USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=19 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 NoAdj-H: A 7 TPO H : A 7 TPO N : A 6 ARG C :(H bumps) USER MOD Set 1.1: B 33 SER OG : rot -131:sc= 1.18 USER MOD Set 1.2: B 36 SER OG : rot 63:sc= 1.01 USER MOD Set 2.1: B 1 LYS NZ :NH3+ 156:sc= 0.944 (180deg=0) USER MOD Set 2.2: B 35 ASN : amide:sc= 1.23 K(o=2.2,f=-7.6!) USER MOD Set 3.1: A 13 SER OG : rot 89:sc= 0.672 USER MOD Set 3.2: B 13 SER OG : rot 6:sc= 1.09 USER MOD Set 4.1: A 1 LYS NZ :NH3+ -155:sc= 1.59 (180deg=1.06) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0.621 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.841) USER MOD Single : A 11 SER OG : rot -95:sc= 1.13 USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -158:sc= 1.19 (180deg=1.11) USER MOD Single : B 10 MET CE :methyl -155:sc= 0 (180deg=-0.645) USER MOD Single : B 11 SER OG : rot 180:sc= 0.0678 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -12:sc= 1.23 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.26) USER MOD Single : B 22 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : B 24 THR OG1 : rot -17:sc= 0.732 USER MOD Single : B 25 ASN : amide:sc= 0.634 K(o=0.63,f=-6.3!) USER MOD Single : B 27 SER OG : rot -94:sc= 1.36 USER MOD Single : B 28 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.15) USER MOD Single : B 37 SER OG : rot 149:sc= 1.29 USER MOD Single : B 38 SER OG : rot -77:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -50.832 -0.689 62.322 1.00 0.00 N ATOM 2 CA LYS A 1 -50.407 -1.491 61.135 1.00 0.00 C ATOM 3 C LYS A 1 -49.606 -0.587 60.131 1.00 0.00 C ATOM 4 O LYS A 1 -50.200 0.317 59.541 1.00 0.00 O ATOM 5 CB LYS A 1 -51.684 -2.126 60.496 1.00 0.00 C ATOM 6 CG LYS A 1 -51.505 -3.335 59.530 1.00 0.00 C ATOM 7 CD LYS A 1 -50.719 -3.140 58.209 1.00 0.00 C ATOM 8 CE LYS A 1 -51.332 -2.143 57.201 1.00 0.00 C ATOM 9 NZ LYS A 1 -50.441 -2.060 56.006 1.00 0.00 N ATOM 0 H1 LYS A 1 -51.361 -1.296 62.980 1.00 0.00 H new ATOM 0 H2 LYS A 1 -49.992 -0.308 62.802 1.00 0.00 H new ATOM 0 H3 LYS A 1 -51.439 0.096 62.011 1.00 0.00 H new ATOM 0 HA LYS A 1 -49.732 -2.296 61.425 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -52.339 -2.443 61.308 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -52.209 -1.341 59.952 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -51.014 -4.131 60.089 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -52.500 -3.696 59.269 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -49.711 -2.805 58.454 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -50.623 -4.109 57.719 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -52.329 -2.469 56.906 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -51.441 -1.160 57.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -50.576 -1.142 55.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -49.449 -2.153 56.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -50.676 -2.827 55.344 1.00 0.00 H new ATOM 25 N VAL A 2 -48.296 -0.812 59.921 1.00 0.00 N ATOM 26 CA VAL A 2 -47.470 0.011 58.972 1.00 0.00 C ATOM 27 C VAL A 2 -47.712 -0.338 57.453 1.00 0.00 C ATOM 28 O VAL A 2 -47.866 -1.507 57.083 1.00 0.00 O ATOM 29 CB VAL A 2 -45.965 -0.069 59.420 1.00 0.00 C ATOM 30 CG1 VAL A 2 -45.259 -1.426 59.178 1.00 0.00 C ATOM 31 CG2 VAL A 2 -45.089 1.038 58.792 1.00 0.00 C ATOM 0 H VAL A 2 -47.772 -1.553 60.388 1.00 0.00 H new ATOM 0 HA VAL A 2 -47.793 1.050 59.031 1.00 0.00 H new ATOM 0 HB VAL A 2 -46.048 0.069 60.498 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -44.227 -1.366 59.524 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -45.781 -2.210 59.726 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -45.271 -1.658 58.113 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -44.061 0.930 59.139 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -45.116 0.951 57.706 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -45.471 2.015 59.087 1.00 0.00 H new ATOM 41 N SER A 3 -47.755 0.673 56.568 1.00 0.00 N ATOM 42 CA SER A 3 -47.705 0.461 55.085 1.00 0.00 C ATOM 43 C SER A 3 -46.310 0.878 54.499 1.00 0.00 C ATOM 44 O SER A 3 -46.148 1.950 53.900 1.00 0.00 O ATOM 45 CB SER A 3 -48.906 1.196 54.432 1.00 0.00 C ATOM 46 OG SER A 3 -50.163 0.587 54.753 1.00 0.00 O ATOM 0 H SER A 3 -47.824 1.653 56.841 1.00 0.00 H new ATOM 0 HA SER A 3 -47.803 -0.599 54.850 1.00 0.00 H new ATOM 0 HB2 SER A 3 -48.915 2.235 54.762 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.777 1.206 53.350 1.00 0.00 H new ATOM 0 HG SER A 3 -50.888 1.085 54.321 1.00 0.00 H new ATOM 52 N VAL A 4 -45.301 0.008 54.677 1.00 0.00 N ATOM 53 CA VAL A 4 -43.903 0.249 54.203 1.00 0.00 C ATOM 54 C VAL A 4 -43.738 -0.078 52.672 1.00 0.00 C ATOM 55 O VAL A 4 -43.716 -1.237 52.257 1.00 0.00 O ATOM 56 CB VAL A 4 -42.896 -0.457 55.180 1.00 0.00 C ATOM 57 CG1 VAL A 4 -42.921 -2.004 55.196 1.00 0.00 C ATOM 58 CG2 VAL A 4 -41.437 -0.002 54.956 1.00 0.00 C ATOM 0 H VAL A 4 -45.419 -0.887 55.153 1.00 0.00 H new ATOM 0 HA VAL A 4 -43.658 1.310 54.247 1.00 0.00 H new ATOM 0 HB VAL A 4 -43.265 -0.129 56.152 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -42.183 -2.372 55.908 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -43.912 -2.349 55.490 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -42.685 -2.382 54.201 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -40.783 -0.520 55.657 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -41.135 -0.238 53.936 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -41.362 1.073 55.117 1.00 0.00 H new ATOM 68 N VAL A 5 -43.652 0.975 51.834 1.00 0.00 N ATOM 69 CA VAL A 5 -43.629 0.866 50.335 1.00 0.00 C ATOM 70 C VAL A 5 -45.061 0.503 49.774 1.00 0.00 C ATOM 71 O VAL A 5 -45.616 -0.556 50.074 1.00 0.00 O ATOM 72 CB VAL A 5 -42.443 0.046 49.703 1.00 0.00 C ATOM 73 CG1 VAL A 5 -42.181 0.398 48.220 1.00 0.00 C ATOM 74 CG2 VAL A 5 -41.070 0.198 50.404 1.00 0.00 C ATOM 0 H VAL A 5 -43.595 1.938 52.166 1.00 0.00 H new ATOM 0 HA VAL A 5 -43.381 1.866 49.980 1.00 0.00 H new ATOM 0 HB VAL A 5 -42.807 -0.974 49.829 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -41.352 -0.202 47.845 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -43.075 0.189 47.633 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -41.931 1.456 48.136 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -40.328 -0.409 49.886 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -40.763 1.244 50.381 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -41.151 -0.133 51.439 1.00 0.00 H new ATOM 84 N ARG A 6 -45.724 1.427 49.054 1.00 0.00 N ATOM 85 CA ARG A 6 -47.219 1.426 48.917 1.00 0.00 C ATOM 86 C ARG A 6 -47.779 1.934 47.539 1.00 0.00 C ATOM 87 O ARG A 6 -47.070 1.983 46.530 1.00 0.00 O ATOM 88 CB ARG A 6 -47.814 2.074 50.217 1.00 0.00 C ATOM 89 CG ARG A 6 -47.580 3.593 50.388 1.00 0.00 C ATOM 90 CD ARG A 6 -48.044 4.130 51.754 1.00 0.00 C ATOM 91 NE ARG A 6 -47.430 5.468 52.017 1.00 0.00 N ATOM 92 CZ ARG A 6 -46.200 5.667 52.483 1.00 0.00 C ATOM 93 NH1 ARG A 6 -45.402 4.714 52.869 1.00 0.00 N ATOM 94 NH2 ARG A 6 -45.759 6.877 52.552 1.00 0.00 N ATOM 0 H ARG A 6 -45.263 2.187 48.554 1.00 0.00 H new ATOM 0 HA ARG A 6 -47.582 0.400 48.857 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -48.888 1.888 50.232 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -47.390 1.562 51.081 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -46.518 3.806 50.263 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -48.108 4.126 49.597 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -49.131 4.210 51.771 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -47.763 3.431 52.542 1.00 0.00 H new ATOM 0 HE ARG A 6 -47.999 6.292 51.824 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -45.709 3.742 52.824 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -44.470 4.939 53.216 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -46.350 7.653 52.253 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -44.819 7.058 52.905 1.00 0.00 H new HETATM 108 N TPO A 7 -49.092 2.212 47.493 1.00 0.00 N HETATM 109 CA TPO A 7 -49.877 2.278 46.228 1.00 0.00 C HETATM 110 CB TPO A 7 -50.532 0.873 46.009 1.00 0.00 C HETATM 111 CG2 TPO A 7 -51.149 0.748 44.614 1.00 0.00 C HETATM 112 OG1 TPO A 7 -51.575 0.595 46.968 1.00 0.00 O HETATM 113 P TPO A 7 -51.416 -0.291 48.307 1.00 0.00 P HETATM 114 O1P TPO A 7 -51.209 -1.766 47.942 1.00 0.00 O HETATM 115 O2P TPO A 7 -50.175 0.112 49.132 1.00 0.00 O HETATM 116 O3P TPO A 7 -52.710 -0.169 49.235 1.00 0.00 O HETATM 117 C TPO A 7 -50.905 3.484 46.248 1.00 0.00 C HETATM 118 O TPO A 7 -51.865 3.426 47.023 1.00 0.00 O HETATM 0 HG23 TPO A 7 -51.919 1.509 44.487 1.00 0.00 H new HETATM 0 HG22 TPO A 7 -50.374 0.887 43.860 1.00 0.00 H new HETATM 0 HG21 TPO A 7 -51.594 -0.241 44.500 1.00 0.00 H new HETATM 0 HB TPO A 7 -49.720 0.157 46.132 1.00 0.00 H new HETATM 0 HA TPO A 7 -49.236 2.492 45.372 1.00 0.00 H new ATOM 125 N PRO A 8 -50.763 4.594 45.450 1.00 0.00 N ATOM 126 CA PRO A 8 -51.686 5.768 45.541 1.00 0.00 C ATOM 127 C PRO A 8 -53.170 5.637 45.008 1.00 0.00 C ATOM 128 O PRO A 8 -54.056 5.699 45.868 1.00 0.00 O ATOM 129 CB PRO A 8 -50.836 6.931 44.982 1.00 0.00 C ATOM 130 CG PRO A 8 -49.694 6.314 44.189 1.00 0.00 C ATOM 131 CD PRO A 8 -49.479 4.944 44.820 1.00 0.00 C ATOM 0 HA PRO A 8 -51.998 5.924 46.574 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -51.440 7.578 44.346 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -50.451 7.550 45.792 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -49.947 6.228 43.132 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -48.793 6.925 44.252 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -49.197 4.206 44.069 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -48.676 4.973 45.556 1.00 0.00 H new ATOM 139 N PRO A 9 -53.551 5.499 43.696 1.00 0.00 N ATOM 140 CA PRO A 9 -54.986 5.511 43.273 1.00 0.00 C ATOM 141 C PRO A 9 -55.866 4.276 43.666 1.00 0.00 C ATOM 142 O PRO A 9 -56.971 4.456 44.184 1.00 0.00 O ATOM 143 CB PRO A 9 -54.881 5.789 41.758 1.00 0.00 C ATOM 144 CG PRO A 9 -53.498 5.279 41.348 1.00 0.00 C ATOM 145 CD PRO A 9 -52.619 5.594 42.558 1.00 0.00 C ATOM 0 HA PRO A 9 -55.554 6.264 43.820 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -55.669 5.274 41.208 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -54.987 6.853 41.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -53.514 4.211 41.132 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -53.137 5.780 40.450 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -51.797 4.884 42.652 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -52.176 6.587 42.484 1.00 0.00 H new ATOM 153 N LYS A 10 -55.415 3.034 43.414 1.00 0.00 N ATOM 154 CA LYS A 10 -56.020 1.809 44.021 1.00 0.00 C ATOM 155 C LYS A 10 -54.991 0.628 44.105 1.00 0.00 C ATOM 156 O LYS A 10 -54.000 0.604 43.376 1.00 0.00 O ATOM 157 CB LYS A 10 -57.384 1.424 43.347 1.00 0.00 C ATOM 158 CG LYS A 10 -57.429 0.965 41.861 1.00 0.00 C ATOM 159 CD LYS A 10 -56.842 -0.423 41.509 1.00 0.00 C ATOM 160 CE LYS A 10 -57.514 -1.632 42.197 1.00 0.00 C ATOM 161 NZ LYS A 10 -56.726 -2.854 41.865 1.00 0.00 N ATOM 0 H LYS A 10 -54.630 2.840 42.792 1.00 0.00 H new ATOM 0 HA LYS A 10 -56.273 2.045 45.055 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -57.823 0.625 43.944 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -58.042 2.288 43.437 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -58.470 0.978 41.539 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -56.902 1.711 41.266 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -56.907 -0.561 40.430 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -55.783 -0.425 41.767 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -57.549 -1.484 43.276 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -58.544 -1.739 41.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -57.278 -3.700 42.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -56.513 -2.864 40.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -55.837 -2.851 42.405 1.00 0.00 H new ATOM 175 N SER A 11 -55.283 -0.380 44.944 1.00 0.00 N ATOM 176 CA SER A 11 -54.448 -1.612 45.141 1.00 0.00 C ATOM 177 C SER A 11 -53.685 -2.287 43.915 1.00 0.00 C ATOM 178 O SER A 11 -54.194 -2.251 42.789 1.00 0.00 O ATOM 179 CB SER A 11 -55.447 -2.593 45.823 1.00 0.00 C ATOM 180 OG SER A 11 -54.947 -3.927 45.943 1.00 0.00 O ATOM 0 H SER A 11 -56.122 -0.376 45.524 1.00 0.00 H new ATOM 0 HA SER A 11 -53.563 -1.326 45.710 1.00 0.00 H new ATOM 0 HB2 SER A 11 -55.694 -2.216 46.815 1.00 0.00 H new ATOM 0 HB3 SER A 11 -56.374 -2.611 45.250 1.00 0.00 H new ATOM 0 HG SER A 11 -55.258 -4.462 45.183 1.00 0.00 H new ATOM 186 N PRO A 12 -52.498 -2.955 44.072 1.00 0.00 N ATOM 187 CA PRO A 12 -51.825 -3.710 42.970 1.00 0.00 C ATOM 188 C PRO A 12 -52.550 -4.994 42.431 1.00 0.00 C ATOM 189 O PRO A 12 -52.464 -5.289 41.236 1.00 0.00 O ATOM 190 CB PRO A 12 -50.437 -3.983 43.586 1.00 0.00 C ATOM 191 CG PRO A 12 -50.695 -4.084 45.090 1.00 0.00 C ATOM 192 CD PRO A 12 -51.780 -3.049 45.353 1.00 0.00 C ATOM 0 HA PRO A 12 -51.811 -3.137 42.043 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -50.004 -4.904 43.195 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -49.737 -3.180 43.357 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -51.023 -5.085 45.372 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -49.793 -3.870 45.664 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -52.443 -3.361 46.160 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -51.354 -2.089 45.644 1.00 0.00 H new ATOM 200 N SER A 13 -53.260 -5.740 43.290 1.00 0.00 N ATOM 201 CA SER A 13 -54.443 -6.528 42.851 1.00 0.00 C ATOM 202 C SER A 13 -55.717 -5.644 42.878 1.00 0.00 C ATOM 203 O SER A 13 -55.989 -4.930 43.871 1.00 0.00 O ATOM 204 CB SER A 13 -54.583 -7.801 43.707 1.00 0.00 C ATOM 205 OG SER A 13 -53.489 -8.699 43.494 1.00 0.00 O ATOM 206 OXT SER A 13 -56.424 -5.590 41.851 1.00 0.00 O ATOM 0 H SER A 13 -53.047 -5.820 44.284 1.00 0.00 H new ATOM 0 HA SER A 13 -54.304 -6.853 41.820 1.00 0.00 H new ATOM 0 HB2 SER A 13 -54.631 -7.528 44.761 1.00 0.00 H new ATOM 0 HB3 SER A 13 -55.520 -8.303 43.464 1.00 0.00 H new ATOM 0 HG SER A 13 -52.764 -8.485 44.118 1.00 0.00 H new TER 212 SER A 13 ATOM 213 N LYS B 1 -33.118 10.115 32.838 1.00 0.00 N ATOM 214 CA LYS B 1 -33.876 11.342 33.225 1.00 0.00 C ATOM 215 C LYS B 1 -35.050 10.980 34.214 1.00 0.00 C ATOM 216 O LYS B 1 -36.154 10.636 33.788 1.00 0.00 O ATOM 217 CB LYS B 1 -34.331 12.060 31.912 1.00 0.00 C ATOM 218 CG LYS B 1 -35.312 13.266 32.013 1.00 0.00 C ATOM 219 CD LYS B 1 -34.787 14.522 32.754 1.00 0.00 C ATOM 220 CE LYS B 1 -35.826 15.665 32.874 1.00 0.00 C ATOM 221 NZ LYS B 1 -35.978 16.424 31.594 1.00 0.00 N ATOM 0 H1 LYS B 1 -32.349 10.373 32.187 1.00 0.00 H new ATOM 0 H2 LYS B 1 -32.717 9.672 33.689 1.00 0.00 H new ATOM 0 H3 LYS B 1 -33.759 9.444 32.368 1.00 0.00 H new ATOM 0 HA LYS B 1 -33.253 12.042 33.782 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -33.434 12.407 31.399 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -34.795 11.311 31.271 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -35.597 13.560 31.003 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -36.219 12.928 32.515 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -34.464 14.232 33.754 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -33.908 14.898 32.231 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -36.790 15.249 33.165 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -35.522 16.349 33.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -36.913 16.878 31.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -35.238 17.152 31.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -35.889 15.770 30.790 1.00 0.00 H new ATOM 237 N LEU B 2 -34.792 11.059 35.525 1.00 0.00 N ATOM 238 CA LEU B 2 -35.841 11.091 36.596 1.00 0.00 C ATOM 239 C LEU B 2 -35.363 12.037 37.777 1.00 0.00 C ATOM 240 O LEU B 2 -34.232 12.544 37.709 1.00 0.00 O ATOM 241 CB LEU B 2 -36.211 9.636 37.031 1.00 0.00 C ATOM 242 CG LEU B 2 -35.130 8.867 37.837 1.00 0.00 C ATOM 243 CD1 LEU B 2 -35.473 8.898 39.328 1.00 0.00 C ATOM 244 CD2 LEU B 2 -34.995 7.406 37.382 1.00 0.00 C ATOM 0 H LEU B 2 -33.842 11.104 35.895 1.00 0.00 H new ATOM 0 HA LEU B 2 -36.769 11.523 36.222 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -37.120 9.678 37.631 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -36.446 9.060 36.136 1.00 0.00 H new ATOM 0 HG LEU B 2 -34.178 9.365 37.655 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -34.711 8.357 39.888 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -35.510 9.932 39.671 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -36.443 8.428 39.488 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -34.227 6.910 37.975 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -35.947 6.893 37.519 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -34.715 7.377 36.329 1.00 0.00 H new ATOM 256 N PRO B 3 -36.137 12.327 38.865 1.00 0.00 N ATOM 257 CA PRO B 3 -35.681 13.264 39.926 1.00 0.00 C ATOM 258 C PRO B 3 -34.608 12.823 41.005 1.00 0.00 C ATOM 259 O PRO B 3 -34.455 11.627 41.291 1.00 0.00 O ATOM 260 CB PRO B 3 -37.011 13.742 40.525 1.00 0.00 C ATOM 261 CG PRO B 3 -38.147 13.197 39.676 1.00 0.00 C ATOM 262 CD PRO B 3 -37.564 11.975 38.986 1.00 0.00 C ATOM 0 HA PRO B 3 -35.049 14.025 39.470 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -37.108 13.397 41.554 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -37.045 14.831 40.549 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -39.008 12.932 40.290 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -38.488 13.936 38.951 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -37.710 11.069 39.574 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -38.023 11.801 38.013 1.00 0.00 H new ATOM 270 N PRO B 4 -33.864 13.770 41.660 1.00 0.00 N ATOM 271 CA PRO B 4 -32.782 13.431 42.620 1.00 0.00 C ATOM 272 C PRO B 4 -33.324 13.034 44.031 1.00 0.00 C ATOM 273 O PRO B 4 -34.095 13.764 44.663 1.00 0.00 O ATOM 274 CB PRO B 4 -31.950 14.729 42.599 1.00 0.00 C ATOM 275 CG PRO B 4 -32.962 15.854 42.366 1.00 0.00 C ATOM 276 CD PRO B 4 -34.039 15.225 41.481 1.00 0.00 C ATOM 0 HA PRO B 4 -32.202 12.547 42.357 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -31.416 14.869 43.539 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -31.201 14.703 41.807 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -33.381 16.212 43.307 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -32.497 16.711 41.877 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -35.037 15.545 41.783 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -33.914 15.514 40.438 1.00 0.00 H new ATOM 284 N GLY B 5 -32.940 11.842 44.496 1.00 0.00 N ATOM 285 CA GLY B 5 -33.625 11.184 45.645 1.00 0.00 C ATOM 286 C GLY B 5 -34.783 10.205 45.335 1.00 0.00 C ATOM 287 O GLY B 5 -35.658 10.044 46.186 1.00 0.00 O ATOM 0 H GLY B 5 -32.165 11.305 44.107 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -32.872 10.641 46.216 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -34.015 11.967 46.295 1.00 0.00 H new ATOM 291 N TRP B 6 -34.765 9.501 44.194 1.00 0.00 N ATOM 292 CA TRP B 6 -35.703 8.405 43.891 1.00 0.00 C ATOM 293 C TRP B 6 -35.034 7.011 43.783 1.00 0.00 C ATOM 294 O TRP B 6 -33.838 6.898 43.493 1.00 0.00 O ATOM 295 CB TRP B 6 -36.230 8.831 42.498 1.00 0.00 C ATOM 296 CG TRP B 6 -37.500 9.642 42.570 1.00 0.00 C ATOM 297 CD1 TRP B 6 -37.550 11.036 42.581 1.00 0.00 C ATOM 298 CD2 TRP B 6 -38.788 9.205 42.705 1.00 0.00 C ATOM 299 NE1 TRP B 6 -38.855 11.511 42.765 1.00 0.00 N ATOM 300 CE2 TRP B 6 -39.603 10.359 42.869 1.00 0.00 C ATOM 301 CE3 TRP B 6 -39.368 7.914 42.546 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -41.000 10.237 42.822 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -40.757 7.835 42.637 1.00 0.00 C ATOM 304 CH2 TRP B 6 -41.564 8.968 42.757 1.00 0.00 C ATOM 0 H TRP B 6 -34.093 9.676 43.447 1.00 0.00 H new ATOM 0 HA TRP B 6 -36.450 8.283 44.675 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -35.462 9.413 41.988 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -36.408 7.940 41.895 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -36.686 11.673 42.462 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -39.175 12.478 42.811 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -38.762 7.039 42.364 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -41.628 11.116 42.836 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -41.226 6.862 42.614 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -42.637 8.857 42.800 1.00 0.00 H new ATOM 315 N GLU B 7 -35.851 5.940 43.866 1.00 0.00 N ATOM 316 CA GLU B 7 -35.540 4.683 43.167 1.00 0.00 C ATOM 317 C GLU B 7 -36.833 3.917 42.704 1.00 0.00 C ATOM 318 O GLU B 7 -37.838 4.514 42.303 1.00 0.00 O ATOM 319 CB GLU B 7 -34.507 3.914 44.074 1.00 0.00 C ATOM 320 CG GLU B 7 -33.615 2.830 43.409 1.00 0.00 C ATOM 321 CD GLU B 7 -33.792 1.423 43.939 1.00 0.00 C ATOM 322 OE1 GLU B 7 -33.556 1.181 45.140 1.00 0.00 O ATOM 323 OE2 GLU B 7 -34.195 0.546 43.156 1.00 0.00 O ATOM 0 H GLU B 7 -36.718 5.923 44.403 1.00 0.00 H new ATOM 0 HA GLU B 7 -35.058 4.838 42.202 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -33.849 4.653 44.531 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.062 3.439 44.883 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -33.819 2.824 42.338 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -32.571 3.117 43.533 1.00 0.00 H new ATOM 330 N LYS B 8 -36.770 2.582 42.666 1.00 0.00 N ATOM 331 CA LYS B 8 -37.709 1.713 41.900 1.00 0.00 C ATOM 332 C LYS B 8 -37.987 0.375 42.660 1.00 0.00 C ATOM 333 O LYS B 8 -37.051 -0.373 42.966 1.00 0.00 O ATOM 334 CB LYS B 8 -37.240 1.597 40.413 1.00 0.00 C ATOM 335 CG LYS B 8 -35.880 0.929 40.103 1.00 0.00 C ATOM 336 CD LYS B 8 -35.987 -0.602 39.905 1.00 0.00 C ATOM 337 CE LYS B 8 -34.617 -1.316 39.917 1.00 0.00 C ATOM 338 NZ LYS B 8 -34.184 -1.416 41.353 1.00 0.00 N ATOM 0 H LYS B 8 -36.058 2.053 43.170 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.697 2.169 41.836 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.008 1.047 39.868 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -37.214 2.604 39.997 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -35.459 1.377 39.203 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.186 1.136 40.918 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.614 -1.020 40.692 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.487 -0.805 38.958 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.695 -2.306 39.468 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.886 -0.757 39.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.152 -1.535 41.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.454 -0.548 41.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.646 -2.234 41.799 1.00 0.00 H new ATOM 352 N ARG B 9 -39.248 0.084 43.056 1.00 0.00 N ATOM 353 CA ARG B 9 -39.519 -0.943 44.116 1.00 0.00 C ATOM 354 C ARG B 9 -40.756 -1.793 43.793 1.00 0.00 C ATOM 355 O ARG B 9 -41.842 -1.252 43.602 1.00 0.00 O ATOM 356 CB ARG B 9 -39.676 -0.341 45.533 1.00 0.00 C ATOM 357 CG ARG B 9 -38.429 0.414 46.005 1.00 0.00 C ATOM 358 CD ARG B 9 -38.214 0.455 47.535 1.00 0.00 C ATOM 359 NE ARG B 9 -37.094 1.368 47.921 1.00 0.00 N ATOM 360 CZ ARG B 9 -35.845 1.270 47.439 1.00 0.00 C ATOM 361 NH1 ARG B 9 -35.345 0.180 46.934 1.00 0.00 N ATOM 362 NH2 ARG B 9 -35.085 2.308 47.410 1.00 0.00 N ATOM 0 H ARG B 9 -40.083 0.528 42.674 1.00 0.00 H new ATOM 0 HA ARG B 9 -38.632 -1.577 44.117 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -40.529 0.337 45.541 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -39.898 -1.141 46.239 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.553 -0.043 45.545 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.485 1.438 45.636 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -39.133 0.783 48.021 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -38.003 -0.551 47.898 1.00 0.00 H new ATOM 0 HE ARG B 9 -37.291 2.111 48.592 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -35.911 -0.667 46.888 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.387 0.173 46.584 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -35.432 3.204 47.753 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -34.136 2.235 47.044 1.00 0.00 H new ATOM 376 N MET B 10 -40.558 -3.108 43.707 1.00 0.00 N ATOM 377 CA MET B 10 -41.392 -3.966 42.824 1.00 0.00 C ATOM 378 C MET B 10 -42.337 -5.009 43.486 1.00 0.00 C ATOM 379 O MET B 10 -41.951 -5.735 44.403 1.00 0.00 O ATOM 380 CB MET B 10 -40.478 -4.646 41.770 1.00 0.00 C ATOM 381 CG MET B 10 -39.954 -3.683 40.687 1.00 0.00 C ATOM 382 SD MET B 10 -39.593 -4.591 39.175 1.00 0.00 S ATOM 383 CE MET B 10 -41.236 -4.518 38.436 1.00 0.00 C ATOM 0 H MET B 10 -39.839 -3.611 44.227 1.00 0.00 H new ATOM 0 HA MET B 10 -42.102 -3.269 42.378 1.00 0.00 H new ATOM 0 HB2 MET B 10 -39.629 -5.102 42.279 1.00 0.00 H new ATOM 0 HB3 MET B 10 -41.032 -5.452 41.289 1.00 0.00 H new ATOM 0 HG2 MET B 10 -40.695 -2.909 40.488 1.00 0.00 H new ATOM 0 HG3 MET B 10 -39.055 -3.179 41.041 1.00 0.00 H new ATOM 0 HE1 MET B 10 -41.364 -5.355 37.749 1.00 0.00 H new ATOM 0 HE2 MET B 10 -41.991 -4.574 39.221 1.00 0.00 H new ATOM 0 HE3 MET B 10 -41.348 -3.581 37.891 1.00 0.00 H new ATOM 393 N SER B 11 -43.537 -5.178 42.884 1.00 0.00 N ATOM 394 CA SER B 11 -44.336 -6.436 43.011 1.00 0.00 C ATOM 395 C SER B 11 -44.906 -6.823 44.424 1.00 0.00 C ATOM 396 O SER B 11 -44.696 -7.923 44.939 1.00 0.00 O ATOM 397 CB SER B 11 -43.644 -7.590 42.250 1.00 0.00 C ATOM 398 OG SER B 11 -43.457 -7.281 40.867 1.00 0.00 O ATOM 0 H SER B 11 -43.979 -4.465 42.305 1.00 0.00 H new ATOM 0 HA SER B 11 -45.281 -6.205 42.520 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.678 -7.799 42.709 1.00 0.00 H new ATOM 0 HB3 SER B 11 -44.243 -8.496 42.342 1.00 0.00 H new ATOM 0 HG SER B 11 -43.016 -8.033 40.420 1.00 0.00 H new ATOM 404 N ARG B 12 -45.780 -5.964 44.971 1.00 0.00 N ATOM 405 CA ARG B 12 -46.785 -6.373 46.006 1.00 0.00 C ATOM 406 C ARG B 12 -47.897 -7.379 45.521 1.00 0.00 C ATOM 407 O ARG B 12 -48.430 -8.156 46.315 1.00 0.00 O ATOM 408 CB ARG B 12 -47.426 -5.073 46.568 1.00 0.00 C ATOM 409 CG ARG B 12 -46.610 -4.318 47.648 1.00 0.00 C ATOM 410 CD ARG B 12 -47.214 -2.970 48.098 1.00 0.00 C ATOM 411 NE ARG B 12 -48.556 -3.151 48.727 1.00 0.00 N ATOM 412 CZ ARG B 12 -49.004 -2.560 49.826 1.00 0.00 C ATOM 413 NH1 ARG B 12 -48.366 -1.658 50.498 1.00 0.00 N ATOM 414 NH2 ARG B 12 -50.208 -2.820 50.201 1.00 0.00 N ATOM 0 H ARG B 12 -45.823 -4.976 44.723 1.00 0.00 H new ATOM 0 HA ARG B 12 -46.248 -6.937 46.769 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -47.605 -4.392 45.736 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -48.399 -5.325 46.988 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -46.507 -4.963 48.521 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -45.606 -4.139 47.264 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -46.541 -2.488 48.807 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -47.301 -2.305 47.239 1.00 0.00 H new ATOM 0 HE ARG B 12 -49.195 -3.797 48.263 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -47.443 -1.351 50.191 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -48.785 -1.254 51.335 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -50.784 -3.463 49.657 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -50.586 -2.383 51.042 1.00 0.00 H new ATOM 428 N SER B 13 -48.274 -7.356 44.237 1.00 0.00 N ATOM 429 CA SER B 13 -48.891 -8.522 43.548 1.00 0.00 C ATOM 430 C SER B 13 -48.191 -8.710 42.163 1.00 0.00 C ATOM 431 O SER B 13 -47.931 -7.730 41.461 1.00 0.00 O ATOM 432 CB SER B 13 -50.410 -8.286 43.429 1.00 0.00 C ATOM 433 OG SER B 13 -51.030 -8.270 44.717 1.00 0.00 O ATOM 0 H SER B 13 -48.165 -6.537 43.638 1.00 0.00 H new ATOM 0 HA SER B 13 -48.752 -9.444 44.113 1.00 0.00 H new ATOM 0 HB2 SER B 13 -50.596 -7.340 42.921 1.00 0.00 H new ATOM 0 HB3 SER B 13 -50.856 -9.070 42.817 1.00 0.00 H new ATOM 0 HG SER B 13 -50.341 -8.315 45.412 1.00 0.00 H new ATOM 439 N SER B 14 -47.868 -9.959 41.780 1.00 0.00 N ATOM 440 CA SER B 14 -46.932 -10.311 40.664 1.00 0.00 C ATOM 441 C SER B 14 -46.894 -9.401 39.384 1.00 0.00 C ATOM 442 O SER B 14 -47.802 -9.420 38.545 1.00 0.00 O ATOM 443 CB SER B 14 -47.195 -11.792 40.292 1.00 0.00 C ATOM 444 OG SER B 14 -46.972 -12.664 41.405 1.00 0.00 O ATOM 0 H SER B 14 -48.254 -10.782 42.242 1.00 0.00 H new ATOM 0 HA SER B 14 -45.935 -10.128 41.065 1.00 0.00 H new ATOM 0 HB2 SER B 14 -48.221 -11.903 39.943 1.00 0.00 H new ATOM 0 HB3 SER B 14 -46.544 -12.081 39.467 1.00 0.00 H new ATOM 0 HG SER B 14 -47.149 -13.590 41.136 1.00 0.00 H new ATOM 450 N GLY B 15 -45.856 -8.558 39.315 1.00 0.00 N ATOM 451 CA GLY B 15 -45.705 -7.517 38.254 1.00 0.00 C ATOM 452 C GLY B 15 -46.103 -6.052 38.574 1.00 0.00 C ATOM 453 O GLY B 15 -46.001 -5.216 37.676 1.00 0.00 O ATOM 0 H GLY B 15 -45.089 -8.567 39.987 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -44.660 -7.513 37.943 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -46.293 -7.837 37.393 1.00 0.00 H new ATOM 457 N ARG B 16 -46.585 -5.725 39.787 1.00 0.00 N ATOM 458 CA ARG B 16 -47.245 -4.422 40.077 1.00 0.00 C ATOM 459 C ARG B 16 -46.615 -3.697 41.314 1.00 0.00 C ATOM 460 O ARG B 16 -46.487 -4.253 42.405 1.00 0.00 O ATOM 461 CB ARG B 16 -48.782 -4.621 40.220 1.00 0.00 C ATOM 462 CG ARG B 16 -49.524 -5.030 38.914 1.00 0.00 C ATOM 463 CD ARG B 16 -49.733 -6.551 38.743 1.00 0.00 C ATOM 464 NE ARG B 16 -50.937 -6.956 39.514 1.00 0.00 N ATOM 465 CZ ARG B 16 -51.360 -8.184 39.739 1.00 0.00 C ATOM 466 NH1 ARG B 16 -50.740 -9.253 39.331 1.00 0.00 N ATOM 467 NH2 ARG B 16 -52.454 -8.313 40.414 1.00 0.00 N ATOM 0 H ARG B 16 -46.533 -6.346 40.594 1.00 0.00 H new ATOM 0 HA ARG B 16 -47.070 -3.757 39.231 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -48.964 -5.385 40.976 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -49.219 -3.694 40.591 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -50.497 -4.538 38.895 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -48.961 -4.655 38.059 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -49.858 -6.799 37.689 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -48.857 -7.095 39.097 1.00 0.00 H new ATOM 0 HE ARG B 16 -51.497 -6.202 39.912 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -49.872 -9.169 38.803 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -51.122 -10.175 39.540 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -52.949 -7.485 40.746 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -52.823 -9.243 40.615 1.00 0.00 H new ATOM 481 N VAL B 17 -46.251 -2.431 41.104 1.00 0.00 N ATOM 482 CA VAL B 17 -45.277 -1.649 41.930 1.00 0.00 C ATOM 483 C VAL B 17 -43.850 -1.597 41.275 1.00 0.00 C ATOM 484 O VAL B 17 -43.419 -2.573 40.656 1.00 0.00 O ATOM 485 CB VAL B 17 -45.506 -1.510 43.488 1.00 0.00 C ATOM 486 CG1 VAL B 17 -44.819 -2.518 44.422 1.00 0.00 C ATOM 487 CG2 VAL B 17 -45.165 -0.118 44.060 1.00 0.00 C ATOM 0 H VAL B 17 -46.630 -1.885 40.330 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.572 -0.601 41.886 1.00 0.00 H new ATOM 0 HB VAL B 17 -46.576 -1.718 43.497 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -45.075 -2.288 45.456 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -45.156 -3.526 44.180 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -43.738 -2.456 44.293 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -45.351 -0.110 45.134 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -44.115 0.105 43.872 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -45.788 0.636 43.579 1.00 0.00 H new ATOM 497 N TYR B 18 -43.206 -0.405 41.254 1.00 0.00 N ATOM 498 CA TYR B 18 -41.958 -0.095 40.509 1.00 0.00 C ATOM 499 C TYR B 18 -41.332 1.336 40.781 1.00 0.00 C ATOM 500 O TYR B 18 -40.325 1.654 40.158 1.00 0.00 O ATOM 501 CB TYR B 18 -42.020 -0.472 38.995 1.00 0.00 C ATOM 502 CG TYR B 18 -43.299 -0.081 38.238 1.00 0.00 C ATOM 503 CD1 TYR B 18 -43.596 1.269 38.078 1.00 0.00 C ATOM 504 CD2 TYR B 18 -44.301 -1.037 38.042 1.00 0.00 C ATOM 505 CE1 TYR B 18 -44.902 1.672 37.832 1.00 0.00 C ATOM 506 CE2 TYR B 18 -45.612 -0.633 37.820 1.00 0.00 C ATOM 507 CZ TYR B 18 -45.917 0.721 37.714 1.00 0.00 C ATOM 508 OH TYR B 18 -47.227 1.106 37.609 1.00 0.00 O ATOM 0 H TYR B 18 -43.554 0.400 41.776 1.00 0.00 H new ATOM 0 HA TYR B 18 -41.231 -0.774 40.954 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -41.172 -0.006 38.493 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -41.889 -1.551 38.907 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.809 2.005 38.145 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -44.056 -2.089 38.063 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -45.133 2.722 37.732 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -46.396 -1.371 37.730 1.00 0.00 H new ATOM 0 HH TYR B 18 -47.306 2.059 37.824 1.00 0.00 H new ATOM 518 N TYR B 19 -41.773 2.148 41.760 1.00 0.00 N ATOM 519 CA TYR B 19 -41.236 3.533 42.037 1.00 0.00 C ATOM 520 C TYR B 19 -41.274 3.914 43.569 1.00 0.00 C ATOM 521 O TYR B 19 -42.170 3.544 44.333 1.00 0.00 O ATOM 522 CB TYR B 19 -41.952 4.585 41.138 1.00 0.00 C ATOM 523 CG TYR B 19 -41.370 4.882 39.743 1.00 0.00 C ATOM 524 CD1 TYR B 19 -40.107 5.468 39.586 1.00 0.00 C ATOM 525 CD2 TYR B 19 -42.132 4.600 38.606 1.00 0.00 C ATOM 526 CE1 TYR B 19 -39.593 5.706 38.313 1.00 0.00 C ATOM 527 CE2 TYR B 19 -41.616 4.833 37.333 1.00 0.00 C ATOM 528 CZ TYR B 19 -40.345 5.380 37.189 1.00 0.00 C ATOM 529 OH TYR B 19 -39.821 5.586 35.942 1.00 0.00 O ATOM 0 H TYR B 19 -42.520 1.876 42.399 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.179 3.533 41.773 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.983 4.258 41.004 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -41.985 5.524 41.690 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.528 5.737 40.457 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -43.129 4.198 38.715 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -38.612 6.143 38.199 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -42.202 4.589 36.459 1.00 0.00 H new ATOM 0 HH TYR B 19 -40.471 5.306 35.264 1.00 0.00 H new ATOM 539 N PHE B 20 -40.269 4.674 44.028 1.00 0.00 N ATOM 540 CA PHE B 20 -40.131 5.122 45.456 1.00 0.00 C ATOM 541 C PHE B 20 -39.338 6.464 45.593 1.00 0.00 C ATOM 542 O PHE B 20 -38.205 6.556 45.128 1.00 0.00 O ATOM 543 CB PHE B 20 -39.430 3.962 46.233 1.00 0.00 C ATOM 544 CG PHE B 20 -39.041 4.206 47.705 1.00 0.00 C ATOM 545 CD1 PHE B 20 -37.797 4.735 48.021 1.00 0.00 C ATOM 546 CD2 PHE B 20 -39.922 3.896 48.725 1.00 0.00 C ATOM 547 CE1 PHE B 20 -37.438 4.952 49.347 1.00 0.00 C ATOM 548 CE2 PHE B 20 -39.575 4.117 50.054 1.00 0.00 C ATOM 549 CZ PHE B 20 -38.309 4.638 50.421 1.00 0.00 C ATOM 0 H PHE B 20 -39.514 5.007 43.428 1.00 0.00 H new ATOM 0 HA PHE B 20 -41.116 5.331 45.873 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -40.088 3.094 46.201 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -38.524 3.695 45.688 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -37.103 4.980 47.231 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -40.889 3.478 48.487 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -36.467 5.372 49.565 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -40.291 3.885 50.828 1.00 0.00 H new ATOM 0 HZ PHE B 20 -38.026 4.786 51.453 1.00 0.00 H new ATOM 559 N ASN B 21 -39.851 7.465 46.321 1.00 0.00 N ATOM 560 CA ASN B 21 -39.069 8.677 46.701 1.00 0.00 C ATOM 561 C ASN B 21 -38.389 8.493 48.107 1.00 0.00 C ATOM 562 O ASN B 21 -39.065 8.243 49.107 1.00 0.00 O ATOM 563 CB ASN B 21 -40.040 9.892 46.663 1.00 0.00 C ATOM 564 CG ASN B 21 -39.480 11.299 46.421 1.00 0.00 C ATOM 565 OD1 ASN B 21 -40.114 12.137 45.795 1.00 0.00 O ATOM 566 ND2 ASN B 21 -38.335 11.669 46.928 1.00 0.00 N ATOM 0 H ASN B 21 -40.811 7.470 46.667 1.00 0.00 H new ATOM 0 HA ASN B 21 -38.252 8.847 46.000 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -40.778 9.696 45.885 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -40.575 9.912 47.612 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -38.003 12.624 46.794 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -37.773 11.003 47.458 1.00 0.00 H new ATOM 573 N HIS B 22 -37.060 8.667 48.206 1.00 0.00 N ATOM 574 CA HIS B 22 -36.330 8.649 49.516 1.00 0.00 C ATOM 575 C HIS B 22 -36.623 9.856 50.474 1.00 0.00 C ATOM 576 O HIS B 22 -36.754 9.670 51.683 1.00 0.00 O ATOM 577 CB HIS B 22 -34.802 8.545 49.228 1.00 0.00 C ATOM 578 CG HIS B 22 -34.302 7.166 48.817 1.00 0.00 C ATOM 579 ND1 HIS B 22 -33.661 6.311 49.686 1.00 0.00 N ATOM 580 CD2 HIS B 22 -34.419 6.566 47.553 1.00 0.00 C ATOM 581 CE1 HIS B 22 -33.427 5.253 48.855 1.00 0.00 C ATOM 582 NE2 HIS B 22 -33.871 5.291 47.560 1.00 0.00 N ATOM 0 H HIS B 22 -36.455 8.823 47.400 1.00 0.00 H new ATOM 0 HA HIS B 22 -36.703 7.781 50.060 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -34.550 9.253 48.439 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -34.260 8.857 50.121 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -34.874 7.033 46.692 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -32.893 4.388 49.218 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -33.815 4.591 46.821 1.00 0.00 H new ATOM 590 N ILE B 23 -36.687 11.084 49.935 1.00 0.00 N ATOM 591 CA ILE B 23 -36.766 12.349 50.732 1.00 0.00 C ATOM 592 C ILE B 23 -38.162 12.540 51.435 1.00 0.00 C ATOM 593 O ILE B 23 -38.221 12.710 52.654 1.00 0.00 O ATOM 594 CB ILE B 23 -36.318 13.587 49.853 1.00 0.00 C ATOM 595 CG1 ILE B 23 -35.076 13.347 48.930 1.00 0.00 C ATOM 596 CG2 ILE B 23 -36.079 14.827 50.757 1.00 0.00 C ATOM 597 CD1 ILE B 23 -34.678 14.496 47.986 1.00 0.00 C ATOM 0 H ILE B 23 -36.686 11.243 48.928 1.00 0.00 H new ATOM 0 HA ILE B 23 -36.057 12.274 51.557 1.00 0.00 H new ATOM 0 HB ILE B 23 -37.148 13.758 49.168 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -34.220 13.118 49.565 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -35.269 12.462 48.324 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -35.771 15.672 50.141 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -37.001 15.077 51.282 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -35.297 14.603 51.483 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -33.805 14.202 47.403 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -35.506 14.717 47.313 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -34.441 15.383 48.573 1.00 0.00 H new ATOM 609 N THR B 24 -39.274 12.499 50.680 1.00 0.00 N ATOM 610 CA THR B 24 -40.658 12.472 51.255 1.00 0.00 C ATOM 611 C THR B 24 -41.226 11.098 51.753 1.00 0.00 C ATOM 612 O THR B 24 -42.283 11.113 52.392 1.00 0.00 O ATOM 613 CB THR B 24 -41.649 13.146 50.249 1.00 0.00 C ATOM 614 OG1 THR B 24 -42.984 13.148 50.751 1.00 0.00 O ATOM 615 CG2 THR B 24 -41.706 12.641 48.803 1.00 0.00 C ATOM 0 H THR B 24 -39.255 12.483 49.660 1.00 0.00 H new ATOM 0 HA THR B 24 -40.563 13.033 52.185 1.00 0.00 H new ATOM 0 HB THR B 24 -41.204 14.139 50.182 1.00 0.00 H new ATOM 0 HG1 THR B 24 -43.061 12.497 51.479 1.00 0.00 H new ATOM 0 HG21 THR B 24 -42.444 13.218 48.245 1.00 0.00 H new ATOM 0 HG22 THR B 24 -40.727 12.758 48.338 1.00 0.00 H new ATOM 0 HG23 THR B 24 -41.988 11.588 48.796 1.00 0.00 H new ATOM 623 N ASN B 25 -40.656 9.930 51.395 1.00 0.00 N ATOM 624 CA ASN B 25 -41.371 8.618 51.475 1.00 0.00 C ATOM 625 C ASN B 25 -42.665 8.470 50.577 1.00 0.00 C ATOM 626 O ASN B 25 -43.426 7.516 50.771 1.00 0.00 O ATOM 627 CB ASN B 25 -41.517 8.184 52.970 1.00 0.00 C ATOM 628 CG ASN B 25 -41.776 6.697 53.225 1.00 0.00 C ATOM 629 OD1 ASN B 25 -42.909 6.240 53.352 1.00 0.00 O ATOM 630 ND2 ASN B 25 -40.747 5.898 53.323 1.00 0.00 N ATOM 0 H ASN B 25 -39.701 9.857 51.045 1.00 0.00 H new ATOM 0 HA ASN B 25 -40.737 7.879 50.985 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -40.607 8.468 53.499 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -42.334 8.754 53.413 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -40.888 4.904 53.503 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -39.802 6.268 53.219 1.00 0.00 H new ATOM 637 N ALA B 26 -42.894 9.318 49.542 1.00 0.00 N ATOM 638 CA ALA B 26 -43.870 9.021 48.451 1.00 0.00 C ATOM 639 C ALA B 26 -43.547 7.697 47.673 1.00 0.00 C ATOM 640 O ALA B 26 -42.667 7.637 46.813 1.00 0.00 O ATOM 641 CB ALA B 26 -43.927 10.233 47.509 1.00 0.00 C ATOM 0 H ALA B 26 -42.418 10.214 49.436 1.00 0.00 H new ATOM 0 HA ALA B 26 -44.848 8.850 48.901 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -44.635 10.035 46.704 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -44.248 11.113 48.067 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -42.938 10.412 47.086 1.00 0.00 H new ATOM 647 N SER B 27 -44.219 6.615 48.077 1.00 0.00 N ATOM 648 CA SER B 27 -43.910 5.241 47.611 1.00 0.00 C ATOM 649 C SER B 27 -45.103 4.726 46.768 1.00 0.00 C ATOM 650 O SER B 27 -46.254 4.776 47.219 1.00 0.00 O ATOM 651 CB SER B 27 -43.646 4.340 48.830 1.00 0.00 C ATOM 652 OG SER B 27 -42.737 4.911 49.776 1.00 0.00 O ATOM 0 H SER B 27 -44.995 6.657 48.737 1.00 0.00 H new ATOM 0 HA SER B 27 -43.016 5.232 46.988 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.592 4.130 49.328 1.00 0.00 H new ATOM 0 HB3 SER B 27 -43.248 3.385 48.487 1.00 0.00 H new ATOM 0 HG SER B 27 -41.829 4.591 49.591 1.00 0.00 H new ATOM 658 N GLN B 28 -44.841 4.342 45.515 1.00 0.00 N ATOM 659 CA GLN B 28 -45.885 4.358 44.457 1.00 0.00 C ATOM 660 C GLN B 28 -45.625 3.397 43.258 1.00 0.00 C ATOM 661 O GLN B 28 -44.519 2.937 42.967 1.00 0.00 O ATOM 662 CB GLN B 28 -46.152 5.833 44.017 1.00 0.00 C ATOM 663 CG GLN B 28 -45.006 6.567 43.285 1.00 0.00 C ATOM 664 CD GLN B 28 -45.085 8.086 43.431 1.00 0.00 C ATOM 665 OE1 GLN B 28 -44.700 8.659 44.444 1.00 0.00 O ATOM 666 NE2 GLN B 28 -45.596 8.798 42.463 1.00 0.00 N ATOM 0 H GLN B 28 -43.927 4.017 45.199 1.00 0.00 H new ATOM 0 HA GLN B 28 -46.793 3.946 44.898 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -47.027 5.839 43.367 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -46.410 6.410 44.905 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -44.050 6.219 43.676 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.032 6.307 42.227 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -45.922 8.341 41.611 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -45.669 9.811 42.558 1.00 0.00 H new ATOM 675 N TRP B 29 -46.703 3.167 42.508 1.00 0.00 N ATOM 676 CA TRP B 29 -46.633 2.476 41.179 1.00 0.00 C ATOM 677 C TRP B 29 -46.735 3.478 39.980 1.00 0.00 C ATOM 678 O TRP B 29 -47.522 3.306 39.044 1.00 0.00 O ATOM 679 CB TRP B 29 -47.651 1.297 41.170 1.00 0.00 C ATOM 680 CG TRP B 29 -49.167 1.551 41.098 1.00 0.00 C ATOM 681 CD1 TRP B 29 -49.875 2.695 41.525 1.00 0.00 C ATOM 682 CD2 TRP B 29 -50.140 0.645 40.708 1.00 0.00 C ATOM 683 NE1 TRP B 29 -51.264 2.512 41.444 1.00 0.00 N ATOM 684 CE2 TRP B 29 -51.406 1.243 40.919 1.00 0.00 C ATOM 685 CE3 TRP B 29 -50.048 -0.684 40.215 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -52.588 0.522 40.641 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -51.231 -1.373 39.939 1.00 0.00 C ATOM 688 CH2 TRP B 29 -52.482 -0.782 40.156 1.00 0.00 C ATOM 0 H TRP B 29 -47.646 3.442 42.782 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.648 2.033 41.031 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.394 0.662 40.322 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.469 0.713 42.072 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.404 3.603 41.873 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -52.000 3.166 41.711 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -49.087 -1.150 40.057 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -53.557 0.972 40.801 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -51.180 -2.380 39.551 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -53.379 -1.345 39.945 1.00 0.00 H new ATOM 699 N GLU B 30 -45.937 4.559 40.011 1.00 0.00 N ATOM 700 CA GLU B 30 -46.346 5.852 39.400 1.00 0.00 C ATOM 701 C GLU B 30 -45.108 6.769 39.147 1.00 0.00 C ATOM 702 O GLU B 30 -44.142 6.826 39.916 1.00 0.00 O ATOM 703 CB GLU B 30 -47.438 6.469 40.317 1.00 0.00 C ATOM 704 CG GLU B 30 -48.207 7.707 39.810 1.00 0.00 C ATOM 705 CD GLU B 30 -49.222 8.149 40.842 1.00 0.00 C ATOM 706 OE1 GLU B 30 -48.850 8.947 41.725 1.00 0.00 O ATOM 707 OE2 GLU B 30 -50.371 7.665 40.807 1.00 0.00 O ATOM 0 H GLU B 30 -45.014 4.572 40.445 1.00 0.00 H new ATOM 0 HA GLU B 30 -46.778 5.716 38.408 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -48.169 5.690 40.534 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -46.966 6.735 41.263 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -47.509 8.519 39.604 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -48.710 7.473 38.872 1.00 0.00 H new ATOM 714 N ARG B 31 -45.107 7.433 37.987 1.00 0.00 N ATOM 715 CA ARG B 31 -43.862 7.912 37.340 1.00 0.00 C ATOM 716 C ARG B 31 -43.685 9.472 37.434 1.00 0.00 C ATOM 717 O ARG B 31 -44.420 10.179 36.733 1.00 0.00 O ATOM 718 CB ARG B 31 -43.947 7.372 35.883 1.00 0.00 C ATOM 719 CG ARG B 31 -42.694 7.617 35.016 1.00 0.00 C ATOM 720 CD ARG B 31 -42.849 7.006 33.611 1.00 0.00 C ATOM 721 NE ARG B 31 -41.678 7.408 32.784 1.00 0.00 N ATOM 722 CZ ARG B 31 -41.645 8.394 31.891 1.00 0.00 C ATOM 723 NH1 ARG B 31 -42.695 9.055 31.498 1.00 0.00 N ATOM 724 NH2 ARG B 31 -40.501 8.725 31.385 1.00 0.00 N ATOM 0 H ARG B 31 -45.956 7.657 37.467 1.00 0.00 H new ATOM 0 HA ARG B 31 -42.968 7.544 37.843 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -44.139 6.300 35.921 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -44.804 7.832 35.392 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.514 8.689 34.930 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -41.821 7.186 35.507 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -42.911 5.920 33.676 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -43.774 7.351 33.149 1.00 0.00 H new ATOM 0 HE ARG B 31 -40.818 6.876 32.915 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -43.613 8.827 31.879 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -42.600 9.801 30.809 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -39.655 8.234 31.673 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -40.446 9.477 30.698 1.00 0.00 H new ATOM 738 N PRO B 32 -42.699 10.060 38.177 1.00 0.00 N ATOM 739 CA PRO B 32 -42.467 11.537 38.175 1.00 0.00 C ATOM 740 C PRO B 32 -41.917 12.131 36.824 1.00 0.00 C ATOM 741 O PRO B 32 -42.422 13.142 36.337 1.00 0.00 O ATOM 742 CB PRO B 32 -41.464 11.735 39.335 1.00 0.00 C ATOM 743 CG PRO B 32 -40.786 10.377 39.471 1.00 0.00 C ATOM 744 CD PRO B 32 -41.842 9.332 39.132 1.00 0.00 C ATOM 0 HA PRO B 32 -43.407 12.076 38.294 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -40.743 12.521 39.109 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -41.971 12.022 40.256 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -39.933 10.300 38.797 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -40.407 10.232 40.483 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -41.404 8.438 38.688 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.396 9.011 40.014 1.00 0.00 H new ATOM 752 N SER B 33 -40.862 11.516 36.242 1.00 0.00 N ATOM 753 CA SER B 33 -40.250 11.911 34.933 1.00 0.00 C ATOM 754 C SER B 33 -39.460 13.268 34.844 1.00 0.00 C ATOM 755 O SER B 33 -38.380 13.317 34.242 1.00 0.00 O ATOM 756 CB SER B 33 -41.268 11.723 33.778 1.00 0.00 C ATOM 757 OG SER B 33 -40.614 11.636 32.511 1.00 0.00 O ATOM 0 H SER B 33 -40.397 10.715 36.670 1.00 0.00 H new ATOM 0 HA SER B 33 -39.423 11.209 34.826 1.00 0.00 H new ATOM 0 HB2 SER B 33 -41.852 10.819 33.950 1.00 0.00 H new ATOM 0 HB3 SER B 33 -41.969 12.558 33.770 1.00 0.00 H new ATOM 0 HG SER B 33 -41.044 12.249 31.878 1.00 0.00 H new ATOM 763 N GLY B 34 -40.016 14.382 35.347 1.00 0.00 N ATOM 764 CA GLY B 34 -39.533 15.760 35.026 1.00 0.00 C ATOM 765 C GLY B 34 -40.140 16.410 33.758 1.00 0.00 C ATOM 766 O GLY B 34 -40.637 17.530 33.823 1.00 0.00 O ATOM 0 H GLY B 34 -40.811 14.367 35.986 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -39.744 16.406 35.878 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -38.450 15.727 34.911 1.00 0.00 H new ATOM 770 N ASN B 35 -40.072 15.712 32.617 1.00 0.00 N ATOM 771 CA ASN B 35 -40.942 16.005 31.434 1.00 0.00 C ATOM 772 C ASN B 35 -41.733 14.702 31.058 1.00 0.00 C ATOM 773 O ASN B 35 -41.141 13.619 30.995 1.00 0.00 O ATOM 774 CB ASN B 35 -40.085 16.522 30.247 1.00 0.00 C ATOM 775 CG ASN B 35 -39.403 17.872 30.468 1.00 0.00 C ATOM 776 OD1 ASN B 35 -38.211 17.944 30.768 1.00 0.00 O ATOM 777 ND2 ASN B 35 -40.117 18.959 30.341 1.00 0.00 N ATOM 0 H ASN B 35 -39.427 14.935 32.472 1.00 0.00 H new ATOM 0 HA ASN B 35 -41.656 16.792 31.677 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -39.319 15.779 30.024 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -40.723 16.596 29.366 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -39.687 19.872 30.491 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -41.104 18.895 30.092 1.00 0.00 H new ATOM 784 N SER B 36 -43.053 14.806 30.846 1.00 0.00 N ATOM 785 CA SER B 36 -44.053 13.686 30.711 1.00 0.00 C ATOM 786 C SER B 36 -45.224 13.856 31.737 1.00 0.00 C ATOM 787 O SER B 36 -46.355 14.115 31.325 1.00 0.00 O ATOM 788 CB SER B 36 -43.605 12.192 30.698 1.00 0.00 C ATOM 789 OG SER B 36 -42.672 11.901 29.660 1.00 0.00 O ATOM 0 H SER B 36 -43.498 15.719 30.756 1.00 0.00 H new ATOM 0 HA SER B 36 -44.340 13.836 29.670 1.00 0.00 H new ATOM 0 HB2 SER B 36 -43.159 11.944 31.661 1.00 0.00 H new ATOM 0 HB3 SER B 36 -44.482 11.556 30.580 1.00 0.00 H new ATOM 0 HG SER B 36 -41.850 12.414 29.806 1.00 0.00 H new ATOM 795 N SER B 37 -44.989 13.709 33.059 1.00 0.00 N ATOM 796 CA SER B 37 -46.047 13.940 34.103 1.00 0.00 C ATOM 797 C SER B 37 -46.133 15.441 34.573 1.00 0.00 C ATOM 798 O SER B 37 -45.867 15.833 35.712 1.00 0.00 O ATOM 799 CB SER B 37 -45.755 13.005 35.284 1.00 0.00 C ATOM 800 OG SER B 37 -45.691 11.619 34.927 1.00 0.00 O ATOM 0 H SER B 37 -44.084 13.433 33.441 1.00 0.00 H new ATOM 0 HA SER B 37 -47.022 13.719 33.668 1.00 0.00 H new ATOM 0 HB2 SER B 37 -44.809 13.296 35.740 1.00 0.00 H new ATOM 0 HB3 SER B 37 -46.528 13.140 36.041 1.00 0.00 H new ATOM 0 HG SER B 37 -45.055 11.159 35.514 1.00 0.00 H new ATOM 806 N SER B 38 -46.449 16.269 33.587 1.00 0.00 N ATOM 807 CA SER B 38 -45.933 17.669 33.453 1.00 0.00 C ATOM 808 C SER B 38 -46.316 18.259 32.051 1.00 0.00 C ATOM 809 O SER B 38 -46.955 19.311 31.962 1.00 0.00 O ATOM 810 CB SER B 38 -44.388 17.778 33.697 1.00 0.00 C ATOM 811 OG SER B 38 -43.850 19.048 33.312 1.00 0.00 O ATOM 0 H SER B 38 -47.081 16.004 32.832 1.00 0.00 H new ATOM 0 HA SER B 38 -46.411 18.258 34.235 1.00 0.00 H new ATOM 0 HB2 SER B 38 -44.179 17.606 34.753 1.00 0.00 H new ATOM 0 HB3 SER B 38 -43.881 16.990 33.139 1.00 0.00 H new ATOM 0 HG SER B 38 -43.767 19.086 32.336 1.00 0.00 H new ATOM 817 N GLY B 39 -45.842 17.629 30.962 1.00 0.00 N ATOM 818 CA GLY B 39 -45.193 18.390 29.871 1.00 0.00 C ATOM 819 C GLY B 39 -43.685 18.154 29.983 1.00 0.00 C ATOM 820 O GLY B 39 -43.160 17.257 29.293 1.00 0.00 O ATOM 821 OXT GLY B 39 -43.023 18.812 30.814 1.00 0.00 O ATOM 0 H GLY B 39 -45.892 16.621 30.811 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -45.562 18.060 28.900 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -45.423 19.452 29.955 1.00 0.00 H new TER 825 GLY B 39