 32.742 1.00 0.00 C ATOM 766 O GLY B 34 -40.197 14.494 32.193 1.00 0.00 O ATOM 0 H GLY B 34 -43.049 14.602 35.589 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -41.327 15.710 34.713 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -40.523 14.155 34.628 1.00 0.00 H new ATOM 770 N ASN B 35 -42.241 15.444 32.067 1.00 0.00 N ATOM 771 CA ASN B 35 -42.244 15.615 30.585 1.00 0.00 C ATOM 772 C ASN B 35 -42.903 16.988 30.216 1.00 0.00 C ATOM 773 O ASN B 35 -44.131 17.113 30.201 1.00 0.00 O ATOM 774 CB ASN B 35 -42.973 14.410 29.914 1.00 0.00 C ATOM 775 CG ASN B 35 -42.135 13.138 29.757 1.00 0.00 C ATOM 776 OD1 ASN B 35 -42.050 12.282 30.631 1.00 0.00 O ATOM 777 ND2 ASN B 35 -41.489 12.955 28.635 1.00 0.00 N ATOM 0 H ASN B 35 -43.083 15.799 32.520 1.00 0.00 H new ATOM 0 HA ASN B 35 -41.222 15.628 30.207 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -43.859 14.170 30.502 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -43.319 14.720 28.928 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -40.929 12.113 28.501 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -41.545 13.654 27.894 1.00 0.00 H new ATOM 784 N SER B 36 -42.082 18.003 29.902 1.00 0.00 N ATOM 785 CA SER B 36 -42.570 19.375 29.574 1.00 0.00 C ATOM 786 C SER B 36 -43.328 19.528 28.208 1.00 0.00 C ATOM 787 O SER B 36 -43.153 18.752 27.260 1.00 0.00 O ATOM 788 CB SER B 36 -41.340 20.317 29.639 1.00 0.00 C ATOM 789 OG SER B 36 -40.979 20.598 30.993 1.00 0.00 O ATOM 0 H SER B 36 -41.067 17.909 29.865 1.00 0.00 H new ATOM 0 HA SER B 36 -43.336 19.632 30.306 1.00 0.00 H new ATOM 0 HB2 SER B 36 -40.498 19.857 29.123 1.00 0.00 H new ATOM 0 HB3 SER B 36 -41.563 21.248 29.118 1.00 0.00 H new ATOM 0 HG SER B 36 -41.696 21.109 31.423 1.00 0.00 H new ATOM 795 N SER B 37 -44.192 20.551 28.116 1.00 0.00 N ATOM 796 CA SER B 37 -44.919 20.918 26.862 1.00 0.00 C ATOM 797 C SER B 37 -45.201 22.455 26.757 1.00 0.00 C ATOM 798 O SER B 37 -44.742 23.096 25.807 1.00 0.00 O ATOM 799 CB SER B 37 -46.188 20.043 26.706 1.00 0.00 C ATOM 800 OG SER B 37 -45.832 18.686 26.431 1.00 0.00 O ATOM 0 H SER B 37 -44.416 21.157 28.905 1.00 0.00 H new ATOM 0 HA SER B 37 -44.270 20.702 26.013 1.00 0.00 H new ATOM 0 HB2 SER B 37 -46.784 20.091 27.618 1.00 0.00 H new ATOM 0 HB3 SER B 37 -46.808 20.433 25.899 1.00 0.00 H new ATOM 0 HG SER B 37 -44.871 18.563 26.581 1.00 0.00 H new ATOM 806 N SER B 38 -45.934 23.054 27.713 1.00 0.00 N ATOM 807 CA SER B 38 -45.998 24.538 27.880 1.00 0.00 C ATOM 808 C SER B 38 -45.616 24.923 29.351 1.00 0.00 C ATOM 809 O SER B 38 -46.480 25.259 30.171 1.00 0.00 O ATOM 810 CB SER B 38 -47.395 25.040 27.428 1.00 0.00 C ATOM 811 OG SER B 38 -48.427 24.644 28.336 1.00 0.00 O ATOM 0 H SER B 38 -46.497 22.540 28.390 1.00 0.00 H new ATOM 0 HA SER B 38 -45.269 25.041 27.244 1.00 0.00 H new ATOM 0 HB2 SER B 38 -47.381 26.127 27.347 1.00 0.00 H new ATOM 0 HB3 SER B 38 -47.617 24.649 26.435 1.00 0.00 H new ATOM 0 HG SER B 38 -48.123 24.783 29.257 1.00 0.00 H new ATOM 817 N GLY B 39 -44.324 24.796 29.686 1.00 0.00 N ATOM 818 CA GLY B 39 -43.922 24.380 31.056 1.00 0.00 C ATOM 819 C GLY B 39 -43.461 22.913 31.073 1.00 0.00 C ATOM 820 O GLY B 39 -42.366 22.631 31.602 1.00 0.00 O ATOM 821 OXT GLY B 39 -44.182 22.031 30.555 1.00 0.00 O ATOM 0 H GLY B 39 -43.547 24.969 29.049 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -43.117 25.022 31.413 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -44.761 24.509 31.740 1.00 0.00 H new TER 825 GLY B 39