USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 180:sc=-0.00255 USER MOD Set 1.2: A 92 TYR OH : rot 15:sc= 0.264 USER MOD Set 2.1: A 13 ASN :FLIP amide:sc= -0.989 F(o=-3.6,f=-1.8) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.796 X(o=-1.8,f=-2.2) USER MOD Set 3.1: A 7 THR OG1 : rot -36:sc= 0.4 USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 3:sc= 0.075! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0151) USER MOD Single : A 23 TYR OH : rot -173:sc= 0.0692 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -122:sc= -3.57 (180deg=-10.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 56 SER OG : rot 11:sc= 0.627! USER MOD Single : A 61 GLN :FLIP amide:sc= -1.24 F(o=-2,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.752 K(o=-0.75,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 150:sc= 0.277 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.134) USER MOD Single : A 76 ASN : amide:sc= -1.95! C(o=-1.9!,f=-3.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 4.356 14.341 28.302 1.00 0.00 N ATOM 34 CA LYS A 3 5.476 14.101 29.206 1.00 0.00 C ATOM 35 C LYS A 3 6.407 15.305 29.220 1.00 0.00 C ATOM 36 O LYS A 3 7.173 15.520 28.281 1.00 0.00 O ATOM 37 CB LYS A 3 6.245 12.856 28.771 1.00 0.00 C ATOM 38 CG LYS A 3 5.298 11.733 28.360 1.00 0.00 C ATOM 39 CD LYS A 3 6.069 10.504 27.887 1.00 0.00 C ATOM 40 CE LYS A 3 6.737 9.785 29.055 1.00 0.00 C ATOM 41 NZ LYS A 3 8.026 9.161 28.643 1.00 0.00 N ATOM 0 HA LYS A 3 5.085 13.944 30.211 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.901 13.105 27.937 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.882 12.516 29.587 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.662 11.464 29.203 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.641 12.082 27.563 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.390 9.821 27.377 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.825 10.803 27.161 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.916 10.492 29.865 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.067 9.018 29.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.455 8.680 29.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.851 8.469 27.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.673 9.898 28.296 1.00 0.00 H new ATOM 55 N VAL A 4 6.338 16.089 30.290 1.00 0.00 N ATOM 56 CA VAL A 4 7.177 17.276 30.423 1.00 0.00 C ATOM 57 C VAL A 4 8.412 16.961 31.252 1.00 0.00 C ATOM 58 O VAL A 4 8.465 15.958 31.964 1.00 0.00 O ATOM 59 CB VAL A 4 6.378 18.420 31.058 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.593 17.923 32.268 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.276 19.595 31.450 1.00 0.00 C ATOM 0 H VAL A 4 5.711 15.925 31.077 1.00 0.00 H new ATOM 0 HA VAL A 4 7.501 17.589 29.431 1.00 0.00 H new ATOM 0 HB VAL A 4 5.675 18.780 30.306 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.033 18.751 32.704 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.901 17.141 31.956 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.283 17.522 33.010 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.670 20.383 31.896 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.021 19.259 32.171 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.778 19.981 30.563 1.00 0.00 H new ATOM 71 N THR A 5 9.399 17.835 31.147 1.00 0.00 N ATOM 72 CA THR A 5 10.652 17.676 31.877 1.00 0.00 C ATOM 73 C THR A 5 11.203 19.035 32.292 1.00 0.00 C ATOM 74 O THR A 5 11.263 19.964 31.487 1.00 0.00 O ATOM 75 CB THR A 5 11.670 16.947 31.005 1.00 0.00 C ATOM 76 OG1 THR A 5 11.503 17.324 29.647 1.00 0.00 O ATOM 77 CG2 THR A 5 11.524 15.436 31.151 1.00 0.00 C ATOM 0 H THR A 5 9.359 18.668 30.560 1.00 0.00 H new ATOM 0 HA THR A 5 10.461 17.089 32.775 1.00 0.00 H new ATOM 0 HB THR A 5 12.670 17.228 31.334 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.161 16.853 29.094 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.260 14.937 30.520 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.686 15.154 32.191 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.521 15.136 30.846 1.00 0.00 H new ATOM 85 N PHE A 6 11.606 19.142 33.555 1.00 0.00 N ATOM 86 CA PHE A 6 12.156 20.387 34.081 1.00 0.00 C ATOM 87 C PHE A 6 13.678 20.325 34.101 1.00 0.00 C ATOM 88 O PHE A 6 14.269 19.276 33.841 1.00 0.00 O ATOM 89 CB PHE A 6 11.631 20.637 35.492 1.00 0.00 C ATOM 90 CG PHE A 6 10.135 20.821 35.537 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.295 19.775 35.192 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.598 22.038 35.924 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.921 19.945 35.234 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.224 22.208 35.966 1.00 0.00 C ATOM 95 CZ PHE A 6 7.385 21.161 35.621 1.00 0.00 C ATOM 0 H PHE A 6 11.562 18.381 34.233 1.00 0.00 H new ATOM 0 HA PHE A 6 11.844 21.206 33.433 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.908 19.799 36.131 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.114 21.524 35.902 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.712 18.826 34.890 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.251 22.855 36.193 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.268 19.128 34.965 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.807 23.157 36.268 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.314 21.293 35.654 1.00 0.00 H new ATOM 105 N THR A 7 14.308 21.452 34.413 1.00 0.00 N ATOM 106 CA THR A 7 15.764 21.529 34.470 1.00 0.00 C ATOM 107 C THR A 7 16.195 22.809 35.171 1.00 0.00 C ATOM 108 O THR A 7 16.266 23.873 34.556 1.00 0.00 O ATOM 109 CB THR A 7 16.347 21.490 33.060 1.00 0.00 C ATOM 110 OG1 THR A 7 15.770 20.424 32.322 1.00 0.00 O ATOM 111 CG2 THR A 7 17.864 21.332 33.105 1.00 0.00 C ATOM 0 H THR A 7 13.832 22.327 34.631 1.00 0.00 H new ATOM 0 HA THR A 7 16.137 20.674 35.033 1.00 0.00 H new ATOM 0 HB THR A 7 16.113 22.434 32.567 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.621 19.658 32.915 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.257 21.307 32.089 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.302 22.173 33.643 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.118 20.403 33.616 1.00 0.00 H new ATOM 119 N VAL A 8 16.480 22.700 36.462 1.00 0.00 N ATOM 120 CA VAL A 8 16.902 23.848 37.256 1.00 0.00 C ATOM 121 C VAL A 8 18.046 24.584 36.568 1.00 0.00 C ATOM 122 O VAL A 8 19.157 24.065 36.464 1.00 0.00 O ATOM 123 CB VAL A 8 17.335 23.385 38.641 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.597 24.582 39.550 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.274 22.472 39.249 1.00 0.00 C ATOM 0 H VAL A 8 16.427 21.825 36.984 1.00 0.00 H new ATOM 0 HA VAL A 8 16.061 24.534 37.354 1.00 0.00 H new ATOM 0 HB VAL A 8 18.263 22.822 38.543 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.905 24.231 40.535 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.387 25.199 39.121 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.686 25.173 39.644 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.596 22.148 40.239 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.332 23.014 39.333 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.135 21.600 38.610 1.00 0.00 H new ATOM 135 N GLU A 9 17.764 25.796 36.100 1.00 0.00 N ATOM 136 CA GLU A 9 18.767 26.608 35.420 1.00 0.00 C ATOM 137 C GLU A 9 19.820 27.092 36.407 1.00 0.00 C ATOM 138 O GLU A 9 19.676 26.923 37.618 1.00 0.00 O ATOM 139 CB GLU A 9 18.100 27.802 34.742 1.00 0.00 C ATOM 140 CG GLU A 9 17.640 27.450 33.331 1.00 0.00 C ATOM 141 CD GLU A 9 17.883 28.621 32.388 1.00 0.00 C ATOM 142 OE1 GLU A 9 17.563 29.767 32.768 1.00 0.00 O ATOM 143 OE2 GLU A 9 18.394 28.391 31.272 1.00 0.00 O ATOM 0 H GLU A 9 16.848 26.238 36.179 1.00 0.00 H new ATOM 0 HA GLU A 9 19.256 25.994 34.663 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.246 28.129 35.335 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.799 28.638 34.702 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.176 26.570 32.975 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.580 27.195 33.340 1.00 0.00 H new ATOM 150 N LYS A 10 20.879 27.694 35.880 1.00 0.00 N ATOM 151 CA LYS A 10 21.966 28.206 36.709 1.00 0.00 C ATOM 152 C LYS A 10 21.517 29.422 37.520 1.00 0.00 C ATOM 153 O LYS A 10 22.246 29.891 38.394 1.00 0.00 O ATOM 154 CB LYS A 10 23.150 28.583 35.825 1.00 0.00 C ATOM 155 CG LYS A 10 23.438 27.495 34.794 1.00 0.00 C ATOM 156 CD LYS A 10 24.843 26.926 34.967 1.00 0.00 C ATOM 157 CE LYS A 10 25.653 27.049 33.679 1.00 0.00 C ATOM 158 NZ LYS A 10 26.055 25.711 33.161 1.00 0.00 N ATOM 0 H LYS A 10 21.009 27.841 34.879 1.00 0.00 H new ATOM 0 HA LYS A 10 22.262 27.423 37.407 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.942 29.524 35.316 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.033 28.744 36.444 1.00 0.00 H new ATOM 0 HG2 LYS A 10 22.705 26.695 34.892 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.330 27.905 33.790 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.354 27.453 35.773 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.780 25.878 35.261 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.064 27.571 32.925 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.542 27.652 33.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.604 25.828 32.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.637 25.224 33.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.205 25.145 32.964 1.00 0.00 H new ATOM 172 N GLY A 11 20.319 29.935 37.232 1.00 0.00 N ATOM 173 CA GLY A 11 19.792 31.097 37.942 1.00 0.00 C ATOM 174 C GLY A 11 19.932 30.928 39.450 1.00 0.00 C ATOM 175 O GLY A 11 20.017 31.910 40.188 1.00 0.00 O ATOM 0 H GLY A 11 19.698 29.563 36.513 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.323 31.994 37.623 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.742 31.239 37.685 1.00 0.00 H new ATOM 179 N SER A 12 19.956 29.679 39.905 1.00 0.00 N ATOM 180 CA SER A 12 20.087 29.387 41.328 1.00 0.00 C ATOM 181 C SER A 12 21.298 30.109 41.906 1.00 0.00 C ATOM 182 O SER A 12 22.409 29.985 41.391 1.00 0.00 O ATOM 183 CB SER A 12 20.226 27.883 41.540 1.00 0.00 C ATOM 184 OG SER A 12 21.544 27.455 41.231 1.00 0.00 O ATOM 0 H SER A 12 19.887 28.854 39.309 1.00 0.00 H new ATOM 0 HA SER A 12 19.192 29.738 41.842 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.989 27.633 42.574 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.509 27.354 40.912 1.00 0.00 H new ATOM 0 HG SER A 12 22.093 28.232 40.994 1.00 0.00 H new ATOM 190 N ASN A 13 21.077 30.867 42.975 1.00 0.00 N ATOM 191 CA ASN A 13 22.153 31.615 43.622 1.00 0.00 C ATOM 192 C ASN A 13 22.271 31.219 45.089 1.00 0.00 C ATOM 193 O ASN A 13 23.328 30.776 45.537 1.00 0.00 O ATOM 194 CB ASN A 13 21.902 33.120 43.505 1.00 0.00 C ATOM 195 CG ASN A 13 20.421 33.438 43.684 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.641 33.235 42.628 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 19.991 33.859 44.758 1.00 0.00 N flip ATOM 0 H ASN A 13 20.163 30.981 43.413 1.00 0.00 H new ATOM 0 HA ASN A 13 23.089 31.374 43.118 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.486 33.650 44.257 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.240 33.475 42.531 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.628 34.000 45.542 1.00 0.00 H new ATOM 0 HD22 ASN A 13 18.998 34.067 44.863 1.00 0.00 H new ATOM 204 N GLU A 14 21.182 31.379 45.833 1.00 0.00 N ATOM 205 CA GLU A 14 21.166 31.036 47.250 1.00 0.00 C ATOM 206 C GLU A 14 19.906 30.253 47.591 1.00 0.00 C ATOM 207 O GLU A 14 19.941 29.030 47.728 1.00 0.00 O ATOM 208 CB GLU A 14 21.232 32.305 48.095 1.00 0.00 C ATOM 209 CG GLU A 14 22.676 32.720 48.358 1.00 0.00 C ATOM 210 CD GLU A 14 23.023 33.961 47.547 1.00 0.00 C ATOM 211 OE1 GLU A 14 22.380 34.187 46.500 1.00 0.00 O ATOM 212 OE2 GLU A 14 23.937 34.706 47.959 1.00 0.00 O ATOM 0 H GLU A 14 20.298 31.744 45.478 1.00 0.00 H new ATOM 0 HA GLU A 14 22.035 30.415 47.468 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.706 33.112 47.585 1.00 0.00 H new ATOM 0 HB3 GLU A 14 20.720 32.140 49.043 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.817 32.920 49.420 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.350 31.905 48.095 1.00 0.00 H new ATOM 219 N LYS A 15 18.793 30.966 47.725 1.00 0.00 N ATOM 220 CA LYS A 15 17.516 30.341 48.049 1.00 0.00 C ATOM 221 C LYS A 15 16.643 30.220 46.803 1.00 0.00 C ATOM 222 O LYS A 15 15.718 29.410 46.762 1.00 0.00 O ATOM 223 CB LYS A 15 16.790 31.158 49.115 1.00 0.00 C ATOM 224 CG LYS A 15 16.784 32.644 48.769 1.00 0.00 C ATOM 225 CD LYS A 15 17.744 33.423 49.664 1.00 0.00 C ATOM 226 CE LYS A 15 17.048 34.614 50.316 1.00 0.00 C ATOM 227 NZ LYS A 15 17.736 35.025 51.573 1.00 0.00 N ATOM 0 H LYS A 15 18.750 31.979 47.614 1.00 0.00 H new ATOM 0 HA LYS A 15 17.710 29.340 48.434 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.765 30.802 49.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.273 31.010 50.081 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.066 32.778 47.725 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.775 33.042 48.880 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.142 32.764 50.436 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.592 33.772 49.075 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.029 35.452 49.619 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.011 34.357 50.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.238 35.837 51.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.732 34.232 52.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.718 35.293 51.360 1.00 0.00 H new ATOM 241 N HIS A 16 16.940 31.028 45.787 1.00 0.00 N ATOM 242 CA HIS A 16 16.177 31.002 44.544 1.00 0.00 C ATOM 243 C HIS A 16 16.138 29.589 43.978 1.00 0.00 C ATOM 244 O HIS A 16 16.743 28.671 44.532 1.00 0.00 O ATOM 245 CB HIS A 16 16.804 31.951 43.526 1.00 0.00 C ATOM 246 CG HIS A 16 16.500 33.390 43.806 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.338 33.893 45.071 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.326 34.454 42.981 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.080 35.180 45.035 1.00 0.00 C ATOM 250 NE2 HIS A 16 16.065 35.560 43.768 1.00 0.00 N ATOM 0 H HIS A 16 17.702 31.706 45.801 1.00 0.00 H new ATOM 0 HA HIS A 16 15.157 31.326 44.753 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.885 31.808 43.521 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.444 31.696 42.529 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.382 34.439 41.903 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.910 35.817 45.890 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.891 36.506 43.430 1.00 0.00 H new ATOM 258 N LEU A 17 15.423 29.420 42.871 1.00 0.00 N ATOM 259 CA LEU A 17 15.305 28.116 42.226 1.00 0.00 C ATOM 260 C LEU A 17 14.823 28.278 40.790 1.00 0.00 C ATOM 261 O LEU A 17 13.630 28.163 40.509 1.00 0.00 O ATOM 262 CB LEU A 17 14.334 27.233 43.005 1.00 0.00 C ATOM 263 CG LEU A 17 14.335 25.803 42.473 1.00 0.00 C ATOM 264 CD1 LEU A 17 15.753 25.238 42.455 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.417 24.918 43.313 1.00 0.00 C ATOM 0 H LEU A 17 14.916 30.170 42.401 1.00 0.00 H new ATOM 0 HA LEU A 17 16.286 27.642 42.215 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.608 27.231 44.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.328 27.648 42.938 1.00 0.00 H new ATOM 0 HG LEU A 17 13.958 25.817 41.450 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.733 24.217 42.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.382 25.854 41.813 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.158 25.238 43.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.431 23.902 42.919 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.764 24.911 44.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.400 25.309 43.275 1.00 0.00 H new ATOM 277 N ALA A 18 15.759 28.544 39.884 1.00 0.00 N ATOM 278 CA ALA A 18 15.431 28.720 38.473 1.00 0.00 C ATOM 279 C ALA A 18 15.084 27.379 37.842 1.00 0.00 C ATOM 280 O ALA A 18 15.401 26.325 38.392 1.00 0.00 O ATOM 281 CB ALA A 18 16.610 29.351 37.738 1.00 0.00 C ATOM 0 H ALA A 18 16.751 28.642 40.102 1.00 0.00 H new ATOM 0 HA ALA A 18 14.567 29.380 38.394 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.356 29.479 36.686 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.835 30.323 38.178 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.482 28.703 37.825 1.00 0.00 H new ATOM 287 N VAL A 19 14.428 27.424 36.687 1.00 0.00 N ATOM 288 CA VAL A 19 14.035 26.207 35.981 1.00 0.00 C ATOM 289 C VAL A 19 13.839 26.482 34.497 1.00 0.00 C ATOM 290 O VAL A 19 13.180 27.447 34.117 1.00 0.00 O ATOM 291 CB VAL A 19 12.739 25.667 36.564 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.941 25.216 38.007 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.644 26.726 36.476 1.00 0.00 C ATOM 0 H VAL A 19 14.157 28.289 36.219 1.00 0.00 H new ATOM 0 HA VAL A 19 14.830 25.472 36.102 1.00 0.00 H new ATOM 0 HB VAL A 19 12.431 24.798 35.982 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.001 24.833 38.404 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.695 24.430 38.040 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.272 26.062 38.610 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.720 26.329 36.896 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.947 27.610 37.036 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.482 26.996 35.432 1.00 0.00 H new ATOM 303 N LEU A 20 14.401 25.620 33.662 1.00 0.00 N ATOM 304 CA LEU A 20 14.278 25.767 32.216 1.00 0.00 C ATOM 305 C LEU A 20 13.111 24.932 31.700 1.00 0.00 C ATOM 306 O LEU A 20 13.300 23.983 30.939 1.00 0.00 O ATOM 307 CB LEU A 20 15.576 25.341 31.534 1.00 0.00 C ATOM 308 CG LEU A 20 16.000 26.354 30.475 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.305 25.923 29.813 1.00 0.00 C ATOM 310 CD2 LEU A 20 14.901 26.527 29.431 1.00 0.00 C ATOM 0 H LEU A 20 14.947 24.811 33.959 1.00 0.00 H new ATOM 0 HA LEU A 20 14.087 26.815 31.983 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.365 25.238 32.279 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.444 24.362 31.073 1.00 0.00 H new ATOM 0 HG LEU A 20 16.165 27.314 30.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.591 26.658 29.061 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.089 25.851 30.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.168 24.952 29.338 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.220 27.253 28.683 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.705 25.570 28.947 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.991 26.882 29.916 1.00 0.00 H new ATOM 322 N VAL A 21 11.903 25.290 32.124 1.00 0.00 N ATOM 323 CA VAL A 21 10.702 24.572 31.711 1.00 0.00 C ATOM 324 C VAL A 21 10.589 24.546 30.192 1.00 0.00 C ATOM 325 O VAL A 21 10.361 25.575 29.557 1.00 0.00 O ATOM 326 CB VAL A 21 9.465 25.233 32.312 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.220 24.402 32.015 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.635 25.423 33.816 1.00 0.00 C ATOM 0 H VAL A 21 11.730 26.073 32.754 1.00 0.00 H new ATOM 0 HA VAL A 21 10.772 23.546 32.073 1.00 0.00 H new ATOM 0 HB VAL A 21 9.343 26.215 31.855 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.346 24.887 32.450 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.088 24.317 30.936 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.335 23.407 32.446 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.743 25.896 34.226 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.783 24.453 34.291 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.501 26.056 34.007 1.00 0.00 H new ATOM 338 N LYS A 22 10.744 23.359 29.617 1.00 0.00 N ATOM 339 CA LYS A 22 10.656 23.188 28.172 1.00 0.00 C ATOM 340 C LYS A 22 10.132 21.797 27.840 1.00 0.00 C ATOM 341 O LYS A 22 10.042 20.933 28.714 1.00 0.00 O ATOM 342 CB LYS A 22 12.027 23.393 27.536 1.00 0.00 C ATOM 343 CG LYS A 22 13.077 22.498 28.188 1.00 0.00 C ATOM 344 CD LYS A 22 13.713 21.558 27.167 1.00 0.00 C ATOM 345 CE LYS A 22 15.041 22.111 26.658 1.00 0.00 C ATOM 346 NZ LYS A 22 14.847 23.387 25.913 1.00 0.00 N ATOM 0 H LYS A 22 10.932 22.498 30.131 1.00 0.00 H new ATOM 0 HA LYS A 22 9.965 23.931 27.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.972 23.176 26.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.324 24.437 27.634 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.849 23.115 28.648 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.617 21.915 28.986 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.874 20.580 27.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.032 21.413 26.329 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.714 22.277 27.499 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.518 21.377 26.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.754 23.694 25.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.158 23.241 25.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.493 24.118 26.563 1.00 0.00 H new ATOM 360 N TYR A 23 9.785 21.583 26.577 1.00 0.00 N ATOM 361 CA TYR A 23 9.267 20.290 26.133 1.00 0.00 C ATOM 362 C TYR A 23 9.625 20.057 24.673 1.00 0.00 C ATOM 363 O TYR A 23 10.439 19.191 24.353 1.00 0.00 O ATOM 364 CB TYR A 23 7.743 20.216 26.307 1.00 0.00 C ATOM 365 CG TYR A 23 7.181 21.250 27.254 1.00 0.00 C ATOM 366 CD1 TYR A 23 7.092 22.572 26.857 1.00 0.00 C ATOM 367 CD2 TYR A 23 6.757 20.879 28.518 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.580 23.522 27.721 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.244 21.832 29.383 1.00 0.00 C ATOM 370 CZ TYR A 23 6.158 23.149 28.981 1.00 0.00 C ATOM 371 OH TYR A 23 5.650 24.096 29.841 1.00 0.00 O ATOM 0 H TYR A 23 9.852 22.286 25.841 1.00 0.00 H new ATOM 0 HA TYR A 23 9.724 19.515 26.749 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.270 20.336 25.332 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.477 19.223 26.670 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.423 22.862 25.871 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.826 19.847 28.830 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.510 24.554 27.411 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.912 21.545 30.370 1.00 0.00 H new ATOM 0 HH TYR A 23 5.507 23.694 30.723 1.00 0.00 H new ATOM 381 N GLU A 24 9.011 20.836 23.787 1.00 0.00 N ATOM 382 CA GLU A 24 9.265 20.716 22.356 1.00 0.00 C ATOM 383 C GLU A 24 8.652 21.890 21.605 1.00 0.00 C ATOM 384 O GLU A 24 9.360 22.662 20.957 1.00 0.00 O ATOM 385 CB GLU A 24 8.684 19.406 21.834 1.00 0.00 C ATOM 386 CG GLU A 24 8.928 19.252 20.335 1.00 0.00 C ATOM 387 CD GLU A 24 8.303 17.958 19.830 1.00 0.00 C ATOM 388 OE1 GLU A 24 8.383 16.939 20.548 1.00 0.00 O ATOM 389 OE2 GLU A 24 7.734 17.966 18.719 1.00 0.00 O ATOM 0 H GLU A 24 8.334 21.557 24.036 1.00 0.00 H new ATOM 0 HA GLU A 24 10.343 20.722 22.192 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.134 18.568 22.366 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.613 19.374 22.036 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.503 20.102 19.801 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.999 19.251 20.132 1.00 0.00 H new ATOM 396 N GLY A 25 7.332 22.022 21.693 1.00 0.00 N ATOM 397 CA GLY A 25 6.625 23.104 21.017 1.00 0.00 C ATOM 398 C GLY A 25 5.342 23.467 21.756 1.00 0.00 C ATOM 399 O GLY A 25 4.251 23.401 21.190 1.00 0.00 O ATOM 0 H GLY A 25 6.731 21.393 22.226 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.271 23.980 20.952 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.388 22.806 19.996 1.00 0.00 H new ATOM 403 N ASP A 26 5.479 23.858 23.019 1.00 0.00 N ATOM 404 CA ASP A 26 4.329 24.242 23.831 1.00 0.00 C ATOM 405 C ASP A 26 4.337 25.747 24.062 1.00 0.00 C ATOM 406 O ASP A 26 5.240 26.447 23.605 1.00 0.00 O ATOM 407 CB ASP A 26 4.366 23.507 25.167 1.00 0.00 C ATOM 408 CG ASP A 26 4.229 22.006 24.946 1.00 0.00 C ATOM 409 OD1 ASP A 26 3.477 21.606 24.032 1.00 0.00 O ATOM 410 OD2 ASP A 26 4.873 21.234 25.686 1.00 0.00 O ATOM 0 H ASP A 26 6.375 23.917 23.503 1.00 0.00 H new ATOM 0 HA ASP A 26 3.415 23.970 23.304 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.302 23.722 25.683 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.560 23.863 25.808 1.00 0.00 H new ATOM 415 N THR A 27 3.328 26.245 24.770 1.00 0.00 N ATOM 416 CA THR A 27 3.230 27.671 25.052 1.00 0.00 C ATOM 417 C THR A 27 3.485 27.941 26.528 1.00 0.00 C ATOM 418 O THR A 27 3.591 27.014 27.331 1.00 0.00 O ATOM 419 CB THR A 27 1.849 28.184 24.662 1.00 0.00 C ATOM 420 OG1 THR A 27 1.182 27.224 23.857 1.00 0.00 O ATOM 421 CG2 THR A 27 1.956 29.510 23.915 1.00 0.00 C ATOM 0 H THR A 27 2.570 25.684 25.157 1.00 0.00 H new ATOM 0 HA THR A 27 3.986 28.194 24.466 1.00 0.00 H new ATOM 0 HB THR A 27 1.273 28.348 25.573 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.295 27.561 23.613 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.959 29.858 23.646 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.438 30.250 24.554 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.548 29.371 23.010 1.00 0.00 H new ATOM 429 N MET A 28 3.582 29.219 26.879 1.00 0.00 N ATOM 430 CA MET A 28 3.824 29.622 28.259 1.00 0.00 C ATOM 431 C MET A 28 2.759 30.612 28.711 1.00 0.00 C ATOM 432 O MET A 28 2.638 31.702 28.153 1.00 0.00 O ATOM 433 CB MET A 28 5.203 30.260 28.379 1.00 0.00 C ATOM 434 CG MET A 28 6.309 29.259 28.056 1.00 0.00 C ATOM 435 SD MET A 28 7.532 29.931 26.919 1.00 0.00 S ATOM 436 CE MET A 28 8.685 28.554 26.804 1.00 0.00 C ATOM 0 H MET A 28 3.496 29.996 26.224 1.00 0.00 H new ATOM 0 HA MET A 28 3.780 28.738 28.896 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.272 31.112 27.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.341 30.644 29.390 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.803 28.957 28.980 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.868 28.362 27.622 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.502 28.818 26.132 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.086 28.332 27.793 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.167 27.677 26.417 1.00 0.00 H new ATOM 446 N ALA A 29 1.988 30.226 29.720 1.00 0.00 N ATOM 447 CA ALA A 29 0.928 31.082 30.242 1.00 0.00 C ATOM 448 C ALA A 29 1.207 31.459 31.692 1.00 0.00 C ATOM 449 O ALA A 29 1.303 32.640 32.028 1.00 0.00 O ATOM 450 CB ALA A 29 -0.410 30.360 30.138 1.00 0.00 C ATOM 0 H ALA A 29 2.076 29.327 30.193 1.00 0.00 H new ATOM 0 HA ALA A 29 0.892 31.997 29.651 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.201 31.001 30.528 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.616 30.124 29.094 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.372 29.437 30.717 1.00 0.00 H new ATOM 456 N GLU A 30 1.335 30.452 32.551 1.00 0.00 N ATOM 457 CA GLU A 30 1.600 30.682 33.968 1.00 0.00 C ATOM 458 C GLU A 30 2.330 29.490 34.574 1.00 0.00 C ATOM 459 O GLU A 30 2.337 28.401 34.002 1.00 0.00 O ATOM 460 CB GLU A 30 0.289 30.918 34.711 1.00 0.00 C ATOM 461 CG GLU A 30 -0.058 32.402 34.757 1.00 0.00 C ATOM 462 CD GLU A 30 0.997 33.163 35.549 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.505 32.610 36.547 1.00 0.00 O ATOM 464 OE2 GLU A 30 1.315 34.309 35.169 1.00 0.00 O ATOM 0 H GLU A 30 1.260 29.469 32.291 1.00 0.00 H new ATOM 0 HA GLU A 30 2.232 31.565 34.064 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.514 30.369 34.220 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.368 30.528 35.726 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.121 32.800 33.744 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.037 32.540 35.215 1.00 0.00 H new ATOM 471 N VAL A 31 2.940 29.702 35.736 1.00 0.00 N ATOM 472 CA VAL A 31 3.673 28.641 36.423 1.00 0.00 C ATOM 473 C VAL A 31 3.667 28.883 37.923 1.00 0.00 C ATOM 474 O VAL A 31 3.744 30.023 38.379 1.00 0.00 O ATOM 475 CB VAL A 31 5.116 28.564 35.919 1.00 0.00 C ATOM 476 CG1 VAL A 31 5.714 27.197 36.235 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.193 28.842 34.418 1.00 0.00 C ATOM 0 H VAL A 31 2.942 30.598 36.223 1.00 0.00 H new ATOM 0 HA VAL A 31 3.177 27.694 36.210 1.00 0.00 H new ATOM 0 HB VAL A 31 5.694 29.331 36.434 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.741 27.156 35.871 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.705 27.036 37.313 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.125 26.421 35.747 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.230 28.780 34.089 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.597 28.104 33.880 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.806 29.840 34.213 1.00 0.00 H new ATOM 487 N GLU A 32 3.565 27.802 38.689 1.00 0.00 N ATOM 488 CA GLU A 32 3.539 27.894 40.137 1.00 0.00 C ATOM 489 C GLU A 32 4.069 26.613 40.769 1.00 0.00 C ATOM 490 O GLU A 32 3.783 25.510 40.303 1.00 0.00 O ATOM 491 CB GLU A 32 2.115 28.163 40.600 1.00 0.00 C ATOM 492 CG GLU A 32 1.172 27.012 40.253 1.00 0.00 C ATOM 493 CD GLU A 32 0.258 27.411 39.102 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.590 28.380 38.387 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.790 26.756 38.919 1.00 0.00 O ATOM 0 H GLU A 32 3.499 26.851 38.326 1.00 0.00 H new ATOM 0 HA GLU A 32 4.183 28.715 40.452 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.109 28.324 41.678 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.751 29.081 40.139 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.749 26.129 39.979 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.575 26.745 41.125 1.00 0.00 H new ATOM 502 N LEU A 33 4.847 26.766 41.835 1.00 0.00 N ATOM 503 CA LEU A 33 5.416 25.620 42.533 1.00 0.00 C ATOM 504 C LEU A 33 4.739 25.441 43.893 1.00 0.00 C ATOM 505 O LEU A 33 3.944 26.282 44.313 1.00 0.00 O ATOM 506 CB LEU A 33 6.937 25.791 42.668 1.00 0.00 C ATOM 507 CG LEU A 33 7.347 26.579 43.913 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.852 25.626 44.989 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.414 27.615 43.569 1.00 0.00 C ATOM 0 H LEU A 33 5.097 27.671 42.234 1.00 0.00 H new ATOM 0 HA LEU A 33 5.234 24.714 41.955 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.405 24.807 42.698 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.319 26.299 41.782 1.00 0.00 H new ATOM 0 HG LEU A 33 6.474 27.108 44.295 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.142 26.195 45.872 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.061 24.924 45.253 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.715 25.076 44.612 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.691 28.164 44.469 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.293 27.112 43.166 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.021 28.310 42.827 1.00 0.00 H new ATOM 521 N ARG A 34 5.051 24.343 44.574 1.00 0.00 N ATOM 522 CA ARG A 34 4.461 24.063 45.881 1.00 0.00 C ATOM 523 C ARG A 34 5.367 24.563 46.999 1.00 0.00 C ATOM 524 O ARG A 34 5.005 25.482 47.733 1.00 0.00 O ATOM 525 CB ARG A 34 4.225 22.563 46.036 1.00 0.00 C ATOM 526 CG ARG A 34 3.668 22.229 47.419 1.00 0.00 C ATOM 527 CD ARG A 34 2.437 21.333 47.318 1.00 0.00 C ATOM 528 NE ARG A 34 2.789 19.951 47.627 1.00 0.00 N ATOM 529 CZ ARG A 34 1.984 18.940 47.318 1.00 0.00 C ATOM 530 NH1 ARG A 34 1.687 18.690 46.050 1.00 0.00 N ATOM 531 NH2 ARG A 34 1.477 18.177 48.277 1.00 0.00 N ATOM 0 H ARG A 34 5.706 23.634 44.245 1.00 0.00 H new ATOM 0 HA ARG A 34 3.507 24.586 45.948 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.530 22.221 45.269 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.161 22.027 45.879 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.435 21.731 48.012 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.409 23.150 47.941 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.667 21.682 48.007 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.017 21.393 46.314 1.00 0.00 H new ATOM 0 HE ARG A 34 3.676 19.756 48.092 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.077 19.274 45.310 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.069 17.914 45.815 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.705 18.366 49.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.859 17.401 48.038 1.00 0.00 H new ATOM 545 N GLU A 35 6.531 23.921 47.138 1.00 0.00 N ATOM 546 CA GLU A 35 7.510 24.248 48.177 1.00 0.00 C ATOM 547 C GLU A 35 7.182 23.431 49.404 1.00 0.00 C ATOM 548 O GLU A 35 6.627 23.939 50.379 1.00 0.00 O ATOM 549 CB GLU A 35 7.526 25.742 48.513 1.00 0.00 C ATOM 550 CG GLU A 35 8.957 26.264 48.604 1.00 0.00 C ATOM 551 CD GLU A 35 8.958 27.778 48.770 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.872 28.354 48.987 1.00 0.00 O ATOM 553 OE2 GLU A 35 10.046 28.385 48.683 1.00 0.00 O ATOM 0 H GLU A 35 6.821 23.156 46.529 1.00 0.00 H new ATOM 0 HA GLU A 35 8.508 24.007 47.809 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.980 26.296 47.750 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.012 25.912 49.459 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.468 25.799 49.447 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.509 25.990 47.705 1.00 0.00 H new ATOM 560 N HIS A 36 7.501 22.143 49.323 1.00 0.00 N ATOM 561 CA HIS A 36 7.225 21.193 50.394 1.00 0.00 C ATOM 562 C HIS A 36 7.418 21.820 51.773 1.00 0.00 C ATOM 563 O HIS A 36 8.504 22.295 52.105 1.00 0.00 O ATOM 564 CB HIS A 36 8.127 19.971 50.248 1.00 0.00 C ATOM 565 CG HIS A 36 7.357 18.691 50.161 1.00 0.00 C ATOM 566 ND1 HIS A 36 6.245 18.533 49.375 1.00 0.00 N ATOM 567 CD2 HIS A 36 7.531 17.488 50.765 1.00 0.00 C ATOM 568 CE1 HIS A 36 5.760 17.318 49.484 1.00 0.00 C ATOM 569 NE2 HIS A 36 6.524 16.646 50.329 1.00 0.00 N ATOM 0 H HIS A 36 7.959 21.728 48.511 1.00 0.00 H new ATOM 0 HA HIS A 36 6.181 20.892 50.310 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.741 20.082 49.354 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.808 19.924 51.098 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.316 17.234 51.462 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.889 16.934 48.973 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.393 15.674 50.611 1.00 0.00 H new ATOM 577 N GLY A 37 6.353 21.821 52.568 1.00 0.00 N ATOM 578 CA GLY A 37 6.396 22.392 53.909 1.00 0.00 C ATOM 579 C GLY A 37 5.256 23.383 54.102 1.00 0.00 C ATOM 580 O GLY A 37 4.533 23.328 55.097 1.00 0.00 O ATOM 0 H GLY A 37 5.447 21.432 52.306 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.325 21.597 54.652 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.351 22.892 54.068 1.00 0.00 H new ATOM 584 N SER A 38 5.101 24.290 53.143 1.00 0.00 N ATOM 585 CA SER A 38 4.049 25.299 53.200 1.00 0.00 C ATOM 586 C SER A 38 2.696 24.678 52.875 1.00 0.00 C ATOM 587 O SER A 38 1.667 25.098 53.405 1.00 0.00 O ATOM 588 CB SER A 38 4.354 26.426 52.218 1.00 0.00 C ATOM 589 OG SER A 38 3.304 27.381 52.210 1.00 0.00 O ATOM 0 H SER A 38 5.693 24.347 52.314 1.00 0.00 H new ATOM 0 HA SER A 38 4.012 25.706 54.211 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.291 26.911 52.492 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.488 26.017 51.217 1.00 0.00 H new ATOM 0 HG SER A 38 3.518 28.097 51.576 1.00 0.00 H new ATOM 595 N ASP A 39 2.703 23.672 51.999 1.00 0.00 N ATOM 596 CA ASP A 39 1.479 22.974 51.588 1.00 0.00 C ATOM 597 C ASP A 39 0.747 23.760 50.506 1.00 0.00 C ATOM 598 O ASP A 39 0.427 23.222 49.446 1.00 0.00 O ATOM 599 CB ASP A 39 0.553 22.752 52.784 1.00 0.00 C ATOM 600 CG ASP A 39 -0.222 21.451 52.619 1.00 0.00 C ATOM 601 OD1 ASP A 39 -0.223 20.896 51.500 1.00 0.00 O ATOM 602 OD2 ASP A 39 -0.829 20.990 53.609 1.00 0.00 O ATOM 0 H ASP A 39 3.551 23.318 51.556 1.00 0.00 H new ATOM 0 HA ASP A 39 1.768 22.004 51.184 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.137 22.721 53.704 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.141 23.588 52.875 1.00 0.00 H new ATOM 607 N GLU A 40 0.479 25.032 50.779 1.00 0.00 N ATOM 608 CA GLU A 40 -0.222 25.890 49.828 1.00 0.00 C ATOM 609 C GLU A 40 0.687 26.248 48.659 1.00 0.00 C ATOM 610 O GLU A 40 1.776 26.790 48.850 1.00 0.00 O ATOM 611 CB GLU A 40 -0.694 27.163 50.525 1.00 0.00 C ATOM 612 CG GLU A 40 -2.154 27.464 50.198 1.00 0.00 C ATOM 613 CD GLU A 40 -2.325 28.939 49.856 1.00 0.00 C ATOM 614 OE1 GLU A 40 -1.522 29.761 50.346 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.262 29.270 49.100 1.00 0.00 O ATOM 0 H GLU A 40 0.736 25.493 51.652 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.086 25.348 49.444 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.575 27.056 51.603 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.070 28.002 50.217 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.480 26.849 49.359 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.785 27.205 51.048 1.00 0.00 H new ATOM 622 N TRP A 41 0.231 25.947 47.448 1.00 0.00 N ATOM 623 CA TRP A 41 1.001 26.242 46.244 1.00 0.00 C ATOM 624 C TRP A 41 1.369 27.719 46.209 1.00 0.00 C ATOM 625 O TRP A 41 0.689 28.550 46.810 1.00 0.00 O ATOM 626 CB TRP A 41 0.189 25.882 45.003 1.00 0.00 C ATOM 627 CG TRP A 41 -0.027 24.407 44.852 1.00 0.00 C ATOM 628 CD1 TRP A 41 -0.971 23.645 45.486 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.717 23.506 44.004 1.00 0.00 C ATOM 630 NE1 TRP A 41 -0.840 22.348 45.073 1.00 0.00 N ATOM 631 CE2 TRP A 41 0.174 22.227 44.175 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.787 23.660 43.122 1.00 0.00 C ATOM 633 CZ2 TRP A 41 0.665 21.122 43.497 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.284 22.559 42.440 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.728 21.300 42.626 1.00 0.00 C ATOM 0 H TRP A 41 -0.668 25.499 47.274 1.00 0.00 H new ATOM 0 HA TRP A 41 1.915 25.648 46.256 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.778 26.382 45.051 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.701 26.261 44.118 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.699 24.008 46.196 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.424 21.576 45.395 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.227 24.634 42.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.229 20.145 43.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.112 22.682 41.757 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.127 20.453 42.088 1.00 0.00 H new ATOM 646 N VAL A 42 2.447 28.047 45.502 1.00 0.00 N ATOM 647 CA VAL A 42 2.893 29.431 45.395 1.00 0.00 C ATOM 648 C VAL A 42 3.286 29.753 43.960 1.00 0.00 C ATOM 649 O VAL A 42 4.125 29.074 43.369 1.00 0.00 O ATOM 650 CB VAL A 42 4.077 29.673 46.326 1.00 0.00 C ATOM 651 CG1 VAL A 42 3.605 29.807 47.771 1.00 0.00 C ATOM 652 CG2 VAL A 42 5.096 28.545 46.198 1.00 0.00 C ATOM 0 H VAL A 42 3.025 27.376 44.997 1.00 0.00 H new ATOM 0 HA VAL A 42 2.071 30.084 45.687 1.00 0.00 H new ATOM 0 HB VAL A 42 4.558 30.607 46.035 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.464 29.979 48.420 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.915 30.647 47.852 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.099 28.891 48.075 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.934 28.734 46.869 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.626 27.598 46.462 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.458 28.496 45.171 1.00 0.00 H new ATOM 662 N ALA A 43 2.673 30.793 43.405 1.00 0.00 N ATOM 663 CA ALA A 43 2.957 31.207 42.036 1.00 0.00 C ATOM 664 C ALA A 43 4.442 31.506 41.873 1.00 0.00 C ATOM 665 O ALA A 43 5.063 32.113 42.745 1.00 0.00 O ATOM 666 CB ALA A 43 2.134 32.443 41.685 1.00 0.00 C ATOM 0 H ALA A 43 1.976 31.365 43.882 1.00 0.00 H new ATOM 0 HA ALA A 43 2.687 30.396 41.360 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.352 32.746 40.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.073 32.212 41.777 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.389 33.255 42.366 1.00 0.00 H new ATOM 672 N MET A 44 5.005 31.074 40.750 1.00 0.00 N ATOM 673 CA MET A 44 6.418 31.291 40.466 1.00 0.00 C ATOM 674 C MET A 44 6.713 32.783 40.369 1.00 0.00 C ATOM 675 O MET A 44 5.868 33.614 40.698 1.00 0.00 O ATOM 676 CB MET A 44 6.786 30.597 39.160 1.00 0.00 C ATOM 677 CG MET A 44 7.542 29.298 39.416 1.00 0.00 C ATOM 678 SD MET A 44 9.325 29.509 39.286 1.00 0.00 S ATOM 679 CE MET A 44 9.907 28.070 40.194 1.00 0.00 C ATOM 0 H MET A 44 4.502 30.570 40.020 1.00 0.00 H new ATOM 0 HA MET A 44 7.015 30.872 41.276 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.881 30.387 38.590 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.399 31.263 38.552 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.294 28.926 40.410 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.215 28.543 38.702 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.539 28.393 41.022 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.053 27.516 40.584 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.483 27.428 39.528 1.00 0.00 H new ATOM 689 N THR A 45 7.917 33.118 39.915 1.00 0.00 N ATOM 690 CA THR A 45 8.319 34.514 39.777 1.00 0.00 C ATOM 691 C THR A 45 9.026 34.735 38.446 1.00 0.00 C ATOM 692 O THR A 45 10.232 34.513 38.329 1.00 0.00 O ATOM 693 CB THR A 45 9.244 34.906 40.926 1.00 0.00 C ATOM 694 OG1 THR A 45 8.606 34.659 42.169 1.00 0.00 O ATOM 695 CG2 THR A 45 9.639 36.376 40.823 1.00 0.00 C ATOM 0 H THR A 45 8.630 32.444 39.637 1.00 0.00 H new ATOM 0 HA THR A 45 7.426 35.138 39.807 1.00 0.00 H new ATOM 0 HB THR A 45 10.149 34.301 40.863 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.207 34.912 42.901 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.298 36.635 41.652 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.157 36.548 39.880 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.744 36.997 40.864 1.00 0.00 H new ATOM 703 N LYS A 46 8.272 35.174 37.442 1.00 0.00 N ATOM 704 CA LYS A 46 8.833 35.426 36.119 1.00 0.00 C ATOM 705 C LYS A 46 9.661 36.705 36.128 1.00 0.00 C ATOM 706 O LYS A 46 9.143 37.796 35.895 1.00 0.00 O ATOM 707 CB LYS A 46 7.716 35.529 35.081 1.00 0.00 C ATOM 708 CG LYS A 46 6.761 36.678 35.391 1.00 0.00 C ATOM 709 CD LYS A 46 5.396 36.446 34.751 1.00 0.00 C ATOM 710 CE LYS A 46 5.398 36.860 33.282 1.00 0.00 C ATOM 711 NZ LYS A 46 4.095 36.549 32.629 1.00 0.00 N ATOM 0 H LYS A 46 7.273 35.362 37.520 1.00 0.00 H new ATOM 0 HA LYS A 46 9.483 34.592 35.854 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.151 35.674 34.092 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.160 34.592 35.051 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.647 36.779 36.470 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.183 37.614 35.026 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.126 35.393 34.835 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.637 37.013 35.290 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.601 37.928 33.203 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.202 36.344 32.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.128 36.842 31.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.915 35.526 32.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.332 37.061 33.115 1.00 0.00 H new ATOM 725 N GLY A 47 10.953 36.563 36.403 1.00 0.00 N ATOM 726 CA GLY A 47 11.857 37.707 36.445 1.00 0.00 C ATOM 727 C GLY A 47 13.296 37.266 36.210 1.00 0.00 C ATOM 728 O GLY A 47 14.237 37.931 36.643 1.00 0.00 O ATOM 0 H GLY A 47 11.398 35.667 36.600 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.566 38.434 35.687 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.777 38.204 37.412 1.00 0.00 H new ATOM 732 N GLU A 48 13.462 36.141 35.521 1.00 0.00 N ATOM 733 CA GLU A 48 14.788 35.611 35.230 1.00 0.00 C ATOM 734 C GLU A 48 15.129 35.820 33.759 1.00 0.00 C ATOM 735 O GLU A 48 14.257 36.136 32.949 1.00 0.00 O ATOM 736 CB GLU A 48 14.838 34.125 35.581 1.00 0.00 C ATOM 737 CG GLU A 48 16.266 33.580 35.533 1.00 0.00 C ATOM 738 CD GLU A 48 17.200 34.449 36.366 1.00 0.00 C ATOM 739 OE1 GLU A 48 17.689 35.471 35.840 1.00 0.00 O ATOM 740 OE2 GLU A 48 17.442 34.106 37.542 1.00 0.00 O ATOM 0 H GLU A 48 12.694 35.579 35.154 1.00 0.00 H new ATOM 0 HA GLU A 48 15.524 36.143 35.833 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.424 33.972 36.578 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.212 33.566 34.886 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.283 32.556 35.907 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.614 33.548 34.501 1.00 0.00 H new ATOM 747 N GLY A 49 16.407 35.651 33.421 1.00 0.00 N ATOM 748 CA GLY A 49 16.884 35.825 32.046 1.00 0.00 C ATOM 749 C GLY A 49 15.897 35.259 31.028 1.00 0.00 C ATOM 750 O GLY A 49 15.537 35.931 30.062 1.00 0.00 O ATOM 0 H GLY A 49 17.137 35.392 34.085 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.043 36.885 31.848 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.849 35.331 31.931 1.00 0.00 H new ATOM 754 N GLY A 50 15.463 34.022 31.249 1.00 0.00 N ATOM 755 CA GLY A 50 14.519 33.372 30.346 1.00 0.00 C ATOM 756 C GLY A 50 13.895 32.146 30.999 1.00 0.00 C ATOM 757 O GLY A 50 13.590 31.161 30.327 1.00 0.00 O ATOM 0 H GLY A 50 15.749 33.450 32.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.736 34.076 30.064 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.030 33.079 29.429 1.00 0.00 H new ATOM 761 N VAL A 51 13.704 32.210 32.313 1.00 0.00 N ATOM 762 CA VAL A 51 13.113 31.100 33.055 1.00 0.00 C ATOM 763 C VAL A 51 12.323 31.617 34.247 1.00 0.00 C ATOM 764 O VAL A 51 12.225 32.824 34.465 1.00 0.00 O ATOM 765 CB VAL A 51 14.203 30.155 33.543 1.00 0.00 C ATOM 766 CG1 VAL A 51 14.725 29.297 32.395 1.00 0.00 C ATOM 767 CG2 VAL A 51 15.340 30.941 34.186 1.00 0.00 C ATOM 0 H VAL A 51 13.949 33.017 32.886 1.00 0.00 H new ATOM 0 HA VAL A 51 12.440 30.563 32.387 1.00 0.00 H new ATOM 0 HB VAL A 51 13.773 29.493 34.295 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.503 28.629 32.765 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.907 28.708 31.980 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.138 29.941 31.619 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.111 30.251 34.529 1.00 0.00 H new ATOM 0 HG22 VAL A 51 15.767 31.627 33.455 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.956 31.508 35.034 1.00 0.00 H new ATOM 777 N TRP A 52 11.761 30.693 35.018 1.00 0.00 N ATOM 778 CA TRP A 52 10.979 31.053 36.194 1.00 0.00 C ATOM 779 C TRP A 52 11.743 30.698 37.463 1.00 0.00 C ATOM 780 O TRP A 52 12.053 29.532 37.705 1.00 0.00 O ATOM 781 CB TRP A 52 9.644 30.318 36.177 1.00 0.00 C ATOM 782 CG TRP A 52 9.065 30.188 34.802 1.00 0.00 C ATOM 783 CD1 TRP A 52 8.593 29.046 34.221 1.00 0.00 C ATOM 784 CD2 TRP A 52 8.904 31.238 33.827 1.00 0.00 C ATOM 785 NE1 TRP A 52 8.139 29.345 32.967 1.00 0.00 N ATOM 786 CE2 TRP A 52 8.314 30.666 32.693 1.00 0.00 C ATOM 787 CE3 TRP A 52 9.195 32.602 33.808 1.00 0.00 C ATOM 788 CZ2 TRP A 52 8.014 31.411 31.566 1.00 0.00 C ATOM 789 CZ3 TRP A 52 8.899 33.354 32.679 1.00 0.00 C ATOM 790 CH2 TRP A 52 8.311 32.762 31.569 1.00 0.00 C ATOM 0 H TRP A 52 11.832 29.690 34.850 1.00 0.00 H new ATOM 0 HA TRP A 52 10.798 32.128 36.177 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.777 29.324 36.605 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.936 30.847 36.815 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.580 28.067 34.677 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.725 28.670 32.324 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.649 33.071 34.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.558 30.948 30.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.128 34.409 32.664 1.00 0.00 H new ATOM 0 HH2 TRP A 52 8.084 33.362 30.700 1.00 0.00 H new ATOM 801 N THR A 53 12.037 31.707 38.275 1.00 0.00 N ATOM 802 CA THR A 53 12.758 31.496 39.525 1.00 0.00 C ATOM 803 C THR A 53 11.802 31.638 40.701 1.00 0.00 C ATOM 804 O THR A 53 10.610 31.886 40.514 1.00 0.00 O ATOM 805 CB THR A 53 13.899 32.503 39.652 1.00 0.00 C ATOM 806 OG1 THR A 53 13.776 33.506 38.656 1.00 0.00 O ATOM 807 CG2 THR A 53 15.253 31.807 39.530 1.00 0.00 C ATOM 0 H THR A 53 11.787 32.679 38.090 1.00 0.00 H new ATOM 0 HA THR A 53 13.179 30.490 39.527 1.00 0.00 H new ATOM 0 HB THR A 53 13.839 32.967 40.636 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.511 34.148 38.746 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.051 32.544 39.624 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.352 31.063 40.320 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.324 31.317 38.559 1.00 0.00 H new ATOM 815 N PHE A 54 12.323 31.482 41.913 1.00 0.00 N ATOM 816 CA PHE A 54 11.503 31.596 43.113 1.00 0.00 C ATOM 817 C PHE A 54 12.356 31.436 44.362 1.00 0.00 C ATOM 818 O PHE A 54 13.052 30.434 44.529 1.00 0.00 O ATOM 819 CB PHE A 54 10.406 30.535 43.095 1.00 0.00 C ATOM 820 CG PHE A 54 9.244 30.876 43.993 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.359 31.877 43.629 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.060 30.189 45.182 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.292 32.192 44.453 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.993 30.504 46.006 1.00 0.00 C ATOM 825 CZ PHE A 54 7.108 31.505 45.642 1.00 0.00 C ATOM 0 H PHE A 54 13.306 31.277 42.090 1.00 0.00 H new ATOM 0 HA PHE A 54 11.047 32.586 43.128 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.045 30.410 42.074 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.828 29.578 43.403 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.501 32.412 42.702 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.749 29.407 45.466 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.603 32.974 44.169 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.851 29.969 46.933 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.275 31.750 46.284 1.00 0.00 H new ATOM 835 N ASP A 55 12.295 32.430 45.242 1.00 0.00 N ATOM 836 CA ASP A 55 13.057 32.403 46.484 1.00 0.00 C ATOM 837 C ASP A 55 12.279 31.660 47.560 1.00 0.00 C ATOM 838 O ASP A 55 11.050 31.594 47.517 1.00 0.00 O ATOM 839 CB ASP A 55 13.353 33.828 46.942 1.00 0.00 C ATOM 840 CG ASP A 55 12.056 34.559 47.264 1.00 0.00 C ATOM 841 OD1 ASP A 55 11.530 34.374 48.382 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.567 35.314 46.398 1.00 0.00 O ATOM 0 H ASP A 55 11.724 33.266 45.117 1.00 0.00 H new ATOM 0 HA ASP A 55 13.999 31.883 46.310 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.996 33.808 47.822 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.896 34.363 46.163 1.00 0.00 H new ATOM 847 N SER A 56 12.998 31.098 48.525 1.00 0.00 N ATOM 848 CA SER A 56 12.370 30.356 49.613 1.00 0.00 C ATOM 849 C SER A 56 12.870 30.861 50.960 1.00 0.00 C ATOM 850 O SER A 56 14.075 30.912 51.208 1.00 0.00 O ATOM 851 CB SER A 56 12.673 28.867 49.470 1.00 0.00 C ATOM 852 OG SER A 56 14.012 28.592 49.847 1.00 0.00 O ATOM 0 H SER A 56 14.016 31.142 48.577 1.00 0.00 H new ATOM 0 HA SER A 56 11.292 30.509 49.562 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.989 28.290 50.092 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.508 28.554 48.439 1.00 0.00 H new ATOM 0 HG SER A 56 14.399 29.382 50.278 1.00 0.00 H new ATOM 858 N GLU A 57 11.935 31.232 51.830 1.00 0.00 N ATOM 859 CA GLU A 57 12.276 31.732 53.157 1.00 0.00 C ATOM 860 C GLU A 57 12.428 30.573 54.133 1.00 0.00 C ATOM 861 O GLU A 57 13.294 30.593 55.008 1.00 0.00 O ATOM 862 CB GLU A 57 11.194 32.689 53.649 1.00 0.00 C ATOM 863 CG GLU A 57 11.770 33.729 54.605 1.00 0.00 C ATOM 864 CD GLU A 57 12.318 34.915 53.824 1.00 0.00 C ATOM 865 OE1 GLU A 57 13.068 34.691 52.850 1.00 0.00 O ATOM 866 OE2 GLU A 57 11.997 36.067 54.185 1.00 0.00 O ATOM 0 H GLU A 57 10.934 31.195 51.639 1.00 0.00 H new ATOM 0 HA GLU A 57 13.223 32.268 53.097 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.733 33.190 52.797 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.408 32.126 54.151 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.997 34.065 55.296 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.562 33.282 55.205 1.00 0.00 H new ATOM 873 N GLU A 58 11.580 29.561 53.977 1.00 0.00 N ATOM 874 CA GLU A 58 11.617 28.388 54.843 1.00 0.00 C ATOM 875 C GLU A 58 12.943 27.651 54.678 1.00 0.00 C ATOM 876 O GLU A 58 13.446 27.508 53.564 1.00 0.00 O ATOM 877 CB GLU A 58 10.459 27.453 54.502 1.00 0.00 C ATOM 878 CG GLU A 58 10.415 27.148 53.007 1.00 0.00 C ATOM 879 CD GLU A 58 9.089 27.609 52.416 1.00 0.00 C ATOM 880 OE1 GLU A 58 9.005 28.777 51.981 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.137 26.802 52.389 1.00 0.00 O ATOM 0 H GLU A 58 10.858 29.530 53.257 1.00 0.00 H new ATOM 0 HA GLU A 58 11.522 28.714 55.879 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.562 26.524 55.062 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.518 27.908 54.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.241 27.649 52.502 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.543 26.078 52.843 1.00 0.00 H new ATOM 888 N PRO A 59 13.529 27.172 55.790 1.00 0.00 N ATOM 889 CA PRO A 59 14.807 26.444 55.761 1.00 0.00 C ATOM 890 C PRO A 59 14.661 25.036 55.187 1.00 0.00 C ATOM 891 O PRO A 59 15.652 24.398 54.830 1.00 0.00 O ATOM 892 CB PRO A 59 15.230 26.390 57.222 1.00 0.00 C ATOM 893 CG PRO A 59 13.967 26.505 58.006 1.00 0.00 C ATOM 894 CD PRO A 59 13.001 27.297 57.160 1.00 0.00 C ATOM 0 HA PRO A 59 15.537 26.936 55.119 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.748 25.458 57.447 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.917 27.202 57.462 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.562 25.519 58.235 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.147 27.004 58.958 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.989 26.899 57.234 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.958 28.339 57.476 1.00 0.00 H new ATOM 902 N LEU A 60 13.424 24.555 55.102 1.00 0.00 N ATOM 903 CA LEU A 60 13.154 23.221 54.573 1.00 0.00 C ATOM 904 C LEU A 60 13.844 23.030 53.228 1.00 0.00 C ATOM 905 O LEU A 60 13.693 23.847 52.319 1.00 0.00 O ATOM 906 CB LEU A 60 11.649 23.020 54.415 1.00 0.00 C ATOM 907 CG LEU A 60 11.200 21.699 55.031 1.00 0.00 C ATOM 908 CD1 LEU A 60 10.004 21.919 55.953 1.00 0.00 C ATOM 909 CD2 LEU A 60 10.857 20.688 53.941 1.00 0.00 C ATOM 0 H LEU A 60 12.592 25.069 55.393 1.00 0.00 H new ATOM 0 HA LEU A 60 13.545 22.484 55.274 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.118 23.845 54.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.386 23.039 53.357 1.00 0.00 H new ATOM 0 HG LEU A 60 12.023 21.298 55.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.697 20.966 56.384 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.282 22.606 56.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.178 22.342 55.382 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.539 19.752 54.400 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.051 21.081 53.321 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.736 20.508 53.322 1.00 0.00 H new ATOM 921 N GLN A 61 14.602 21.945 53.107 1.00 0.00 N ATOM 922 CA GLN A 61 15.318 21.641 51.872 1.00 0.00 C ATOM 923 C GLN A 61 14.754 20.377 51.232 1.00 0.00 C ATOM 924 O GLN A 61 15.459 19.381 51.069 1.00 0.00 O ATOM 925 CB GLN A 61 16.806 21.464 52.165 1.00 0.00 C ATOM 926 CG GLN A 61 17.607 22.682 51.715 1.00 0.00 C ATOM 927 CD GLN A 61 17.503 23.794 52.751 1.00 0.00 C ATOM 928 OE1 GLN A 61 16.608 24.745 52.512 1.00 0.00 O flip ATOM 929 NE2 GLN A 61 18.220 23.793 53.751 1.00 0.00 N flip ATOM 0 H GLN A 61 14.737 21.260 53.851 1.00 0.00 H new ATOM 0 HA GLN A 61 15.190 22.470 51.176 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.952 21.304 53.233 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.176 20.574 51.656 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.652 22.406 51.571 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.235 23.035 50.753 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.895 23.041 53.894 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.140 24.544 54.437 1.00 0.00 H new ATOM 938 N GLY A 62 13.476 20.424 50.872 1.00 0.00 N ATOM 939 CA GLY A 62 12.812 19.283 50.250 1.00 0.00 C ATOM 940 C GLY A 62 12.566 19.545 48.768 1.00 0.00 C ATOM 941 O GLY A 62 13.138 20.469 48.191 1.00 0.00 O ATOM 0 H GLY A 62 12.878 21.241 51.000 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.425 18.390 50.370 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.864 19.089 50.752 1.00 0.00 H new ATOM 945 N PRO A 63 11.704 18.733 48.132 1.00 0.00 N ATOM 946 CA PRO A 63 11.383 18.885 46.706 1.00 0.00 C ATOM 947 C PRO A 63 10.472 20.080 46.449 1.00 0.00 C ATOM 948 O PRO A 63 10.210 20.878 47.349 1.00 0.00 O ATOM 949 CB PRO A 63 10.687 17.581 46.343 1.00 0.00 C ATOM 950 CG PRO A 63 10.120 17.061 47.625 1.00 0.00 C ATOM 951 CD PRO A 63 10.976 17.608 48.744 1.00 0.00 C ATOM 0 HA PRO A 63 12.274 19.073 46.106 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.902 17.747 45.605 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.389 16.870 45.907 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.083 17.376 47.744 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.125 15.971 47.634 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.367 17.939 49.585 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.662 16.852 49.126 1.00 0.00 H new ATOM 959 N PHE A 64 9.995 20.203 45.214 1.00 0.00 N ATOM 960 CA PHE A 64 9.116 21.306 44.839 1.00 0.00 C ATOM 961 C PHE A 64 8.211 20.902 43.682 1.00 0.00 C ATOM 962 O PHE A 64 8.657 20.802 42.539 1.00 0.00 O ATOM 963 CB PHE A 64 9.948 22.520 44.438 1.00 0.00 C ATOM 964 CG PHE A 64 10.929 22.943 45.501 1.00 0.00 C ATOM 965 CD1 PHE A 64 12.164 22.323 45.588 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.600 23.955 46.389 1.00 0.00 C ATOM 967 CE1 PHE A 64 13.069 22.712 46.561 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.505 24.344 47.363 1.00 0.00 C ATOM 969 CZ PHE A 64 12.740 23.723 47.449 1.00 0.00 C ATOM 0 H PHE A 64 10.202 19.553 44.456 1.00 0.00 H new ATOM 0 HA PHE A 64 8.495 21.559 45.698 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.491 22.293 43.521 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.281 23.353 44.216 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.422 21.535 44.896 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.638 24.441 46.322 1.00 0.00 H new ATOM 0 HE1 PHE A 64 14.032 22.227 46.628 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.247 25.132 48.055 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.446 24.027 48.208 1.00 0.00 H new ATOM 979 N ASN A 65 6.936 20.678 43.983 1.00 0.00 N ATOM 980 CA ASN A 65 5.966 20.294 42.963 1.00 0.00 C ATOM 981 C ASN A 65 5.602 21.503 42.112 1.00 0.00 C ATOM 982 O ASN A 65 5.101 22.504 42.624 1.00 0.00 O ATOM 983 CB ASN A 65 4.714 19.721 43.622 1.00 0.00 C ATOM 984 CG ASN A 65 5.093 18.615 44.599 1.00 0.00 C ATOM 985 OD1 ASN A 65 5.289 17.465 44.206 1.00 0.00 O ATOM 986 ND2 ASN A 65 5.198 18.964 45.876 1.00 0.00 N ATOM 0 H ASN A 65 6.550 20.756 44.924 1.00 0.00 H new ATOM 0 HA ASN A 65 6.408 19.531 42.323 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.176 20.511 44.146 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.040 19.328 42.860 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.450 18.267 46.576 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.026 19.930 46.157 1.00 0.00 H new ATOM 993 N PHE A 66 5.867 21.409 40.813 1.00 0.00 N ATOM 994 CA PHE A 66 5.575 22.502 39.891 1.00 0.00 C ATOM 995 C PHE A 66 4.150 22.400 39.365 1.00 0.00 C ATOM 996 O PHE A 66 3.483 21.380 39.542 1.00 0.00 O ATOM 997 CB PHE A 66 6.561 22.479 38.728 1.00 0.00 C ATOM 998 CG PHE A 66 7.776 23.337 38.977 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.750 24.684 38.657 1.00 0.00 C ATOM 1000 CD2 PHE A 66 8.917 22.778 39.528 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.866 25.472 38.888 1.00 0.00 C ATOM 1002 CE2 PHE A 66 10.033 23.566 39.758 1.00 0.00 C ATOM 1003 CZ PHE A 66 10.007 24.913 39.438 1.00 0.00 C ATOM 0 H PHE A 66 6.283 20.588 40.375 1.00 0.00 H new ATOM 0 HA PHE A 66 5.676 23.444 40.431 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.878 21.452 38.546 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.058 22.822 37.824 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.860 25.120 38.228 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.937 21.728 39.778 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.846 26.523 38.639 1.00 0.00 H new ATOM 0 HE2 PHE A 66 10.923 23.130 40.187 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.877 25.528 39.617 1.00 0.00 H new ATOM 1013 N ARG A 67 3.687 23.466 38.719 1.00 0.00 N ATOM 1014 CA ARG A 67 2.337 23.501 38.167 1.00 0.00 C ATOM 1015 C ARG A 67 2.133 24.757 37.331 1.00 0.00 C ATOM 1016 O ARG A 67 2.188 25.871 37.847 1.00 0.00 O ATOM 1017 CB ARG A 67 1.316 23.465 39.299 1.00 0.00 C ATOM 1018 CG ARG A 67 0.482 22.192 39.242 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.524 22.139 40.388 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.876 22.365 39.887 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.911 22.522 40.708 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.710 22.763 41.997 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.149 22.438 40.240 1.00 0.00 N ATOM 0 H ARG A 67 4.227 24.317 38.565 1.00 0.00 H new ATOM 0 HA ARG A 67 2.201 22.630 37.526 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.830 23.525 40.259 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.663 24.335 39.232 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.045 22.142 38.289 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.137 21.322 39.290 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.470 21.170 40.884 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.275 22.893 41.135 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.032 22.404 38.880 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.760 22.828 42.361 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.506 22.883 42.624 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.308 22.253 39.250 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.942 22.559 40.870 1.00 0.00 H new ATOM 1037 N PHE A 68 1.892 24.572 36.040 1.00 0.00 N ATOM 1038 CA PHE A 68 1.675 25.696 35.137 1.00 0.00 C ATOM 1039 C PHE A 68 0.334 25.564 34.434 1.00 0.00 C ATOM 1040 O PHE A 68 -0.322 24.525 34.509 1.00 0.00 O ATOM 1041 CB PHE A 68 2.793 25.770 34.099 1.00 0.00 C ATOM 1042 CG PHE A 68 3.278 24.413 33.650 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.367 23.431 33.295 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.637 24.148 33.593 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.814 22.187 32.883 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.083 22.903 33.181 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.172 21.923 32.826 1.00 0.00 C ATOM 0 H PHE A 68 1.842 23.656 35.594 1.00 0.00 H new ATOM 0 HA PHE A 68 1.677 26.612 35.728 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.439 26.327 33.232 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.631 26.329 34.516 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.308 23.636 33.340 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.348 24.912 33.870 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.103 21.422 32.606 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.142 22.697 33.137 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.520 20.953 32.505 1.00 0.00 H new ATOM 1057 N LEU A 69 -0.062 26.623 33.743 1.00 0.00 N ATOM 1058 CA LEU A 69 -1.321 26.639 33.009 1.00 0.00 C ATOM 1059 C LEU A 69 -1.055 27.020 31.561 1.00 0.00 C ATOM 1060 O LEU A 69 -1.439 28.101 31.120 1.00 0.00 O ATOM 1061 CB LEU A 69 -2.293 27.637 33.641 1.00 0.00 C ATOM 1062 CG LEU A 69 -2.180 27.650 35.165 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -3.136 28.678 35.761 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -2.459 26.263 35.737 1.00 0.00 C ATOM 0 H LEU A 69 0.474 27.488 33.675 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.770 25.646 33.048 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.092 28.636 33.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.313 27.383 33.354 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.161 27.931 35.432 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.043 28.675 36.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.889 29.669 35.379 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.160 28.427 35.484 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.374 26.293 36.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.466 25.951 35.461 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.737 25.552 35.336 1.00 0.00 H new ATOM 1076 N THR A 70 -0.379 26.122 30.834 1.00 0.00 N ATOM 1077 CA THR A 70 -0.022 26.338 29.423 1.00 0.00 C ATOM 1078 C THR A 70 -1.085 27.146 28.685 1.00 0.00 C ATOM 1079 O THR A 70 -2.283 26.935 28.872 1.00 0.00 O ATOM 1080 CB THR A 70 0.171 24.993 28.729 1.00 0.00 C ATOM 1081 OG1 THR A 70 -1.011 24.217 28.838 1.00 0.00 O ATOM 1082 CG2 THR A 70 1.351 24.235 29.333 1.00 0.00 C ATOM 0 H THR A 70 -0.064 25.226 31.205 1.00 0.00 H new ATOM 0 HA THR A 70 0.907 26.908 29.400 1.00 0.00 H new ATOM 0 HB THR A 70 0.384 25.177 27.676 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.090 23.630 28.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.469 23.279 28.822 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.260 24.824 29.216 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.167 24.060 30.393 1.00 0.00 H new ATOM 1090 N GLU A 71 -0.634 28.076 27.850 1.00 0.00 N ATOM 1091 CA GLU A 71 -1.543 28.923 27.087 1.00 0.00 C ATOM 1092 C GLU A 71 -2.526 28.069 26.298 1.00 0.00 C ATOM 1093 O GLU A 71 -3.634 28.507 25.988 1.00 0.00 O ATOM 1094 CB GLU A 71 -0.754 29.823 26.140 1.00 0.00 C ATOM 1095 CG GLU A 71 0.452 30.448 26.837 1.00 0.00 C ATOM 1096 CD GLU A 71 0.374 31.967 26.760 1.00 0.00 C ATOM 1097 OE1 GLU A 71 -0.549 32.548 27.369 1.00 0.00 O ATOM 1098 OE2 GLU A 71 1.235 32.574 26.089 1.00 0.00 O ATOM 0 H GLU A 71 0.355 28.262 27.685 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.103 29.548 27.783 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.418 29.243 25.280 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.404 30.611 25.759 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.484 30.130 27.879 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.373 30.100 26.369 1.00 0.00 H new ATOM 1105 N LYS A 72 -2.117 26.845 25.978 1.00 0.00 N ATOM 1106 CA LYS A 72 -2.965 25.926 25.227 1.00 0.00 C ATOM 1107 C LYS A 72 -4.170 25.517 26.063 1.00 0.00 C ATOM 1108 O LYS A 72 -5.313 25.626 25.619 1.00 0.00 O ATOM 1109 CB LYS A 72 -2.165 24.689 24.829 1.00 0.00 C ATOM 1110 CG LYS A 72 -2.665 24.110 23.509 1.00 0.00 C ATOM 1111 CD LYS A 72 -3.890 23.226 23.722 1.00 0.00 C ATOM 1112 CE LYS A 72 -4.071 22.247 22.566 1.00 0.00 C ATOM 1113 NZ LYS A 72 -5.511 21.940 22.338 1.00 0.00 N ATOM 0 H LYS A 72 -1.203 26.467 26.227 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.317 26.430 24.327 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.110 24.948 24.739 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.242 23.935 25.612 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.913 24.921 22.824 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.871 23.529 23.040 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.786 22.674 24.656 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.779 23.849 23.817 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.639 22.668 21.659 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.530 21.325 22.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.602 21.272 21.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.916 21.516 23.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.021 22.817 22.111 1.00 0.00 H new ATOM 1127 N GLY A 73 -3.906 25.045 27.278 1.00 0.00 N ATOM 1128 CA GLY A 73 -4.968 24.618 28.183 1.00 0.00 C ATOM 1129 C GLY A 73 -4.803 23.150 28.556 1.00 0.00 C ATOM 1130 O GLY A 73 -5.693 22.334 28.315 1.00 0.00 O ATOM 0 H GLY A 73 -2.965 24.949 27.659 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.952 25.231 29.084 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.938 24.771 27.710 1.00 0.00 H new ATOM 1134 N MET A 74 -3.659 22.819 29.146 1.00 0.00 N ATOM 1135 CA MET A 74 -3.375 21.447 29.555 1.00 0.00 C ATOM 1136 C MET A 74 -2.855 21.417 30.987 1.00 0.00 C ATOM 1137 O MET A 74 -1.676 21.150 31.224 1.00 0.00 O ATOM 1138 CB MET A 74 -2.346 20.825 28.615 1.00 0.00 C ATOM 1139 CG MET A 74 -2.917 20.642 27.212 1.00 0.00 C ATOM 1140 SD MET A 74 -3.353 18.930 26.868 1.00 0.00 S ATOM 1141 CE MET A 74 -2.640 18.721 25.228 1.00 0.00 C ATOM 0 H MET A 74 -2.912 23.483 29.352 1.00 0.00 H new ATOM 0 HA MET A 74 -4.299 20.870 29.506 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.461 21.460 28.570 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.027 19.860 29.009 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.801 21.269 27.098 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.187 20.983 26.478 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.827 17.706 24.876 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.095 19.433 24.540 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.565 18.896 25.274 1.00 0.00 H new ATOM 1151 N LYS A 75 -3.740 21.691 31.940 1.00 0.00 N ATOM 1152 CA LYS A 75 -3.373 21.696 33.352 1.00 0.00 C ATOM 1153 C LYS A 75 -2.873 20.321 33.775 1.00 0.00 C ATOM 1154 O LYS A 75 -3.220 19.309 33.166 1.00 0.00 O ATOM 1155 CB LYS A 75 -4.576 22.097 34.201 1.00 0.00 C ATOM 1156 CG LYS A 75 -4.293 23.365 35.002 1.00 0.00 C ATOM 1157 CD LYS A 75 -5.198 24.512 34.562 1.00 0.00 C ATOM 1158 CE LYS A 75 -6.051 25.020 35.721 1.00 0.00 C ATOM 1159 NZ LYS A 75 -6.491 26.426 35.495 1.00 0.00 N ATOM 0 H LYS A 75 -4.719 21.913 31.760 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.572 22.420 33.503 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.441 22.257 33.557 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.831 21.284 34.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.442 23.168 36.064 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.249 23.653 34.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.591 25.328 34.170 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.845 24.177 33.751 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.924 24.379 35.841 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.481 24.960 36.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.375 26.972 36.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.914 26.854 34.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.492 26.435 35.212 1.00 0.00 H new ATOM 1173 N ASN A 76 -2.054 20.290 34.822 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.504 19.036 35.328 1.00 0.00 C ATOM 1175 C ASN A 76 -0.559 19.298 36.494 1.00 0.00 C ATOM 1176 O ASN A 76 0.052 20.363 36.584 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.759 18.310 34.212 1.00 0.00 C ATOM 1178 CG ASN A 76 -1.621 17.191 33.643 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -2.468 16.631 34.339 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.405 16.864 32.374 1.00 0.00 N ATOM 0 H ASN A 76 -1.756 21.119 35.337 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.326 18.412 35.679 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.497 19.014 33.422 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.175 17.900 34.596 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.952 16.121 31.938 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.692 17.356 31.835 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.441 18.318 37.386 1.00 0.00 N ATOM 1188 CA VAL A 77 0.434 18.439 38.548 1.00 0.00 C ATOM 1189 C VAL A 77 1.694 17.608 38.345 1.00 0.00 C ATOM 1190 O VAL A 77 1.683 16.609 37.627 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.304 17.983 39.806 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.626 17.997 41.018 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.518 18.871 40.060 1.00 0.00 C ATOM 0 H VAL A 77 -0.941 17.431 37.326 1.00 0.00 H new ATOM 0 HA VAL A 77 0.721 19.484 38.668 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.644 16.959 39.649 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.078 17.669 41.901 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.465 17.324 40.841 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.000 19.008 41.178 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.034 18.534 40.959 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.193 19.903 40.193 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.197 18.812 39.209 1.00 0.00 H new ATOM 1203 N PHE A 78 2.783 18.037 38.973 1.00 0.00 N ATOM 1204 CA PHE A 78 4.055 17.349 38.856 1.00 0.00 C ATOM 1205 C PHE A 78 4.628 17.036 40.232 1.00 0.00 C ATOM 1206 O PHE A 78 4.427 17.788 41.185 1.00 0.00 O ATOM 1207 CB PHE A 78 5.017 18.228 38.075 1.00 0.00 C ATOM 1208 CG PHE A 78 4.442 18.676 36.756 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.287 17.766 35.724 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.059 19.995 36.577 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.751 18.174 34.515 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.524 20.404 35.367 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.370 19.493 34.336 1.00 0.00 C ATOM 0 H PHE A 78 2.806 18.863 39.571 1.00 0.00 H new ATOM 0 HA PHE A 78 3.907 16.405 38.332 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.273 19.103 38.673 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.943 17.681 37.898 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.585 16.737 35.863 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.178 20.705 37.382 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.630 17.463 33.711 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.227 21.433 35.228 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.953 19.811 33.392 1.00 0.00 H new ATOM 1223 N ASP A 79 5.344 15.921 40.327 1.00 0.00 N ATOM 1224 CA ASP A 79 5.953 15.502 41.586 1.00 0.00 C ATOM 1225 C ASP A 79 7.391 15.059 41.354 1.00 0.00 C ATOM 1226 O ASP A 79 7.786 14.767 40.225 1.00 0.00 O ATOM 1227 CB ASP A 79 5.149 14.360 42.200 1.00 0.00 C ATOM 1228 CG ASP A 79 5.356 14.324 43.708 1.00 0.00 C ATOM 1229 OD1 ASP A 79 6.317 14.957 44.193 1.00 0.00 O ATOM 1230 OD2 ASP A 79 4.556 13.662 44.402 1.00 0.00 O ATOM 0 H ASP A 79 5.518 15.289 39.545 1.00 0.00 H new ATOM 0 HA ASP A 79 5.953 16.347 42.274 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.090 14.488 41.974 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.457 13.411 41.760 1.00 0.00 H new ATOM 1235 N ASP A 80 8.173 15.012 42.427 1.00 0.00 N ATOM 1236 CA ASP A 80 9.571 14.605 42.338 1.00 0.00 C ATOM 1237 C ASP A 80 10.304 15.459 41.312 1.00 0.00 C ATOM 1238 O ASP A 80 11.064 14.946 40.491 1.00 0.00 O ATOM 1239 CB ASP A 80 9.664 13.132 41.949 1.00 0.00 C ATOM 1240 CG ASP A 80 9.030 12.261 43.025 1.00 0.00 C ATOM 1241 OD1 ASP A 80 7.810 12.397 43.259 1.00 0.00 O ATOM 1242 OD2 ASP A 80 9.754 11.446 43.635 1.00 0.00 O ATOM 0 H ASP A 80 7.863 15.251 43.369 1.00 0.00 H new ATOM 0 HA ASP A 80 10.038 14.746 43.313 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.161 12.968 40.996 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.708 12.850 41.812 1.00 0.00 H new ATOM 1247 N VAL A 81 10.069 16.766 41.365 1.00 0.00 N ATOM 1248 CA VAL A 81 10.704 17.699 40.440 1.00 0.00 C ATOM 1249 C VAL A 81 11.994 18.276 41.032 1.00 0.00 C ATOM 1250 O VAL A 81 12.638 19.120 40.411 1.00 0.00 O ATOM 1251 CB VAL A 81 9.733 18.827 40.103 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.357 19.797 39.104 1.00 0.00 C ATOM 1253 CG2 VAL A 81 8.428 18.261 39.549 1.00 0.00 C ATOM 0 H VAL A 81 9.442 17.204 42.040 1.00 0.00 H new ATOM 0 HA VAL A 81 10.965 17.157 39.531 1.00 0.00 H new ATOM 0 HB VAL A 81 9.514 19.373 41.021 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.647 20.593 38.878 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.262 20.228 39.532 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.608 19.264 38.187 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.747 19.079 39.314 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.634 17.690 38.644 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.969 17.610 40.293 1.00 0.00 H new ATOM 1263 N VAL A 82 12.372 17.815 42.227 1.00 0.00 N ATOM 1264 CA VAL A 82 13.589 18.283 42.890 1.00 0.00 C ATOM 1265 C VAL A 82 14.033 17.257 43.937 1.00 0.00 C ATOM 1266 O VAL A 82 13.369 17.081 44.959 1.00 0.00 O ATOM 1267 CB VAL A 82 13.339 19.644 43.552 1.00 0.00 C ATOM 1268 CG1 VAL A 82 14.524 20.057 44.426 1.00 0.00 C ATOM 1269 CG2 VAL A 82 13.074 20.712 42.496 1.00 0.00 C ATOM 0 H VAL A 82 11.850 17.116 42.755 1.00 0.00 H new ATOM 0 HA VAL A 82 14.379 18.398 42.148 1.00 0.00 H new ATOM 0 HB VAL A 82 12.459 19.548 44.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.319 21.025 44.883 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.677 19.312 45.207 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.422 20.128 43.812 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.899 21.671 42.984 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.938 20.793 41.836 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.196 20.436 41.912 1.00 0.00 H new ATOM 1279 N PRO A 83 15.161 16.563 43.695 1.00 0.00 N ATOM 1280 CA PRO A 83 15.681 15.548 44.626 1.00 0.00 C ATOM 1281 C PRO A 83 16.346 16.169 45.852 1.00 0.00 C ATOM 1282 O PRO A 83 17.538 15.975 46.084 1.00 0.00 O ATOM 1283 CB PRO A 83 16.699 14.777 43.798 1.00 0.00 C ATOM 1284 CG PRO A 83 17.141 15.722 42.728 1.00 0.00 C ATOM 1285 CD PRO A 83 16.014 16.701 42.503 1.00 0.00 C ATOM 0 HA PRO A 83 14.882 14.921 45.023 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.541 14.456 44.411 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.256 13.878 43.369 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.050 16.244 43.027 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.371 15.182 41.809 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.388 17.719 42.399 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.463 16.469 41.592 1.00 0.00 H new ATOM 1293 N GLU A 84 15.566 16.909 46.634 1.00 0.00 N ATOM 1294 CA GLU A 84 16.075 17.557 47.842 1.00 0.00 C ATOM 1295 C GLU A 84 17.298 18.412 47.517 1.00 0.00 C ATOM 1296 O GLU A 84 17.172 19.606 47.244 1.00 0.00 O ATOM 1297 CB GLU A 84 16.427 16.503 48.889 1.00 0.00 C ATOM 1298 CG GLU A 84 15.184 16.023 49.632 1.00 0.00 C ATOM 1299 CD GLU A 84 15.389 16.143 51.136 1.00 0.00 C ATOM 1300 OE1 GLU A 84 16.492 15.806 51.615 1.00 0.00 O ATOM 1301 OE2 GLU A 84 14.447 16.575 51.833 1.00 0.00 O ATOM 0 H GLU A 84 14.576 17.076 46.454 1.00 0.00 H new ATOM 0 HA GLU A 84 15.299 18.209 48.243 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.914 15.656 48.406 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.141 16.918 49.600 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.319 16.613 49.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.972 14.987 49.368 1.00 0.00 H new ATOM 1308 N LYS A 85 18.482 17.800 47.543 1.00 0.00 N ATOM 1309 CA LYS A 85 19.718 18.515 47.244 1.00 0.00 C ATOM 1310 C LYS A 85 19.989 18.480 45.746 1.00 0.00 C ATOM 1311 O LYS A 85 21.043 18.022 45.304 1.00 0.00 O ATOM 1312 CB LYS A 85 20.884 17.883 48.001 1.00 0.00 C ATOM 1313 CG LYS A 85 21.036 18.495 49.391 1.00 0.00 C ATOM 1314 CD LYS A 85 22.395 19.170 49.553 1.00 0.00 C ATOM 1315 CE LYS A 85 22.360 20.612 49.054 1.00 0.00 C ATOM 1316 NZ LYS A 85 21.874 21.540 50.115 1.00 0.00 N ATOM 0 H LYS A 85 18.609 16.813 47.768 1.00 0.00 H new ATOM 0 HA LYS A 85 19.612 19.553 47.561 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.724 16.808 48.089 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.806 18.023 47.436 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.243 19.224 49.559 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.920 17.719 50.147 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.689 19.153 50.602 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.150 18.610 49.001 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.358 20.913 48.734 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.711 20.682 48.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.861 22.512 49.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.913 21.266 50.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.509 21.490 50.937 1.00 0.00 H new ATOM 1330 N TYR A 86 19.026 18.964 44.969 1.00 0.00 N ATOM 1331 CA TYR A 86 19.144 18.990 43.514 1.00 0.00 C ATOM 1332 C TYR A 86 20.489 19.567 43.089 1.00 0.00 C ATOM 1333 O TYR A 86 21.281 20.007 43.922 1.00 0.00 O ATOM 1334 CB TYR A 86 18.014 19.825 42.920 1.00 0.00 C ATOM 1335 CG TYR A 86 18.130 21.289 43.260 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.852 22.137 42.439 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.516 21.786 44.397 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.958 23.482 42.753 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.623 23.131 44.710 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.344 23.972 43.887 1.00 0.00 C ATOM 1341 OH TYR A 86 18.450 25.308 44.198 1.00 0.00 O ATOM 0 H TYR A 86 18.150 19.346 45.325 1.00 0.00 H new ATOM 0 HA TYR A 86 19.075 17.967 43.144 1.00 0.00 H new ATOM 0 HB2 TYR A 86 18.012 19.707 41.836 1.00 0.00 H new ATOM 0 HB3 TYR A 86 17.059 19.447 43.284 1.00 0.00 H new ATOM 0 HD1 TYR A 86 19.333 21.750 41.553 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.954 21.125 45.040 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.520 24.145 42.112 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.143 23.521 45.596 1.00 0.00 H new ATOM 0 HH TYR A 86 17.960 25.491 45.027 1.00 0.00 H new ATOM 1351 N THR A 87 20.737 19.560 41.783 1.00 0.00 N ATOM 1352 CA THR A 87 21.983 20.080 41.231 1.00 0.00 C ATOM 1353 C THR A 87 21.720 20.759 39.892 1.00 0.00 C ATOM 1354 O THR A 87 21.010 20.221 39.043 1.00 0.00 O ATOM 1355 CB THR A 87 22.985 18.943 41.050 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.577 17.814 41.807 1.00 0.00 O ATOM 1357 CG2 THR A 87 24.383 19.380 41.475 1.00 0.00 C ATOM 0 H THR A 87 20.088 19.198 41.084 1.00 0.00 H new ATOM 0 HA THR A 87 22.397 20.814 41.923 1.00 0.00 H new ATOM 0 HB THR A 87 23.016 18.675 39.994 1.00 0.00 H new ATOM 0 HG1 THR A 87 23.223 17.088 41.685 1.00 0.00 H new ATOM 0 HG21 THR A 87 25.080 18.554 41.337 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.700 20.227 40.867 1.00 0.00 H new ATOM 0 HG23 THR A 87 24.369 19.672 42.525 1.00 0.00 H new ATOM 1365 N ILE A 88 22.294 21.943 39.710 1.00 0.00 N ATOM 1366 CA ILE A 88 22.118 22.696 38.472 1.00 0.00 C ATOM 1367 C ILE A 88 22.748 21.952 37.302 1.00 0.00 C ATOM 1368 O ILE A 88 23.955 21.714 37.282 1.00 0.00 O ATOM 1369 CB ILE A 88 22.746 24.080 38.609 1.00 0.00 C ATOM 1370 CG1 ILE A 88 22.165 24.818 39.814 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.535 24.894 37.336 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.639 24.842 39.770 1.00 0.00 C ATOM 0 H ILE A 88 22.885 22.402 40.403 1.00 0.00 H new ATOM 0 HA ILE A 88 21.051 22.806 38.281 1.00 0.00 H new ATOM 0 HB ILE A 88 23.817 23.954 38.765 1.00 0.00 H new ATOM 0 HG12 ILE A 88 22.496 24.335 40.733 1.00 0.00 H new ATOM 0 HG13 ILE A 88 22.546 25.839 39.836 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.990 25.878 37.453 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.997 24.379 36.494 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.467 25.008 37.150 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.258 25.374 40.642 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.309 25.348 38.863 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.259 23.820 39.774 1.00 0.00 H new ATOM 1384 N GLY A 89 21.921 21.586 36.328 1.00 0.00 N ATOM 1385 CA GLY A 89 22.393 20.867 35.149 1.00 0.00 C ATOM 1386 C GLY A 89 21.813 19.459 35.112 1.00 0.00 C ATOM 1387 O GLY A 89 22.474 18.517 34.675 1.00 0.00 O ATOM 0 H GLY A 89 20.919 21.776 36.332 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.106 21.408 34.247 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.482 20.818 35.158 1.00 0.00 H new ATOM 1391 N ALA A 90 20.574 19.323 35.572 1.00 0.00 N ATOM 1392 CA ALA A 90 19.902 18.028 35.591 1.00 0.00 C ATOM 1393 C ALA A 90 18.449 18.178 35.160 1.00 0.00 C ATOM 1394 O ALA A 90 17.970 19.290 34.936 1.00 0.00 O ATOM 1395 CB ALA A 90 19.970 17.427 36.992 1.00 0.00 C ATOM 0 H ALA A 90 20.014 20.094 35.937 1.00 0.00 H new ATOM 0 HA ALA A 90 20.407 17.362 34.891 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.466 16.460 36.998 1.00 0.00 H new ATOM 0 HB2 ALA A 90 21.013 17.295 37.281 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.480 18.096 37.699 1.00 0.00 H new ATOM 1401 N THR A 91 17.751 17.052 35.047 1.00 0.00 N ATOM 1402 CA THR A 91 16.348 17.055 34.643 1.00 0.00 C ATOM 1403 C THR A 91 15.504 16.294 35.658 1.00 0.00 C ATOM 1404 O THR A 91 15.474 15.064 35.656 1.00 0.00 O ATOM 1405 CB THR A 91 16.202 16.419 33.264 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.143 16.985 32.365 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.785 16.607 32.727 1.00 0.00 C ATOM 0 H THR A 91 18.134 16.125 35.230 1.00 0.00 H new ATOM 0 HA THR A 91 15.998 18.086 34.599 1.00 0.00 H new ATOM 0 HB THR A 91 16.395 15.350 33.356 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.043 16.570 31.483 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.705 16.145 31.743 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.073 16.139 33.407 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.564 17.671 32.648 1.00 0.00 H new ATOM 1415 N TYR A 92 14.818 17.034 36.523 1.00 0.00 N ATOM 1416 CA TYR A 92 13.969 16.429 37.546 1.00 0.00 C ATOM 1417 C TYR A 92 12.500 16.622 37.195 1.00 0.00 C ATOM 1418 O TYR A 92 12.074 17.725 36.853 1.00 0.00 O ATOM 1419 CB TYR A 92 14.261 17.056 38.906 1.00 0.00 C ATOM 1420 CG TYR A 92 15.735 17.189 39.190 1.00 0.00 C ATOM 1421 CD1 TYR A 92 16.539 16.064 39.226 1.00 0.00 C ATOM 1422 CD2 TYR A 92 16.286 18.439 39.417 1.00 0.00 C ATOM 1423 CE1 TYR A 92 17.894 16.188 39.488 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.641 18.561 39.679 1.00 0.00 C ATOM 1425 CZ TYR A 92 18.438 17.435 39.713 1.00 0.00 C ATOM 1426 OH TYR A 92 19.784 17.557 39.973 1.00 0.00 O ATOM 0 H TYR A 92 14.833 18.054 36.537 1.00 0.00 H new ATOM 0 HA TYR A 92 14.184 15.361 37.590 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.798 18.041 38.952 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.800 16.450 39.686 1.00 0.00 H new ATOM 0 HD1 TYR A 92 16.110 15.088 39.050 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.660 19.318 39.390 1.00 0.00 H new ATOM 0 HE1 TYR A 92 18.523 15.310 39.516 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.072 19.535 39.856 1.00 0.00 H new ATOM 0 HH TYR A 92 20.241 16.725 39.730 1.00 0.00 H new ATOM 1436 N ALA A 93 11.728 15.544 37.283 1.00 0.00 N ATOM 1437 CA ALA A 93 10.301 15.594 36.976 1.00 0.00 C ATOM 1438 C ALA A 93 9.700 14.193 37.013 1.00 0.00 C ATOM 1439 O ALA A 93 10.407 13.213 37.244 1.00 0.00 O ATOM 1440 CB ALA A 93 10.086 16.218 35.600 1.00 0.00 C ATOM 0 H ALA A 93 12.066 14.624 37.565 1.00 0.00 H new ATOM 0 HA ALA A 93 9.803 16.207 37.727 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.019 16.252 35.378 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.490 17.230 35.592 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.595 15.618 34.845 1.00 0.00 H new ATOM 1446 N PRO A 94 8.380 14.081 36.785 1.00 0.00 N ATOM 1447 CA PRO A 94 7.685 12.788 36.795 1.00 0.00 C ATOM 1448 C PRO A 94 7.914 12.004 35.508 1.00 0.00 C ATOM 1449 O PRO A 94 8.229 10.799 35.593 1.00 0.00 O ATOM 1450 CB PRO A 94 6.218 13.161 36.948 1.00 0.00 C ATOM 1451 CG PRO A 94 6.097 14.551 36.408 1.00 0.00 C ATOM 1452 CD PRO A 94 7.461 15.197 36.503 1.00 0.00 C ATOM 0 HA PRO A 94 8.047 12.138 37.592 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.579 12.470 36.398 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.910 13.118 37.993 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.753 14.532 35.374 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.363 15.121 36.977 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.725 15.704 35.575 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.491 15.946 37.295 1.00 0.00 H new