USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 25 GLN : amide:sc= -0.688 K(o=-2.2,f=-2.8) USER MOD Set 1.2: A 37 MET CE :methyl -115:sc= -1.52 (180deg=-3.32!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0668 K(o=-0.067,f=-2.1) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc=-0.00512 (180deg=-0.149) USER MOD Single : A 12 SER OG : rot -80:sc= 1.14 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -1.51! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -44:sc= -0.373 USER MOD Single : A 45 MET CE :methyl -173:sc= 0 (180deg=-0.134) USER MOD Single : A 46 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 48 TYR OH : rot -115:sc= 0.163 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 55 GLN : amide:sc= -0.294 K(o=-0.29,f=-3.4!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc=-0.00999 (180deg=-0.109) USER MOD Single : A 68 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.62) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 76 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 79 ASN : amide:sc= 1.11 K(o=1.1,f=-0.24) USER MOD Single : A 84 LYS NZ :NH3+ -121:sc= -0.412 (180deg=-1.63) USER MOD Single : A 85 TYR OH : rot 150:sc= -0.878 USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.145 (180deg=-0.324) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 3.138 22.280 -7.144 1.00 0.00 N ATOM 63 CA LYS A 5 3.972 21.114 -7.426 1.00 0.00 C ATOM 64 C LYS A 5 4.425 20.436 -6.135 1.00 0.00 C ATOM 65 O LYS A 5 4.712 19.244 -6.117 1.00 0.00 O ATOM 66 CB LYS A 5 5.190 21.525 -8.255 1.00 0.00 C ATOM 67 CG LYS A 5 6.097 20.361 -8.621 1.00 0.00 C ATOM 68 CD LYS A 5 7.223 20.191 -7.615 1.00 0.00 C ATOM 69 CE LYS A 5 8.413 21.076 -7.952 1.00 0.00 C ATOM 70 NZ LYS A 5 9.694 20.319 -7.910 1.00 0.00 N ATOM 0 HA LYS A 5 3.374 20.401 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.850 22.011 -9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.767 22.263 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.511 19.444 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.517 20.524 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.859 20.434 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.539 19.148 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.277 21.506 -8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.459 21.907 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.482 20.956 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.836 19.930 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.660 19.541 -8.599 1.00 0.00 H new ATOM 84 N ALA A 6 4.486 21.209 -5.059 1.00 0.00 N ATOM 85 CA ALA A 6 4.900 20.680 -3.767 1.00 0.00 C ATOM 86 C ALA A 6 3.959 19.568 -3.303 1.00 0.00 C ATOM 87 O ALA A 6 4.398 18.551 -2.762 1.00 0.00 O ATOM 88 CB ALA A 6 4.953 21.795 -2.734 1.00 0.00 C ATOM 0 H ALA A 6 4.255 22.202 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 6 5.897 20.254 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.264 21.386 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.668 22.554 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.966 22.246 -2.634 1.00 0.00 H new ATOM 94 N ASN A 7 2.662 19.765 -3.527 1.00 0.00 N ATOM 95 CA ASN A 7 1.659 18.780 -3.132 1.00 0.00 C ATOM 96 C ASN A 7 1.625 17.601 -4.098 1.00 0.00 C ATOM 97 O ASN A 7 1.613 16.445 -3.676 1.00 0.00 O ATOM 98 CB ASN A 7 0.277 19.430 -3.056 1.00 0.00 C ATOM 99 CG ASN A 7 -0.562 18.872 -1.923 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.689 17.657 -1.769 1.00 0.00 O ATOM 101 ND2 ASN A 7 -1.142 19.759 -1.124 1.00 0.00 N ATOM 0 H ASN A 7 2.282 20.596 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 7 1.935 18.404 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.391 20.506 -2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.246 19.278 -4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.720 19.443 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.010 20.757 -1.289 1.00 0.00 H new ATOM 108 N LYS A 8 1.614 17.893 -5.395 1.00 0.00 N ATOM 109 CA LYS A 8 1.585 16.842 -6.406 1.00 0.00 C ATOM 110 C LYS A 8 2.870 16.025 -6.357 1.00 0.00 C ATOM 111 O LYS A 8 2.860 14.813 -6.574 1.00 0.00 O ATOM 112 CB LYS A 8 1.384 17.441 -7.802 1.00 0.00 C ATOM 113 CG LYS A 8 2.634 18.087 -8.382 1.00 0.00 C ATOM 114 CD LYS A 8 3.468 17.085 -9.163 1.00 0.00 C ATOM 115 CE LYS A 8 4.045 17.705 -10.426 1.00 0.00 C ATOM 116 NZ LYS A 8 2.992 17.977 -11.444 1.00 0.00 N ATOM 0 H LYS A 8 1.625 18.842 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 8 0.744 16.182 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.046 16.656 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.590 18.186 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.349 18.912 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.233 18.511 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.278 16.716 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.853 16.225 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.554 18.635 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.794 17.036 -10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.434 18.088 -12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.321 17.183 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.485 18.850 -11.194 1.00 0.00 H new ATOM 130 N ASP A 9 3.972 16.700 -6.057 1.00 0.00 N ATOM 131 CA ASP A 9 5.268 16.047 -5.962 1.00 0.00 C ATOM 132 C ASP A 9 5.302 15.135 -4.745 1.00 0.00 C ATOM 133 O ASP A 9 5.758 13.995 -4.823 1.00 0.00 O ATOM 134 CB ASP A 9 6.385 17.087 -5.870 1.00 0.00 C ATOM 135 CG ASP A 9 7.763 16.455 -5.822 1.00 0.00 C ATOM 136 OD1 ASP A 9 8.210 16.089 -4.715 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.394 16.326 -6.892 1.00 0.00 O ATOM 0 H ASP A 9 3.992 17.703 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 9 5.424 15.449 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.325 17.757 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.237 17.697 -4.979 1.00 0.00 H new ATOM 142 N LEU A 10 4.808 15.642 -3.620 1.00 0.00 N ATOM 143 CA LEU A 10 4.775 14.863 -2.391 1.00 0.00 C ATOM 144 C LEU A 10 3.921 13.610 -2.572 1.00 0.00 C ATOM 145 O LEU A 10 4.290 12.528 -2.115 1.00 0.00 O ATOM 146 CB LEU A 10 4.231 15.704 -1.233 1.00 0.00 C ATOM 147 CG LEU A 10 4.940 15.498 0.107 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.867 14.040 0.533 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.388 15.956 0.019 1.00 0.00 C ATOM 0 H LEU A 10 4.427 16.584 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 10 5.795 14.561 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.300 16.757 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.173 15.477 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 10 4.432 16.101 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.377 13.914 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.823 13.743 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.348 13.416 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.877 15.802 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.906 15.380 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.420 17.015 -0.239 1.00 0.00 H new ATOM 161 N ILE A 11 2.773 13.762 -3.232 1.00 0.00 N ATOM 162 CA ILE A 11 1.874 12.635 -3.451 1.00 0.00 C ATOM 163 C ILE A 11 2.454 11.635 -4.451 1.00 0.00 C ATOM 164 O ILE A 11 2.512 10.439 -4.165 1.00 0.00 O ATOM 165 CB ILE A 11 0.491 13.107 -3.947 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.127 14.084 -2.946 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.435 11.919 -4.169 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.264 14.900 -3.520 1.00 0.00 C ATOM 0 H ILE A 11 2.448 14.647 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 11 1.757 12.139 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 11 0.624 13.620 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.491 13.526 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.648 14.760 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.405 12.274 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.001 11.254 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.563 11.377 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.653 15.571 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.901 15.486 -4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.058 14.233 -3.855 1.00 0.00 H new ATOM 180 N SER A 12 2.875 12.108 -5.624 1.00 0.00 N ATOM 181 CA SER A 12 3.432 11.221 -6.640 1.00 0.00 C ATOM 182 C SER A 12 4.743 10.604 -6.174 1.00 0.00 C ATOM 183 O SER A 12 4.993 9.424 -6.404 1.00 0.00 O ATOM 184 CB SER A 12 3.650 11.983 -7.947 1.00 0.00 C ATOM 185 OG SER A 12 4.583 13.035 -7.775 1.00 0.00 O ATOM 0 H SER A 12 2.841 13.092 -5.891 1.00 0.00 H new ATOM 0 HA SER A 12 2.717 10.416 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.008 11.298 -8.716 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.701 12.388 -8.298 1.00 0.00 H new ATOM 0 HG SER A 12 4.138 13.802 -7.358 1.00 0.00 H new ATOM 191 N ALA A 13 5.574 11.399 -5.511 1.00 0.00 N ATOM 192 CA ALA A 13 6.848 10.903 -5.010 1.00 0.00 C ATOM 193 C ALA A 13 6.601 9.843 -3.948 1.00 0.00 C ATOM 194 O ALA A 13 7.271 8.810 -3.907 1.00 0.00 O ATOM 195 CB ALA A 13 7.683 12.042 -4.447 1.00 0.00 C ATOM 0 H ALA A 13 5.390 12.382 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 13 7.403 10.456 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.631 11.650 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.874 12.775 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.144 12.518 -3.628 1.00 0.00 H new ATOM 201 N GLY A 14 5.606 10.103 -3.107 1.00 0.00 N ATOM 202 CA GLY A 14 5.250 9.164 -2.069 1.00 0.00 C ATOM 203 C GLY A 14 4.609 7.924 -2.648 1.00 0.00 C ATOM 204 O GLY A 14 4.850 6.813 -2.178 1.00 0.00 O ATOM 0 H GLY A 14 5.040 10.951 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.141 8.886 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.563 9.637 -1.367 1.00 0.00 H new ATOM 208 N LEU A 15 3.798 8.114 -3.687 1.00 0.00 N ATOM 209 CA LEU A 15 3.132 6.998 -4.341 1.00 0.00 C ATOM 210 C LEU A 15 4.140 6.153 -5.109 1.00 0.00 C ATOM 211 O LEU A 15 4.055 4.926 -5.115 1.00 0.00 O ATOM 212 CB LEU A 15 2.045 7.512 -5.290 1.00 0.00 C ATOM 213 CG LEU A 15 0.609 7.338 -4.792 1.00 0.00 C ATOM 214 CD1 LEU A 15 0.178 8.543 -3.970 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.334 7.125 -5.966 1.00 0.00 C ATOM 0 H LEU A 15 3.589 9.027 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 15 2.667 6.376 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.221 8.571 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.146 6.997 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 15 0.568 6.457 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.846 8.400 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.839 8.652 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.232 9.441 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.352 7.003 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.290 7.989 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.037 6.231 -6.514 1.00 0.00 H new ATOM 227 N LYS A 16 5.094 6.814 -5.760 1.00 0.00 N ATOM 228 CA LYS A 16 6.116 6.117 -6.529 1.00 0.00 C ATOM 229 C LYS A 16 6.930 5.207 -5.623 1.00 0.00 C ATOM 230 O LYS A 16 7.060 4.011 -5.885 1.00 0.00 O ATOM 231 CB LYS A 16 7.035 7.127 -7.222 1.00 0.00 C ATOM 232 CG LYS A 16 8.176 6.487 -7.999 1.00 0.00 C ATOM 233 CD LYS A 16 9.470 7.273 -7.845 1.00 0.00 C ATOM 234 CE LYS A 16 10.648 6.358 -7.551 1.00 0.00 C ATOM 235 NZ LYS A 16 11.526 6.181 -8.741 1.00 0.00 N ATOM 0 H LYS A 16 5.179 7.830 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 16 5.626 5.507 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.441 7.737 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.451 7.800 -6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.327 5.465 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.910 6.427 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.665 7.837 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.362 7.999 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.231 6.771 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.279 5.386 -7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.317 5.551 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.976 5.763 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.899 7.105 -9.038 1.00 0.00 H new ATOM 249 N GLU A 17 7.464 5.775 -4.548 1.00 0.00 N ATOM 250 CA GLU A 17 8.251 5.003 -3.598 1.00 0.00 C ATOM 251 C GLU A 17 7.394 3.905 -2.981 1.00 0.00 C ATOM 252 O GLU A 17 7.871 2.801 -2.717 1.00 0.00 O ATOM 253 CB GLU A 17 8.807 5.913 -2.500 1.00 0.00 C ATOM 254 CG GLU A 17 10.173 5.486 -1.987 1.00 0.00 C ATOM 255 CD GLU A 17 10.142 4.135 -1.299 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.603 4.055 -0.174 1.00 0.00 O ATOM 257 OE2 GLU A 17 10.657 3.159 -1.883 1.00 0.00 O ATOM 0 H GLU A 17 7.366 6.763 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 17 9.087 4.546 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.875 6.931 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.105 5.932 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.875 5.449 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.546 6.236 -1.290 1.00 0.00 H new ATOM 264 N PHE A 18 6.126 4.225 -2.753 1.00 0.00 N ATOM 265 CA PHE A 18 5.187 3.279 -2.166 1.00 0.00 C ATOM 266 C PHE A 18 4.859 2.149 -3.135 1.00 0.00 C ATOM 267 O PHE A 18 4.652 1.010 -2.719 1.00 0.00 O ATOM 268 CB PHE A 18 3.905 4.000 -1.749 1.00 0.00 C ATOM 269 CG PHE A 18 3.074 3.235 -0.759 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.407 3.229 0.586 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.958 2.526 -1.172 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.644 2.530 1.501 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.190 1.825 -0.262 1.00 0.00 C ATOM 274 CZ PHE A 18 1.533 1.826 1.076 1.00 0.00 C ATOM 0 H PHE A 18 5.724 5.137 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 18 5.657 2.842 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.166 4.967 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.305 4.198 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.274 3.778 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.685 2.521 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.915 2.534 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.322 1.277 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.934 1.278 1.789 1.00 0.00 H new ATOM 284 N SER A 19 4.810 2.461 -4.426 1.00 0.00 N ATOM 285 CA SER A 19 4.502 1.460 -5.441 1.00 0.00 C ATOM 286 C SER A 19 5.687 0.528 -5.664 1.00 0.00 C ATOM 287 O SER A 19 5.524 -0.688 -5.724 1.00 0.00 O ATOM 288 CB SER A 19 4.119 2.140 -6.758 1.00 0.00 C ATOM 289 OG SER A 19 2.717 2.321 -6.850 1.00 0.00 O ATOM 0 H SER A 19 4.979 3.397 -4.794 1.00 0.00 H new ATOM 0 HA SER A 19 3.659 0.867 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.619 3.106 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.467 1.537 -7.597 1.00 0.00 H new ATOM 0 HG SER A 19 2.499 2.759 -7.699 1.00 0.00 H new ATOM 295 N VAL A 20 6.882 1.103 -5.761 1.00 0.00 N ATOM 296 CA VAL A 20 8.092 0.308 -5.951 1.00 0.00 C ATOM 297 C VAL A 20 8.351 -0.532 -4.708 1.00 0.00 C ATOM 298 O VAL A 20 8.846 -1.655 -4.787 1.00 0.00 O ATOM 299 CB VAL A 20 9.326 1.193 -6.222 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.432 0.378 -6.875 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.958 2.393 -7.083 1.00 0.00 C ATOM 0 H VAL A 20 7.039 2.110 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 20 7.933 -0.330 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 20 9.693 1.568 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.295 1.018 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.721 -0.439 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.074 -0.029 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.846 3.000 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.559 2.048 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.205 2.991 -6.570 1.00 0.00 H new ATOM 311 N LEU A 21 7.988 0.033 -3.564 1.00 0.00 N ATOM 312 CA LEU A 21 8.151 -0.642 -2.285 1.00 0.00 C ATOM 313 C LEU A 21 7.148 -1.786 -2.166 1.00 0.00 C ATOM 314 O LEU A 21 7.493 -2.891 -1.747 1.00 0.00 O ATOM 315 CB LEU A 21 7.975 0.356 -1.131 1.00 0.00 C ATOM 316 CG LEU A 21 7.544 -0.246 0.213 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.360 -1.489 0.537 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.679 0.787 1.322 1.00 0.00 C ATOM 0 H LEU A 21 7.576 0.964 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 21 9.158 -1.057 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.917 0.884 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.236 1.100 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 21 6.497 -0.540 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.036 -1.898 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.213 -2.235 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.416 -1.226 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.370 0.346 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.718 1.110 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.046 1.646 1.098 1.00 0.00 H new ATOM 330 N LEU A 22 5.904 -1.510 -2.542 1.00 0.00 N ATOM 331 CA LEU A 22 4.847 -2.510 -2.481 1.00 0.00 C ATOM 332 C LEU A 22 5.047 -3.588 -3.542 1.00 0.00 C ATOM 333 O LEU A 22 4.763 -4.763 -3.310 1.00 0.00 O ATOM 334 CB LEU A 22 3.481 -1.846 -2.674 1.00 0.00 C ATOM 335 CG LEU A 22 2.919 -1.107 -1.452 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.449 -0.784 -1.659 1.00 0.00 C ATOM 337 CD2 LEU A 22 3.109 -1.925 -0.182 1.00 0.00 C ATOM 0 H LEU A 22 5.604 -0.600 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 22 4.887 -2.981 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.555 -1.139 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.765 -2.611 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 22 3.471 -0.174 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.065 -0.260 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.336 -0.151 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.890 -1.709 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.702 -1.377 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.590 -2.878 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.172 -2.106 -0.021 1.00 0.00 H new ATOM 349 N ASN A 23 5.537 -3.183 -4.708 1.00 0.00 N ATOM 350 CA ASN A 23 5.769 -4.119 -5.802 1.00 0.00 C ATOM 351 C ASN A 23 7.045 -4.927 -5.578 1.00 0.00 C ATOM 352 O ASN A 23 7.312 -5.886 -6.303 1.00 0.00 O ATOM 353 CB ASN A 23 5.852 -3.379 -7.140 1.00 0.00 C ATOM 354 CG ASN A 23 4.565 -3.483 -7.936 1.00 0.00 C ATOM 355 OD1 ASN A 23 4.180 -4.566 -8.376 1.00 0.00 O ATOM 356 ND2 ASN A 23 3.894 -2.353 -8.127 1.00 0.00 N ATOM 0 H ASN A 23 5.781 -2.216 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 23 4.924 -4.808 -5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.080 -2.329 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.674 -3.787 -7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.022 -2.361 -8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.250 -1.477 -7.744 1.00 0.00 H new ATOM 363 N GLN A 24 7.840 -4.534 -4.584 1.00 0.00 N ATOM 364 CA GLN A 24 9.089 -5.230 -4.296 1.00 0.00 C ATOM 365 C GLN A 24 8.866 -6.467 -3.430 1.00 0.00 C ATOM 366 O GLN A 24 9.615 -6.724 -2.489 1.00 0.00 O ATOM 367 CB GLN A 24 10.089 -4.283 -3.624 1.00 0.00 C ATOM 368 CG GLN A 24 11.414 -4.176 -4.362 1.00 0.00 C ATOM 369 CD GLN A 24 12.606 -4.433 -3.460 1.00 0.00 C ATOM 370 OE1 GLN A 24 13.138 -5.542 -3.415 1.00 0.00 O ATOM 371 NE2 GLN A 24 13.030 -3.405 -2.734 1.00 0.00 N ATOM 0 H GLN A 24 7.642 -3.744 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 24 9.501 -5.565 -5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.643 -3.291 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.276 -4.627 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.426 -4.890 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.502 -3.182 -4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.559 -2.503 -2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.827 -3.517 -2.107 1.00 0.00 H new ATOM 380 N GLN A 25 7.857 -7.248 -3.782 1.00 0.00 N ATOM 381 CA GLN A 25 7.561 -8.479 -3.069 1.00 0.00 C ATOM 382 C GLN A 25 7.672 -9.646 -4.036 1.00 0.00 C ATOM 383 O GLN A 25 7.141 -9.595 -5.145 1.00 0.00 O ATOM 384 CB GLN A 25 6.169 -8.431 -2.437 1.00 0.00 C ATOM 385 CG GLN A 25 6.192 -8.501 -0.921 1.00 0.00 C ATOM 386 CD GLN A 25 6.610 -9.866 -0.411 1.00 0.00 C ATOM 387 OE1 GLN A 25 5.773 -10.744 -0.200 1.00 0.00 O ATOM 388 NE2 GLN A 25 7.910 -10.052 -0.211 1.00 0.00 N ATOM 0 H GLN A 25 7.228 -7.050 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 25 8.280 -8.605 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.671 -7.511 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.574 -9.259 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.878 -7.747 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.202 -8.259 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.568 -9.296 -0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.250 -10.951 0.131 1.00 0.00 H new ATOM 397 N VAL A 26 8.390 -10.681 -3.632 1.00 0.00 N ATOM 398 CA VAL A 26 8.600 -11.841 -4.486 1.00 0.00 C ATOM 399 C VAL A 26 7.345 -12.708 -4.634 1.00 0.00 C ATOM 400 O VAL A 26 7.383 -13.910 -4.371 1.00 0.00 O ATOM 401 CB VAL A 26 9.761 -12.706 -3.961 1.00 0.00 C ATOM 402 CG1 VAL A 26 11.069 -11.930 -4.016 1.00 0.00 C ATOM 403 CG2 VAL A 26 9.479 -13.185 -2.544 1.00 0.00 C ATOM 0 H VAL A 26 8.838 -10.743 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 26 8.848 -11.449 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 26 9.853 -13.582 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.879 -12.556 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.279 -11.643 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.987 -11.035 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.312 -13.794 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.357 -12.324 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.566 -13.780 -2.536 1.00 0.00 H new ATOM 413 N PHE A 27 6.221 -12.093 -5.014 1.00 0.00 N ATOM 414 CA PHE A 27 4.967 -12.834 -5.133 1.00 0.00 C ATOM 415 C PHE A 27 5.088 -13.921 -6.187 1.00 0.00 C ATOM 416 O PHE A 27 4.747 -13.727 -7.354 1.00 0.00 O ATOM 417 CB PHE A 27 3.813 -11.915 -5.541 1.00 0.00 C ATOM 418 CG PHE A 27 3.598 -10.716 -4.665 1.00 0.00 C ATOM 419 CD1 PHE A 27 2.835 -10.821 -3.514 1.00 0.00 C ATOM 420 CD2 PHE A 27 4.121 -9.475 -5.010 1.00 0.00 C ATOM 421 CE1 PHE A 27 2.602 -9.719 -2.718 1.00 0.00 C ATOM 422 CE2 PHE A 27 3.883 -8.368 -4.220 1.00 0.00 C ATOM 423 CZ PHE A 27 3.125 -8.490 -3.073 1.00 0.00 C ATOM 0 H PHE A 27 6.155 -11.101 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 27 4.763 -13.270 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.989 -11.571 -6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.894 -12.501 -5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.417 -11.777 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.719 -9.376 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.012 -9.816 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.290 -7.407 -4.499 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.941 -7.625 -2.453 1.00 0.00 H new ATOM 433 N ASN A 28 5.587 -15.070 -5.749 1.00 0.00 N ATOM 434 CA ASN A 28 5.777 -16.219 -6.622 1.00 0.00 C ATOM 435 C ASN A 28 6.397 -17.393 -5.864 1.00 0.00 C ATOM 436 O ASN A 28 6.298 -18.538 -6.302 1.00 0.00 O ATOM 437 CB ASN A 28 6.665 -15.843 -7.810 1.00 0.00 C ATOM 438 CG ASN A 28 6.237 -16.531 -9.092 1.00 0.00 C ATOM 439 OD1 ASN A 28 5.369 -16.041 -9.814 1.00 0.00 O ATOM 440 ND2 ASN A 28 6.847 -17.675 -9.381 1.00 0.00 N ATOM 0 H ASN A 28 5.870 -15.230 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 28 4.797 -16.525 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.637 -14.763 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.698 -16.108 -7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.601 -18.184 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.561 -18.045 -8.754 1.00 0.00 H new ATOM 447 N ASP A 29 7.045 -17.109 -4.731 1.00 0.00 N ATOM 448 CA ASP A 29 7.680 -18.161 -3.943 1.00 0.00 C ATOM 449 C ASP A 29 6.812 -18.608 -2.769 1.00 0.00 C ATOM 450 O ASP A 29 6.745 -17.949 -1.734 1.00 0.00 O ATOM 451 CB ASP A 29 9.059 -17.726 -3.436 1.00 0.00 C ATOM 452 CG ASP A 29 9.118 -16.255 -3.091 1.00 0.00 C ATOM 453 OD1 ASP A 29 9.282 -15.441 -4.018 1.00 0.00 O ATOM 454 OD2 ASP A 29 9.001 -15.918 -1.893 1.00 0.00 O ATOM 0 H ASP A 29 7.142 -16.170 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 29 7.804 -19.012 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.319 -18.312 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.807 -17.947 -4.197 1.00 0.00 H new ATOM 459 N ALA A 30 6.106 -19.704 -2.994 1.00 0.00 N ATOM 460 CA ALA A 30 5.172 -20.218 -1.998 1.00 0.00 C ATOM 461 C ALA A 30 5.909 -20.791 -0.799 1.00 0.00 C ATOM 462 O ALA A 30 6.204 -21.983 -0.715 1.00 0.00 O ATOM 463 CB ALA A 30 4.259 -21.266 -2.592 1.00 0.00 C ATOM 0 H ALA A 30 6.159 -20.254 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 30 4.563 -19.379 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.575 -21.629 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.687 -20.829 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.856 -22.097 -2.969 1.00 0.00 H new ATOM 469 N LEU A 31 6.194 -19.877 0.125 1.00 0.00 N ATOM 470 CA LEU A 31 6.893 -20.171 1.366 1.00 0.00 C ATOM 471 C LEU A 31 6.903 -18.917 2.236 1.00 0.00 C ATOM 472 O LEU A 31 6.919 -17.808 1.709 1.00 0.00 O ATOM 473 CB LEU A 31 8.328 -20.625 1.081 1.00 0.00 C ATOM 474 CG LEU A 31 9.011 -19.916 -0.091 1.00 0.00 C ATOM 475 CD1 LEU A 31 9.060 -18.414 0.148 1.00 0.00 C ATOM 476 CD2 LEU A 31 10.412 -20.469 -0.307 1.00 0.00 C ATOM 0 H LEU A 31 5.939 -18.894 0.027 1.00 0.00 H new ATOM 0 HA LEU A 31 6.379 -20.979 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.927 -20.470 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.321 -21.697 0.883 1.00 0.00 H new ATOM 0 HG LEU A 31 8.426 -20.101 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.549 -17.927 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.046 -18.029 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.621 -18.209 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.882 -19.953 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.007 -20.316 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.353 -21.535 -0.525 1.00 0.00 H new ATOM 488 N VAL A 32 6.878 -19.096 3.558 1.00 0.00 N ATOM 489 CA VAL A 32 6.875 -17.978 4.519 1.00 0.00 C ATOM 490 C VAL A 32 5.468 -17.708 5.049 1.00 0.00 C ATOM 491 O VAL A 32 4.489 -18.268 4.556 1.00 0.00 O ATOM 492 CB VAL A 32 7.476 -16.665 3.945 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.408 -15.794 3.293 1.00 0.00 C ATOM 494 CG2 VAL A 32 8.196 -15.891 5.039 1.00 0.00 C ATOM 0 H VAL A 32 6.859 -20.016 3.998 1.00 0.00 H new ATOM 0 HA VAL A 32 7.521 -18.297 5.337 1.00 0.00 H new ATOM 0 HB VAL A 32 8.194 -16.940 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.867 -14.885 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.940 -16.343 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.652 -15.530 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.612 -14.974 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.491 -15.642 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.001 -16.502 5.447 1.00 0.00 H new ATOM 504 N SER A 33 5.377 -16.849 6.061 1.00 0.00 N ATOM 505 CA SER A 33 4.093 -16.505 6.666 1.00 0.00 C ATOM 506 C SER A 33 3.466 -15.292 5.983 1.00 0.00 C ATOM 507 O SER A 33 4.159 -14.336 5.633 1.00 0.00 O ATOM 508 CB SER A 33 4.269 -16.228 8.159 1.00 0.00 C ATOM 509 OG SER A 33 3.211 -16.796 8.912 1.00 0.00 O ATOM 0 H SER A 33 6.179 -16.378 6.480 1.00 0.00 H new ATOM 0 HA SER A 33 3.423 -17.355 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.221 -16.637 8.498 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.305 -15.152 8.331 1.00 0.00 H new ATOM 0 HG SER A 33 3.348 -16.606 9.864 1.00 0.00 H new ATOM 515 N GLU A 34 2.151 -15.340 5.801 1.00 0.00 N ATOM 516 CA GLU A 34 1.420 -14.248 5.163 1.00 0.00 C ATOM 517 C GLU A 34 1.275 -13.058 6.102 1.00 0.00 C ATOM 518 O GLU A 34 1.395 -11.905 5.686 1.00 0.00 O ATOM 519 CB GLU A 34 0.039 -14.726 4.719 1.00 0.00 C ATOM 520 CG GLU A 34 -0.857 -15.147 5.873 1.00 0.00 C ATOM 521 CD GLU A 34 -1.617 -13.983 6.479 1.00 0.00 C ATOM 522 OE1 GLU A 34 -2.304 -13.265 5.723 1.00 0.00 O ATOM 523 OE2 GLU A 34 -1.526 -13.790 7.709 1.00 0.00 O ATOM 0 H GLU A 34 1.567 -16.126 6.087 1.00 0.00 H new ATOM 0 HA GLU A 34 1.991 -13.929 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.451 -13.928 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.157 -15.567 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.567 -15.896 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.250 -15.621 6.645 1.00 0.00 H new ATOM 530 N GLU A 35 1.005 -13.345 7.369 1.00 0.00 N ATOM 531 CA GLU A 35 0.831 -12.302 8.373 1.00 0.00 C ATOM 532 C GLU A 35 2.029 -11.358 8.402 1.00 0.00 C ATOM 533 O GLU A 35 1.874 -10.155 8.607 1.00 0.00 O ATOM 534 CB GLU A 35 0.623 -12.926 9.754 1.00 0.00 C ATOM 535 CG GLU A 35 0.155 -11.933 10.807 1.00 0.00 C ATOM 536 CD GLU A 35 -1.329 -12.051 11.098 1.00 0.00 C ATOM 537 OE1 GLU A 35 -1.773 -13.156 11.475 1.00 0.00 O ATOM 538 OE2 GLU A 35 -2.045 -11.039 10.949 1.00 0.00 O ATOM 0 H GLU A 35 0.901 -14.294 7.727 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.052 -11.722 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.109 -13.730 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.558 -13.378 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.716 -12.093 11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.377 -10.920 10.471 1.00 0.00 H new ATOM 545 N ASP A 36 3.221 -11.907 8.194 1.00 0.00 N ATOM 546 CA ASP A 36 4.438 -11.102 8.196 1.00 0.00 C ATOM 547 C ASP A 36 4.354 -10.007 7.141 1.00 0.00 C ATOM 548 O ASP A 36 4.473 -8.818 7.451 1.00 0.00 O ATOM 549 CB ASP A 36 5.666 -11.984 7.950 1.00 0.00 C ATOM 550 CG ASP A 36 6.407 -12.312 9.231 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.956 -13.219 9.962 1.00 0.00 O ATOM 552 OD2 ASP A 36 7.438 -11.661 9.503 1.00 0.00 O ATOM 0 H ASP A 36 3.371 -12.901 8.023 1.00 0.00 H new ATOM 0 HA ASP A 36 4.538 -10.634 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.354 -12.910 7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.342 -11.477 7.262 1.00 0.00 H new ATOM 557 N MET A 37 4.122 -10.407 5.896 1.00 0.00 N ATOM 558 CA MET A 37 3.996 -9.443 4.814 1.00 0.00 C ATOM 559 C MET A 37 2.873 -8.472 5.137 1.00 0.00 C ATOM 560 O MET A 37 2.992 -7.266 4.923 1.00 0.00 O ATOM 561 CB MET A 37 3.714 -10.150 3.486 1.00 0.00 C ATOM 562 CG MET A 37 4.491 -9.582 2.306 1.00 0.00 C ATOM 563 SD MET A 37 4.601 -7.781 2.334 1.00 0.00 S ATOM 564 CE MET A 37 6.367 -7.552 2.149 1.00 0.00 C ATOM 0 H MET A 37 4.019 -11.382 5.614 1.00 0.00 H new ATOM 0 HA MET A 37 4.935 -8.898 4.714 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.954 -11.208 3.591 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.647 -10.085 3.271 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.497 -10.002 2.305 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.013 -9.897 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.771 -7.095 3.052 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.844 -8.518 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.562 -6.903 1.296 1.00 0.00 H new ATOM 574 N VAL A 38 1.765 -9.023 5.623 1.00 0.00 N ATOM 575 CA VAL A 38 0.597 -8.220 5.939 1.00 0.00 C ATOM 576 C VAL A 38 0.941 -7.109 6.926 1.00 0.00 C ATOM 577 O VAL A 38 0.533 -5.964 6.725 1.00 0.00 O ATOM 578 CB VAL A 38 -0.525 -9.097 6.532 1.00 0.00 C ATOM 579 CG1 VAL A 38 -1.744 -8.261 6.892 1.00 0.00 C ATOM 580 CG2 VAL A 38 -0.901 -10.211 5.566 1.00 0.00 C ATOM 0 H VAL A 38 1.655 -10.021 5.805 1.00 0.00 H new ATOM 0 HA VAL A 38 0.251 -7.770 5.008 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.149 -9.549 7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.518 -8.906 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.464 -7.509 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.124 -7.768 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.694 -10.819 6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.250 -9.777 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.029 -10.836 5.374 1.00 0.00 H new ATOM 590 N THR A 39 1.688 -7.416 7.988 1.00 0.00 N ATOM 591 CA THR A 39 2.048 -6.387 8.954 1.00 0.00 C ATOM 592 C THR A 39 2.960 -5.351 8.310 1.00 0.00 C ATOM 593 O THR A 39 2.876 -4.161 8.614 1.00 0.00 O ATOM 594 CB THR A 39 2.739 -7.005 10.175 1.00 0.00 C ATOM 595 OG1 THR A 39 2.756 -8.418 10.086 1.00 0.00 O ATOM 596 CG2 THR A 39 2.076 -6.637 11.485 1.00 0.00 C ATOM 0 H THR A 39 2.047 -8.348 8.195 1.00 0.00 H new ATOM 0 HA THR A 39 1.132 -5.897 9.285 1.00 0.00 H new ATOM 0 HB THR A 39 3.751 -6.599 10.168 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.879 -8.738 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.613 -7.106 12.309 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.093 -5.554 11.610 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.043 -6.985 11.480 1.00 0.00 H new ATOM 604 N VAL A 40 3.828 -5.811 7.415 1.00 0.00 N ATOM 605 CA VAL A 40 4.751 -4.921 6.725 1.00 0.00 C ATOM 606 C VAL A 40 4.001 -3.843 5.946 1.00 0.00 C ATOM 607 O VAL A 40 4.326 -2.659 6.040 1.00 0.00 O ATOM 608 CB VAL A 40 5.666 -5.698 5.759 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.731 -4.780 5.180 1.00 0.00 C ATOM 610 CG2 VAL A 40 6.302 -6.889 6.465 1.00 0.00 C ATOM 0 H VAL A 40 3.911 -6.793 7.152 1.00 0.00 H new ATOM 0 HA VAL A 40 5.365 -4.448 7.491 1.00 0.00 H new ATOM 0 HB VAL A 40 5.059 -6.076 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.368 -5.345 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.253 -3.965 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.337 -4.370 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.945 -7.425 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.896 -6.537 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.521 -7.558 6.826 1.00 0.00 H new ATOM 620 N VAL A 41 2.995 -4.256 5.181 1.00 0.00 N ATOM 621 CA VAL A 41 2.202 -3.319 4.392 1.00 0.00 C ATOM 622 C VAL A 41 1.403 -2.383 5.295 1.00 0.00 C ATOM 623 O VAL A 41 1.320 -1.182 5.040 1.00 0.00 O ATOM 624 CB VAL A 41 1.228 -4.054 3.444 1.00 0.00 C ATOM 625 CG1 VAL A 41 0.448 -3.060 2.593 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.977 -5.042 2.562 1.00 0.00 C ATOM 0 H VAL A 41 2.710 -5.231 5.091 1.00 0.00 H new ATOM 0 HA VAL A 41 2.905 -2.738 3.795 1.00 0.00 H new ATOM 0 HB VAL A 41 0.518 -4.611 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.231 -3.600 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.126 -2.398 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.142 -2.470 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.272 -5.548 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.715 -4.508 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.481 -5.778 3.188 1.00 0.00 H new ATOM 636 N GLU A 42 0.816 -2.941 6.349 1.00 0.00 N ATOM 637 CA GLU A 42 0.023 -2.154 7.287 1.00 0.00 C ATOM 638 C GLU A 42 0.890 -1.120 7.999 1.00 0.00 C ATOM 639 O GLU A 42 0.491 0.033 8.165 1.00 0.00 O ATOM 640 CB GLU A 42 -0.647 -3.069 8.314 1.00 0.00 C ATOM 641 CG GLU A 42 -2.039 -3.524 7.907 1.00 0.00 C ATOM 642 CD GLU A 42 -2.994 -3.599 9.082 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.210 -2.559 9.739 1.00 0.00 O ATOM 644 OE2 GLU A 42 -3.527 -4.698 9.345 1.00 0.00 O ATOM 0 H GLU A 42 0.874 -3.934 6.575 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.747 -1.629 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.019 -3.946 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.709 -2.546 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.439 -2.836 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.973 -4.504 7.434 1.00 0.00 H new ATOM 651 N ASP A 43 2.081 -1.541 8.413 1.00 0.00 N ATOM 652 CA ASP A 43 3.008 -0.650 9.101 1.00 0.00 C ATOM 653 C ASP A 43 3.440 0.488 8.185 1.00 0.00 C ATOM 654 O ASP A 43 3.438 1.654 8.582 1.00 0.00 O ATOM 655 CB ASP A 43 4.234 -1.429 9.583 1.00 0.00 C ATOM 656 CG ASP A 43 4.817 -0.856 10.860 1.00 0.00 C ATOM 657 OD1 ASP A 43 4.148 -0.945 11.911 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.942 -0.317 10.809 1.00 0.00 O ATOM 0 H ASP A 43 2.426 -2.492 8.284 1.00 0.00 H new ATOM 0 HA ASP A 43 2.497 -0.225 9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.958 -2.470 9.748 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.996 -1.421 8.803 1.00 0.00 H new ATOM 663 N TRP A 44 3.817 0.140 6.959 1.00 0.00 N ATOM 664 CA TRP A 44 4.258 1.134 5.989 1.00 0.00 C ATOM 665 C TRP A 44 3.165 2.166 5.734 1.00 0.00 C ATOM 666 O TRP A 44 3.416 3.371 5.762 1.00 0.00 O ATOM 667 CB TRP A 44 4.640 0.455 4.672 1.00 0.00 C ATOM 668 CG TRP A 44 5.964 -0.245 4.720 1.00 0.00 C ATOM 669 CD1 TRP A 44 7.021 0.054 5.529 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.372 -1.360 3.919 1.00 0.00 C ATOM 671 NE1 TRP A 44 8.062 -0.808 5.282 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.689 -1.685 4.297 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.752 -2.115 2.920 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.395 -2.732 3.710 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.453 -3.154 2.339 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.763 -3.455 2.734 1.00 0.00 C ATOM 0 H TRP A 44 3.826 -0.820 6.615 1.00 0.00 H new ATOM 0 HA TRP A 44 5.130 1.643 6.399 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.867 -0.266 4.407 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.663 1.204 3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.037 0.852 6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.966 -0.797 5.755 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.743 -1.890 2.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.405 -2.965 4.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.983 -3.745 1.567 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.284 -4.273 2.259 1.00 0.00 H new ATOM 687 N MET A 45 1.952 1.687 5.476 1.00 0.00 N ATOM 688 CA MET A 45 0.823 2.571 5.204 1.00 0.00 C ATOM 689 C MET A 45 0.595 3.552 6.345 1.00 0.00 C ATOM 690 O MET A 45 0.455 4.753 6.119 1.00 0.00 O ATOM 691 CB MET A 45 -0.446 1.753 4.954 1.00 0.00 C ATOM 692 CG MET A 45 -1.672 2.604 4.660 1.00 0.00 C ATOM 693 SD MET A 45 -3.216 1.706 4.908 1.00 0.00 S ATOM 694 CE MET A 45 -3.018 0.365 3.736 1.00 0.00 C ATOM 0 H MET A 45 1.725 0.693 5.449 1.00 0.00 H new ATOM 0 HA MET A 45 1.061 3.145 4.309 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.274 1.078 4.116 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.646 1.132 5.827 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.661 3.484 5.302 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.624 2.960 3.631 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.943 -0.209 3.680 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.784 0.773 2.753 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.207 -0.286 4.062 1.00 0.00 H new ATOM 704 N ASN A 46 0.559 3.042 7.567 1.00 0.00 N ATOM 705 CA ASN A 46 0.349 3.892 8.732 1.00 0.00 C ATOM 706 C ASN A 46 1.515 4.857 8.902 1.00 0.00 C ATOM 707 O ASN A 46 1.323 6.033 9.207 1.00 0.00 O ATOM 708 CB ASN A 46 0.184 3.040 9.993 1.00 0.00 C ATOM 709 CG ASN A 46 -1.226 2.507 10.149 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.132 3.226 10.567 1.00 0.00 O ATOM 711 ND2 ASN A 46 -1.417 1.236 9.811 1.00 0.00 N ATOM 0 H ASN A 46 0.672 2.050 7.778 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.563 4.468 8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.884 2.205 9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.443 3.636 10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.345 0.820 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.636 0.676 9.469 1.00 0.00 H new ATOM 718 N PHE A 47 2.724 4.351 8.697 1.00 0.00 N ATOM 719 CA PHE A 47 3.921 5.169 8.821 1.00 0.00 C ATOM 720 C PHE A 47 3.902 6.300 7.800 1.00 0.00 C ATOM 721 O PHE A 47 4.270 7.434 8.107 1.00 0.00 O ATOM 722 CB PHE A 47 5.173 4.308 8.630 1.00 0.00 C ATOM 723 CG PHE A 47 6.458 5.085 8.709 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.917 5.802 7.616 1.00 0.00 C ATOM 725 CD2 PHE A 47 7.204 5.095 9.876 1.00 0.00 C ATOM 726 CE1 PHE A 47 8.098 6.516 7.686 1.00 0.00 C ATOM 727 CE2 PHE A 47 8.387 5.807 9.951 1.00 0.00 C ATOM 728 CZ PHE A 47 8.835 6.519 8.854 1.00 0.00 C ATOM 0 H PHE A 47 2.901 3.379 8.444 1.00 0.00 H new ATOM 0 HA PHE A 47 3.941 5.603 9.821 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.184 3.526 9.389 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.118 3.812 7.661 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.346 5.803 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.858 4.541 10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.445 7.072 6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.961 5.807 10.866 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.759 7.076 8.910 1.00 0.00 H new ATOM 738 N TYR A 48 3.468 5.983 6.586 1.00 0.00 N ATOM 739 CA TYR A 48 3.401 6.975 5.521 1.00 0.00 C ATOM 740 C TYR A 48 2.260 7.957 5.754 1.00 0.00 C ATOM 741 O TYR A 48 2.444 9.170 5.653 1.00 0.00 O ATOM 742 CB TYR A 48 3.231 6.285 4.166 1.00 0.00 C ATOM 743 CG TYR A 48 4.541 5.966 3.481 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.436 6.974 3.149 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.881 4.655 3.167 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.634 6.686 2.524 1.00 0.00 C ATOM 747 CE2 TYR A 48 6.077 4.360 2.541 1.00 0.00 C ATOM 748 CZ TYR A 48 6.950 5.378 2.222 1.00 0.00 C ATOM 749 OH TYR A 48 8.142 5.088 1.599 1.00 0.00 O ATOM 0 H TYR A 48 3.158 5.050 6.315 1.00 0.00 H new ATOM 0 HA TYR A 48 4.336 7.535 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.669 5.361 4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.636 6.924 3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.192 8.000 3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.200 3.855 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.320 7.482 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.327 3.337 2.303 1.00 0.00 H new ATOM 0 HH TYR A 48 7.965 4.721 0.708 1.00 0.00 H new ATOM 759 N ILE A 49 1.079 7.431 6.064 1.00 0.00 N ATOM 760 CA ILE A 49 -0.086 8.272 6.305 1.00 0.00 C ATOM 761 C ILE A 49 0.173 9.249 7.449 1.00 0.00 C ATOM 762 O ILE A 49 -0.080 10.447 7.323 1.00 0.00 O ATOM 763 CB ILE A 49 -1.351 7.422 6.593 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.599 8.150 6.093 1.00 0.00 C ATOM 765 CG2 ILE A 49 -1.489 7.078 8.073 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.685 8.237 4.586 1.00 0.00 C ATOM 0 H ILE A 49 0.905 6.430 6.154 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.268 8.845 5.396 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.244 6.481 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.484 7.638 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.613 9.158 6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.389 6.482 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.618 6.509 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.559 7.997 8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.595 8.766 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.818 8.776 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.703 7.232 4.164 1.00 0.00 H new ATOM 778 N ASN A 50 0.674 8.730 8.564 1.00 0.00 N ATOM 779 CA ASN A 50 0.961 9.555 9.730 1.00 0.00 C ATOM 780 C ASN A 50 2.039 10.593 9.426 1.00 0.00 C ATOM 781 O ASN A 50 1.898 11.765 9.773 1.00 0.00 O ATOM 782 CB ASN A 50 1.402 8.677 10.902 1.00 0.00 C ATOM 783 CG ASN A 50 0.822 9.143 12.223 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.396 9.154 12.410 1.00 0.00 O ATOM 785 ND2 ASN A 50 1.692 9.533 13.147 1.00 0.00 N ATOM 0 H ASN A 50 0.890 7.740 8.685 1.00 0.00 H new ATOM 0 HA ASN A 50 0.046 10.084 9.997 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.096 7.647 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.490 8.679 10.965 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.360 9.858 14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.692 9.507 12.949 1.00 0.00 H new ATOM 792 N TYR A 51 3.117 10.155 8.781 1.00 0.00 N ATOM 793 CA TYR A 51 4.217 11.051 8.440 1.00 0.00 C ATOM 794 C TYR A 51 3.791 12.076 7.394 1.00 0.00 C ATOM 795 O TYR A 51 4.331 13.179 7.338 1.00 0.00 O ATOM 796 CB TYR A 51 5.413 10.252 7.918 1.00 0.00 C ATOM 797 CG TYR A 51 6.747 10.903 8.200 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.373 10.746 9.430 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.380 11.677 7.236 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.593 11.342 9.691 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.600 12.275 7.488 1.00 0.00 C ATOM 802 CZ TYR A 51 9.202 12.105 8.718 1.00 0.00 C ATOM 803 OH TYR A 51 10.417 12.700 8.974 1.00 0.00 O ATOM 0 H TYR A 51 3.252 9.188 8.485 1.00 0.00 H new ATOM 0 HA TYR A 51 4.505 11.582 9.347 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.400 9.260 8.369 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.306 10.115 6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.899 10.149 10.195 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.911 11.814 6.273 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.067 11.210 10.653 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.080 12.872 6.727 1.00 0.00 H new ATOM 0 HH TYR A 51 10.709 13.201 8.184 1.00 0.00 H new ATOM 813 N TYR A 52 2.828 11.703 6.559 1.00 0.00 N ATOM 814 CA TYR A 52 2.345 12.591 5.510 1.00 0.00 C ATOM 815 C TYR A 52 1.301 13.570 6.040 1.00 0.00 C ATOM 816 O TYR A 52 1.280 14.736 5.647 1.00 0.00 O ATOM 817 CB TYR A 52 1.765 11.780 4.352 1.00 0.00 C ATOM 818 CG TYR A 52 2.806 11.328 3.352 1.00 0.00 C ATOM 819 CD1 TYR A 52 4.041 10.850 3.774 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.555 11.378 1.987 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.996 10.437 2.865 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.504 10.966 1.071 1.00 0.00 C ATOM 823 CZ TYR A 52 4.722 10.495 1.516 1.00 0.00 C ATOM 824 OH TYR A 52 5.670 10.084 0.606 1.00 0.00 O ATOM 0 H TYR A 52 2.367 10.793 6.588 1.00 0.00 H new ATOM 0 HA TYR A 52 3.195 13.170 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.253 10.905 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.015 12.381 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.258 10.801 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.602 11.745 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.952 10.071 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.293 11.012 0.013 1.00 0.00 H new ATOM 0 HH TYR A 52 6.225 9.382 1.006 1.00 0.00 H new ATOM 834 N ARG A 53 0.430 13.094 6.927 1.00 0.00 N ATOM 835 CA ARG A 53 -0.613 13.946 7.491 1.00 0.00 C ATOM 836 C ARG A 53 -0.006 15.173 8.166 1.00 0.00 C ATOM 837 O ARG A 53 -0.580 16.261 8.123 1.00 0.00 O ATOM 838 CB ARG A 53 -1.488 13.159 8.476 1.00 0.00 C ATOM 839 CG ARG A 53 -0.809 12.827 9.797 1.00 0.00 C ATOM 840 CD ARG A 53 -1.586 13.380 10.980 1.00 0.00 C ATOM 841 NE ARG A 53 -2.372 12.346 11.648 1.00 0.00 N ATOM 842 CZ ARG A 53 -3.408 12.600 12.444 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.785 13.851 12.677 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.069 11.599 13.011 1.00 0.00 N ATOM 0 H ARG A 53 0.425 12.133 7.268 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.248 14.289 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.391 13.735 8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.803 12.230 8.000 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.715 11.746 9.896 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.201 13.237 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.893 13.826 11.693 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.248 14.176 10.639 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.112 11.372 11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.280 14.625 12.245 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.580 14.039 13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.783 10.636 12.837 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.863 11.793 13.621 1.00 0.00 H new ATOM 858 N GLN A 54 1.156 14.994 8.787 1.00 0.00 N ATOM 859 CA GLN A 54 1.835 16.091 9.463 1.00 0.00 C ATOM 860 C GLN A 54 2.593 16.951 8.457 1.00 0.00 C ATOM 861 O GLN A 54 2.726 18.162 8.633 1.00 0.00 O ATOM 862 CB GLN A 54 2.800 15.546 10.518 1.00 0.00 C ATOM 863 CG GLN A 54 3.042 16.503 11.673 1.00 0.00 C ATOM 864 CD GLN A 54 2.109 16.253 12.842 1.00 0.00 C ATOM 865 OE1 GLN A 54 0.924 16.582 12.787 1.00 0.00 O ATOM 866 NE2 GLN A 54 2.640 15.666 13.908 1.00 0.00 N ATOM 0 H GLN A 54 1.645 14.100 8.835 1.00 0.00 H new ATOM 0 HA GLN A 54 1.085 16.710 9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.405 14.609 10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.753 15.316 10.042 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.074 16.407 12.010 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.915 17.528 11.324 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.627 15.410 13.910 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.061 15.471 14.724 1.00 0.00 H new ATOM 875 N GLN A 55 3.091 16.310 7.405 1.00 0.00 N ATOM 876 CA GLN A 55 3.846 17.004 6.364 1.00 0.00 C ATOM 877 C GLN A 55 2.935 17.870 5.490 1.00 0.00 C ATOM 878 O GLN A 55 3.000 17.812 4.262 1.00 0.00 O ATOM 879 CB GLN A 55 4.594 15.991 5.494 1.00 0.00 C ATOM 880 CG GLN A 55 5.760 15.322 6.204 1.00 0.00 C ATOM 881 CD GLN A 55 6.994 16.201 6.255 1.00 0.00 C ATOM 882 OE1 GLN A 55 6.927 17.360 6.662 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.131 15.653 5.841 1.00 0.00 N ATOM 0 H GLN A 55 2.986 15.308 7.249 1.00 0.00 H new ATOM 0 HA GLN A 55 4.563 17.661 6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.894 15.224 5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.964 16.495 4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.461 15.062 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.004 14.389 5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.142 14.688 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.994 16.197 5.853 1.00 0.00 H new ATOM 892 N VAL A 56 2.084 18.671 6.130 1.00 0.00 N ATOM 893 CA VAL A 56 1.162 19.543 5.410 1.00 0.00 C ATOM 894 C VAL A 56 0.898 20.829 6.186 1.00 0.00 C ATOM 895 O VAL A 56 -0.027 20.897 6.996 1.00 0.00 O ATOM 896 CB VAL A 56 -0.185 18.844 5.139 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.956 19.570 4.047 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.027 17.383 4.769 1.00 0.00 C ATOM 0 H VAL A 56 2.015 18.733 7.146 1.00 0.00 H new ATOM 0 HA VAL A 56 1.639 19.782 4.460 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.775 18.878 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.904 19.061 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.148 20.597 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.370 19.573 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.938 16.911 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.641 17.321 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.530 16.869 5.589 1.00 0.00 H new ATOM 908 N THR A 57 1.718 21.846 5.941 1.00 0.00 N ATOM 909 CA THR A 57 1.571 23.127 6.626 1.00 0.00 C ATOM 910 C THR A 57 0.709 24.099 5.820 1.00 0.00 C ATOM 911 O THR A 57 0.833 25.315 5.966 1.00 0.00 O ATOM 912 CB THR A 57 2.943 23.748 6.891 1.00 0.00 C ATOM 913 OG1 THR A 57 3.646 23.949 5.678 1.00 0.00 O ATOM 914 CG2 THR A 57 3.816 22.905 7.795 1.00 0.00 C ATOM 0 H THR A 57 2.490 21.809 5.275 1.00 0.00 H new ATOM 0 HA THR A 57 1.070 22.937 7.575 1.00 0.00 H new ATOM 0 HB THR A 57 2.740 24.696 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.520 24.349 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.775 23.403 7.942 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.323 22.774 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.980 21.930 7.336 1.00 0.00 H new ATOM 922 N GLY A 58 -0.167 23.560 4.977 1.00 0.00 N ATOM 923 CA GLY A 58 -1.035 24.402 4.174 1.00 0.00 C ATOM 924 C GLY A 58 -2.420 24.538 4.778 1.00 0.00 C ATOM 925 O GLY A 58 -2.671 24.052 5.880 1.00 0.00 O ATOM 0 H GLY A 58 -0.291 22.557 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.586 25.390 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.117 23.984 3.171 1.00 0.00 H new ATOM 929 N GLU A 59 -3.324 25.199 4.058 1.00 0.00 N ATOM 930 CA GLU A 59 -4.688 25.392 4.540 1.00 0.00 C ATOM 931 C GLU A 59 -5.346 24.051 4.864 1.00 0.00 C ATOM 932 O GLU A 59 -4.828 22.995 4.504 1.00 0.00 O ATOM 933 CB GLU A 59 -5.516 26.147 3.496 1.00 0.00 C ATOM 934 CG GLU A 59 -5.825 27.582 3.887 1.00 0.00 C ATOM 935 CD GLU A 59 -4.714 28.543 3.511 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.635 28.922 2.323 1.00 0.00 O ATOM 937 OE2 GLU A 59 -3.924 28.917 4.403 1.00 0.00 O ATOM 0 H GLU A 59 -3.137 25.608 3.143 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.646 25.983 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.979 26.145 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.453 25.614 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.750 27.895 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.995 27.633 4.962 1.00 0.00 H new ATOM 944 N PRO A 60 -6.500 24.074 5.555 1.00 0.00 N ATOM 945 CA PRO A 60 -7.220 22.852 5.926 1.00 0.00 C ATOM 946 C PRO A 60 -7.742 22.096 4.716 1.00 0.00 C ATOM 947 O PRO A 60 -7.842 20.868 4.740 1.00 0.00 O ATOM 948 CB PRO A 60 -8.379 23.358 6.789 1.00 0.00 C ATOM 949 CG PRO A 60 -8.560 24.783 6.390 1.00 0.00 C ATOM 950 CD PRO A 60 -7.191 25.287 6.029 1.00 0.00 C ATOM 0 HA PRO A 60 -6.572 22.144 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.286 22.780 6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.148 23.271 7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.243 24.868 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.988 25.366 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.235 26.054 5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.685 25.729 6.887 1.00 0.00 H new ATOM 958 N GLN A 61 -8.057 22.820 3.649 1.00 0.00 N ATOM 959 CA GLN A 61 -8.545 22.189 2.433 1.00 0.00 C ATOM 960 C GLN A 61 -7.402 21.450 1.752 1.00 0.00 C ATOM 961 O GLN A 61 -7.541 20.295 1.355 1.00 0.00 O ATOM 962 CB GLN A 61 -9.137 23.237 1.488 1.00 0.00 C ATOM 963 CG GLN A 61 -9.657 22.656 0.182 1.00 0.00 C ATOM 964 CD GLN A 61 -10.129 23.726 -0.783 1.00 0.00 C ATOM 965 OE1 GLN A 61 -9.322 24.447 -1.371 1.00 0.00 O ATOM 966 NE2 GLN A 61 -11.441 23.833 -0.952 1.00 0.00 N ATOM 0 H GLN A 61 -7.984 23.836 3.602 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.330 21.478 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.952 23.753 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.376 23.985 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.869 22.068 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.480 21.974 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.073 23.214 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.818 24.534 -1.590 1.00 0.00 H new ATOM 975 N GLU A 62 -6.269 22.132 1.626 1.00 0.00 N ATOM 976 CA GLU A 62 -5.090 21.550 1.001 1.00 0.00 C ATOM 977 C GLU A 62 -4.642 20.297 1.744 1.00 0.00 C ATOM 978 O GLU A 62 -4.251 19.306 1.126 1.00 0.00 O ATOM 979 CB GLU A 62 -3.952 22.572 0.959 1.00 0.00 C ATOM 980 CG GLU A 62 -3.245 22.639 -0.383 1.00 0.00 C ATOM 981 CD GLU A 62 -3.706 23.812 -1.227 1.00 0.00 C ATOM 982 OE1 GLU A 62 -3.529 24.967 -0.786 1.00 0.00 O ATOM 983 OE2 GLU A 62 -4.246 23.574 -2.329 1.00 0.00 O ATOM 0 H GLU A 62 -6.143 23.091 1.950 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.351 21.268 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.351 23.557 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.224 22.325 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.170 22.714 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.421 21.712 -0.929 1.00 0.00 H new ATOM 990 N ARG A 63 -4.701 20.341 3.072 1.00 0.00 N ATOM 991 CA ARG A 63 -4.299 19.199 3.884 1.00 0.00 C ATOM 992 C ARG A 63 -5.355 18.097 3.825 1.00 0.00 C ATOM 993 O ARG A 63 -5.042 16.941 3.540 1.00 0.00 O ATOM 994 CB ARG A 63 -4.027 19.628 5.335 1.00 0.00 C ATOM 995 CG ARG A 63 -5.260 19.683 6.225 1.00 0.00 C ATOM 996 CD ARG A 63 -4.890 19.975 7.671 1.00 0.00 C ATOM 997 NE ARG A 63 -3.892 21.036 7.780 1.00 0.00 N ATOM 998 CZ ARG A 63 -3.111 21.211 8.843 1.00 0.00 C ATOM 999 NH1 ARG A 63 -3.215 20.405 9.893 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -2.222 22.194 8.857 1.00 0.00 N ATOM 0 H ARG A 63 -5.021 21.150 3.605 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.371 18.799 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.309 18.936 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.558 20.612 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.940 20.453 5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.793 18.734 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.785 20.262 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.506 19.067 8.137 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.788 21.680 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.897 19.646 9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.613 20.545 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.137 22.816 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.623 22.328 9.672 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.605 18.459 4.101 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.700 17.495 4.082 1.00 0.00 C ATOM 1016 C ASP A 64 -7.810 16.823 2.718 1.00 0.00 C ATOM 1017 O ASP A 64 -8.020 15.612 2.624 1.00 0.00 O ATOM 1018 CB ASP A 64 -9.020 18.183 4.429 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.201 18.371 5.922 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -8.357 19.054 6.541 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.187 17.838 6.472 1.00 0.00 O ATOM 0 H ASP A 64 -6.884 19.411 4.340 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.489 16.730 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.060 19.154 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.848 17.592 4.037 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.669 17.616 1.666 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.754 17.105 0.302 1.00 0.00 C ATOM 1028 C LYS A 65 -6.542 16.245 -0.035 1.00 0.00 C ATOM 1029 O LYS A 65 -6.668 15.206 -0.680 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.865 18.262 -0.693 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.475 17.861 -2.026 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.922 18.314 -2.138 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.252 18.779 -3.547 1.00 0.00 C ATOM 1034 NZ LYS A 65 -9.610 20.084 -3.866 1.00 0.00 N ATOM 0 H LYS A 65 -7.495 18.619 1.729 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.647 16.485 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.469 19.054 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.872 18.677 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.893 18.296 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.422 16.778 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.584 17.494 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.106 19.125 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.922 18.027 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.333 18.870 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.062 20.497 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.721 20.732 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.598 19.936 -4.054 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.370 16.688 0.409 1.00 0.00 N ATOM 1049 CA ALA A 66 -4.132 15.960 0.158 1.00 0.00 C ATOM 1050 C ALA A 66 -4.126 14.624 0.889 1.00 0.00 C ATOM 1051 O ALA A 66 -3.709 13.602 0.342 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.933 16.797 0.579 1.00 0.00 C ATOM 0 H ALA A 66 -5.252 17.548 0.945 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.066 15.762 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.015 16.241 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.921 17.727 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.003 17.024 1.643 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.596 14.641 2.128 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.650 13.435 2.943 1.00 0.00 C ATOM 1060 C LEU A 67 -5.669 12.449 2.389 1.00 0.00 C ATOM 1061 O LEU A 67 -5.441 11.240 2.391 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.998 13.785 4.390 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.802 14.116 5.281 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -4.275 14.621 6.635 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.905 12.897 5.442 1.00 0.00 C ATOM 0 H LEU A 67 -4.946 15.479 2.592 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.666 12.967 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.677 14.637 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.539 12.947 4.830 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.221 14.906 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.412 14.853 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.876 15.520 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.877 13.853 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.058 13.150 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.472 12.085 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.541 12.581 4.464 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.797 12.972 1.917 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.847 12.128 1.365 1.00 0.00 C ATOM 1079 C GLN A 68 -7.381 11.448 0.087 1.00 0.00 C ATOM 1080 O GLN A 68 -7.506 10.232 -0.061 1.00 0.00 O ATOM 1081 CB GLN A 68 -9.109 12.952 1.099 1.00 0.00 C ATOM 1082 CG GLN A 68 -10.234 12.159 0.451 1.00 0.00 C ATOM 1083 CD GLN A 68 -11.471 12.073 1.325 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.834 13.034 2.003 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -12.125 10.918 1.313 1.00 0.00 N ATOM 0 H GLN A 68 -7.005 13.971 1.906 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.081 11.355 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.466 13.368 2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.853 13.794 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.498 12.622 -0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.881 11.152 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.788 10.147 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.964 10.801 1.881 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.838 12.233 -0.832 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.352 11.686 -2.090 1.00 0.00 C ATOM 1096 C GLU A 69 -5.219 10.704 -1.834 1.00 0.00 C ATOM 1097 O GLU A 69 -5.077 9.710 -2.545 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.892 12.797 -3.039 1.00 0.00 C ATOM 1099 CG GLU A 69 -4.871 13.748 -2.438 1.00 0.00 C ATOM 1100 CD GLU A 69 -4.889 15.111 -3.104 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.961 15.512 -3.605 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -3.833 15.776 -3.124 1.00 0.00 O ATOM 0 H GLU A 69 -6.723 13.242 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.177 11.158 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.466 12.342 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.762 13.371 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.070 13.864 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.875 13.314 -2.531 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.424 10.972 -0.802 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.323 10.086 -0.459 1.00 0.00 C ATOM 1111 C LEU A 70 -3.868 8.748 0.025 1.00 0.00 C ATOM 1112 O LEU A 70 -3.467 7.691 -0.460 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.443 10.717 0.623 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.999 10.213 0.661 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.107 11.084 -0.208 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.486 10.179 2.093 1.00 0.00 C ATOM 0 H LEU A 70 -4.522 11.787 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.714 9.924 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.431 11.797 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.901 10.533 1.595 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.976 9.198 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.916 10.710 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.464 11.057 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.133 12.110 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.543 9.818 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.522 11.183 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.110 9.512 2.687 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.780 8.801 0.994 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.370 7.590 1.551 1.00 0.00 C ATOM 1130 C ARG A 71 -6.031 6.761 0.458 1.00 0.00 C ATOM 1131 O ARG A 71 -5.892 5.539 0.424 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.396 7.945 2.630 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.903 6.740 3.404 1.00 0.00 C ATOM 1134 CD ARG A 71 -8.021 7.122 4.361 1.00 0.00 C ATOM 1135 NE ARG A 71 -8.785 5.956 4.800 1.00 0.00 N ATOM 1136 CZ ARG A 71 -9.558 5.941 5.883 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -9.681 7.026 6.638 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -10.214 4.837 6.212 1.00 0.00 N ATOM 0 H ARG A 71 -5.124 9.668 1.407 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.572 6.999 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.948 8.653 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.242 8.450 2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.262 5.983 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.081 6.293 3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.599 7.627 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.690 7.832 3.873 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.722 5.104 4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.181 7.880 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.276 7.006 7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.126 4.000 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.807 4.824 7.042 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.744 7.430 -0.442 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.412 6.741 -1.537 1.00 0.00 C ATOM 1154 C GLN A 72 -6.391 6.040 -2.425 1.00 0.00 C ATOM 1155 O GLN A 72 -6.521 4.849 -2.717 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.246 7.723 -2.364 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.987 7.069 -3.519 1.00 0.00 C ATOM 1158 CD GLN A 72 -10.008 7.992 -4.154 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -10.948 8.442 -3.497 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -9.829 8.280 -5.437 1.00 0.00 N ATOM 0 H GLN A 72 -6.873 8.442 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.080 5.992 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.968 8.213 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.592 8.501 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.268 6.754 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.488 6.170 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.036 7.885 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.484 8.897 -5.918 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.366 6.779 -2.841 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.320 6.214 -3.683 1.00 0.00 C ATOM 1171 C GLU A 73 -3.708 4.986 -3.016 1.00 0.00 C ATOM 1172 O GLU A 73 -3.613 3.921 -3.625 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.239 7.262 -3.958 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.440 8.014 -5.264 1.00 0.00 C ATOM 1175 CD GLU A 73 -4.427 9.157 -5.134 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -5.648 8.897 -5.179 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -3.978 10.314 -4.990 1.00 0.00 O ATOM 0 H GLU A 73 -5.239 7.764 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.762 5.910 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.220 7.977 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.266 6.772 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.481 8.404 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.792 7.320 -6.028 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.305 5.140 -1.757 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.715 4.040 -1.003 1.00 0.00 C ATOM 1186 C LEU A 74 -3.653 2.848 -0.961 1.00 0.00 C ATOM 1187 O LEU A 74 -3.238 1.728 -1.227 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.368 4.491 0.418 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.213 5.488 0.516 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.327 6.312 1.790 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.122 4.760 0.465 1.00 0.00 C ATOM 0 H LEU A 74 -3.377 6.016 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.798 3.737 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.254 4.939 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.120 3.611 1.012 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.267 6.166 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.497 7.016 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.269 6.861 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.297 5.650 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.934 5.484 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.186 4.060 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.203 4.214 -0.475 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.921 3.078 -0.635 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.877 1.981 -0.587 1.00 0.00 C ATOM 1205 C ASN A 75 -5.953 1.304 -1.948 1.00 0.00 C ATOM 1206 O ASN A 75 -6.218 0.106 -2.047 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.259 2.477 -0.157 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.349 2.715 1.338 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -6.420 3.243 1.951 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -8.470 2.326 1.934 1.00 0.00 N ATOM 0 H ASN A 75 -5.304 3.995 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.537 1.256 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.490 3.403 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.012 1.746 -0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.587 2.461 2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.214 1.893 1.387 1.00 0.00 H new ATOM 1217 N THR A 76 -5.684 2.077 -2.993 1.00 0.00 N ATOM 1218 CA THR A 76 -5.684 1.546 -4.343 1.00 0.00 C ATOM 1219 C THR A 76 -4.449 0.679 -4.538 1.00 0.00 C ATOM 1220 O THR A 76 -4.550 -0.479 -4.930 1.00 0.00 O ATOM 1221 CB THR A 76 -5.711 2.678 -5.372 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.668 3.658 -5.014 1.00 0.00 O ATOM 1223 CG2 THR A 76 -6.039 2.207 -6.772 1.00 0.00 C ATOM 0 H THR A 76 -5.464 3.071 -2.928 1.00 0.00 H new ATOM 0 HA THR A 76 -6.579 0.942 -4.489 1.00 0.00 H new ATOM 0 HB THR A 76 -4.703 3.092 -5.372 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.335 4.178 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.042 3.059 -7.451 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.290 1.485 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.022 1.736 -6.777 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.284 1.257 -4.263 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.021 0.543 -4.406 1.00 0.00 C ATOM 1233 C LEU A 77 -2.003 -0.725 -3.551 1.00 0.00 C ATOM 1234 O LEU A 77 -1.596 -1.788 -4.017 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.847 1.448 -4.016 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.685 2.730 -4.846 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.745 3.240 -4.757 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -1.072 2.492 -6.300 1.00 0.00 C ATOM 0 H LEU A 77 -3.189 2.220 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.919 0.255 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.961 1.728 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.074 0.870 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.355 3.486 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.845 4.149 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.990 3.457 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.427 2.480 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.948 3.416 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.433 1.718 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.113 2.172 -6.352 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.427 -0.607 -2.292 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.440 -1.752 -1.380 1.00 0.00 C ATOM 1252 C ALA A 78 -3.472 -2.803 -1.792 1.00 0.00 C ATOM 1253 O ALA A 78 -3.385 -3.961 -1.383 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.703 -1.284 0.043 1.00 0.00 C ATOM 0 H ALA A 78 -2.764 0.264 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.458 -2.223 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.711 -2.144 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.918 -0.592 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.669 -0.780 0.088 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.481 -2.381 -2.548 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.561 -3.284 -2.944 1.00 0.00 C ATOM 1262 C ASN A 79 -5.038 -4.502 -3.714 1.00 0.00 C ATOM 1263 O ASN A 79 -5.293 -5.637 -3.313 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.589 -2.532 -3.794 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.964 -2.514 -3.156 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.884 -3.189 -3.618 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.112 -1.739 -2.088 1.00 0.00 N ATOM 0 H ASN A 79 -4.575 -1.427 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.034 -3.648 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.250 -1.508 -3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.654 -2.998 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.015 -1.687 -1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.322 -1.196 -1.738 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.295 -4.308 -4.814 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.752 -5.429 -5.590 1.00 0.00 C ATOM 1276 C PRO A 80 -2.740 -6.246 -4.787 1.00 0.00 C ATOM 1277 O PRO A 80 -2.451 -7.393 -5.120 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.071 -4.749 -6.782 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.797 -3.358 -6.324 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.914 -3.007 -5.382 1.00 0.00 C ATOM 0 HA PRO A 80 -4.527 -6.138 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.150 -5.263 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.715 -4.756 -7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.830 -3.295 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.766 -2.668 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.586 -2.311 -4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.747 -2.535 -5.903 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.205 -5.641 -3.729 1.00 0.00 N ATOM 1289 CA PHE A 81 -1.220 -6.294 -2.869 1.00 0.00 C ATOM 1290 C PHE A 81 -1.866 -7.351 -1.979 1.00 0.00 C ATOM 1291 O PHE A 81 -1.347 -8.460 -1.822 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.544 -5.238 -1.989 1.00 0.00 C ATOM 1293 CG PHE A 81 0.787 -5.651 -1.426 1.00 0.00 C ATOM 1294 CD1 PHE A 81 0.926 -6.817 -0.687 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.902 -4.859 -1.632 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.154 -7.182 -0.169 1.00 0.00 C ATOM 1297 CE2 PHE A 81 3.131 -5.220 -1.116 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.258 -6.381 -0.384 1.00 0.00 C ATOM 0 H PHE A 81 -2.440 -4.690 -3.445 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.487 -6.789 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.410 -4.328 -2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.212 -4.990 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.065 -7.446 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.810 -3.947 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.250 -8.093 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.993 -4.592 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.219 -6.664 0.020 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.997 -6.995 -1.388 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.706 -7.900 -0.497 1.00 0.00 C ATOM 1310 C LEU A 82 -4.474 -8.964 -1.266 1.00 0.00 C ATOM 1311 O LEU A 82 -4.607 -10.096 -0.799 1.00 0.00 O ATOM 1312 CB LEU A 82 -4.649 -7.119 0.416 1.00 0.00 C ATOM 1313 CG LEU A 82 -4.084 -6.811 1.802 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.581 -8.080 2.472 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -2.972 -5.776 1.708 1.00 0.00 C ATOM 0 H LEU A 82 -3.443 -6.086 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.961 -8.409 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.911 -6.180 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.573 -7.686 0.533 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.886 -6.398 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.183 -7.838 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.404 -8.787 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.795 -8.526 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.582 -5.569 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.170 -6.160 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.366 -4.857 1.275 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.963 -8.621 -2.454 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.692 -9.582 -3.265 1.00 0.00 C ATOM 1329 C ALA A 83 -4.724 -10.546 -3.933 1.00 0.00 C ATOM 1330 O ALA A 83 -4.989 -11.744 -4.032 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.545 -8.868 -4.303 1.00 0.00 C ATOM 0 H ALA A 83 -4.868 -7.695 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.356 -10.153 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.083 -9.604 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.260 -8.216 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.904 -8.272 -4.953 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.592 -10.014 -4.383 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.580 -10.831 -5.033 1.00 0.00 C ATOM 1339 C LYS A 84 -1.965 -11.801 -4.034 1.00 0.00 C ATOM 1340 O LYS A 84 -1.721 -12.964 -4.361 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.491 -9.956 -5.669 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.562 -9.295 -4.664 1.00 0.00 C ATOM 1343 CD LYS A 84 0.391 -8.320 -5.341 1.00 0.00 C ATOM 1344 CE LYS A 84 1.270 -9.018 -6.366 1.00 0.00 C ATOM 1345 NZ LYS A 84 0.638 -9.051 -7.713 1.00 0.00 N ATOM 0 H LYS A 84 -3.355 -9.025 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.061 -11.401 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.898 -10.569 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.967 -9.182 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.152 -8.767 -3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.011 -10.060 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.181 -7.530 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.018 -7.841 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.230 -8.506 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.473 -10.037 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.529 -10.038 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.297 -8.597 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.239 -8.541 -8.391 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.721 -11.330 -2.810 1.00 0.00 N ATOM 1360 CA TYR A 85 -1.140 -12.194 -1.791 1.00 0.00 C ATOM 1361 C TYR A 85 -2.137 -13.251 -1.343 1.00 0.00 C ATOM 1362 O TYR A 85 -1.785 -14.419 -1.184 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.660 -11.395 -0.576 1.00 0.00 C ATOM 1364 CG TYR A 85 0.405 -12.110 0.244 1.00 0.00 C ATOM 1365 CD1 TYR A 85 1.046 -13.256 -0.235 1.00 0.00 C ATOM 1366 CD2 TYR A 85 0.767 -11.643 1.502 1.00 0.00 C ATOM 1367 CE1 TYR A 85 2.009 -13.905 0.514 1.00 0.00 C ATOM 1368 CE2 TYR A 85 1.731 -12.289 2.255 1.00 0.00 C ATOM 1369 CZ TYR A 85 2.347 -13.418 1.758 1.00 0.00 C ATOM 1370 OH TYR A 85 3.307 -14.060 2.505 1.00 0.00 O ATOM 0 H TYR A 85 -1.913 -10.375 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.277 -12.683 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.263 -10.438 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.514 -11.177 0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.784 -13.642 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.287 -10.760 1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.494 -14.789 0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.000 -11.910 3.230 1.00 0.00 H new ATOM 0 HH TYR A 85 3.769 -13.409 3.073 1.00 0.00 H new ATOM 1380 N ARG A 86 -3.385 -12.840 -1.141 1.00 0.00 N ATOM 1381 CA ARG A 86 -4.427 -13.766 -0.714 1.00 0.00 C ATOM 1382 C ARG A 86 -4.558 -14.907 -1.713 1.00 0.00 C ATOM 1383 O ARG A 86 -4.609 -16.074 -1.334 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.764 -13.037 -0.567 1.00 0.00 C ATOM 1385 CG ARG A 86 -6.147 -12.745 0.877 1.00 0.00 C ATOM 1386 CD ARG A 86 -7.464 -13.408 1.253 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.529 -13.728 2.676 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.647 -14.082 3.307 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -9.794 -14.159 2.645 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -8.615 -14.358 4.604 1.00 0.00 N ATOM 0 H ARG A 86 -3.698 -11.877 -1.265 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.148 -14.178 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.718 -12.098 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.548 -13.639 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.359 -13.098 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.227 -11.668 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.290 -12.747 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.590 -14.320 0.670 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.667 -13.677 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.823 -13.947 1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.647 -14.431 3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.735 -14.299 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.470 -14.629 5.089 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.592 -14.558 -2.992 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.695 -15.555 -4.049 1.00 0.00 C ATOM 1406 C ASP A 87 -3.458 -16.448 -4.042 1.00 0.00 C ATOM 1407 O ASP A 87 -3.546 -17.662 -4.235 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.849 -14.877 -5.412 1.00 0.00 C ATOM 1409 CG ASP A 87 -5.987 -15.467 -6.223 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -7.157 -15.270 -5.835 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -5.706 -16.125 -7.247 1.00 0.00 O ATOM 0 H ASP A 87 -4.550 -13.594 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.578 -16.168 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.024 -13.811 -5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.918 -14.975 -5.971 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.308 -15.828 -3.804 1.00 0.00 N ATOM 1417 CA PHE A 88 -1.037 -16.541 -3.755 1.00 0.00 C ATOM 1418 C PHE A 88 -1.038 -17.567 -2.618 1.00 0.00 C ATOM 1419 O PHE A 88 -0.664 -18.723 -2.811 1.00 0.00 O ATOM 1420 CB PHE A 88 0.108 -15.522 -3.584 1.00 0.00 C ATOM 1421 CG PHE A 88 1.415 -16.092 -3.091 1.00 0.00 C ATOM 1422 CD1 PHE A 88 1.551 -16.519 -1.779 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.515 -16.184 -3.936 1.00 0.00 C ATOM 1424 CE1 PHE A 88 2.749 -17.026 -1.320 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.714 -16.693 -3.480 1.00 0.00 C ATOM 1426 CZ PHE A 88 3.830 -17.113 -2.171 1.00 0.00 C ATOM 0 H PHE A 88 -2.230 -14.824 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.889 -17.087 -4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.283 -15.034 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.217 -14.749 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.708 -16.454 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.430 -15.853 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.840 -17.354 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.560 -16.762 -4.147 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.768 -17.510 -1.813 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.447 -17.126 -1.432 1.00 0.00 N ATOM 1437 CA LEU A 89 -1.485 -17.989 -0.253 1.00 0.00 C ATOM 1438 C LEU A 89 -2.644 -18.991 -0.284 1.00 0.00 C ATOM 1439 O LEU A 89 -2.516 -20.107 0.217 1.00 0.00 O ATOM 1440 CB LEU A 89 -1.577 -17.138 1.013 1.00 0.00 C ATOM 1441 CG LEU A 89 -0.786 -17.671 2.207 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.629 -17.117 2.197 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -1.490 -17.322 3.510 1.00 0.00 C ATOM 0 H LEU A 89 -1.759 -16.170 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.560 -18.566 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.226 -16.132 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.625 -17.052 1.300 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.729 -18.757 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.178 -17.507 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.131 -17.417 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.594 -16.029 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.913 -17.709 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.577 -16.239 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.485 -17.768 3.517 1.00 0.00 H new ATOM 1455 N LYS A 90 -3.778 -18.582 -0.846 1.00 0.00 N ATOM 1456 CA LYS A 90 -4.957 -19.447 -0.904 1.00 0.00 C ATOM 1457 C LYS A 90 -4.836 -20.505 -1.997 1.00 0.00 C ATOM 1458 O LYS A 90 -5.487 -21.547 -1.934 1.00 0.00 O ATOM 1459 CB LYS A 90 -6.221 -18.613 -1.131 1.00 0.00 C ATOM 1460 CG LYS A 90 -6.933 -18.223 0.155 1.00 0.00 C ATOM 1461 CD LYS A 90 -6.067 -17.326 1.025 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.312 -17.576 2.505 1.00 0.00 C ATOM 1463 NZ LYS A 90 -5.058 -17.941 3.221 1.00 0.00 N ATOM 0 H LYS A 90 -3.907 -17.662 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.026 -19.961 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.956 -17.708 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.909 -19.176 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.864 -17.709 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.200 -19.122 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.016 -17.500 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.275 -16.282 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.742 -16.683 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.043 -18.376 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.293 -18.467 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.467 -18.534 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.537 -17.076 3.472 1.00 0.00 H new ATOM 1477 N SER A 91 -4.008 -20.236 -2.997 1.00 0.00 N ATOM 1478 CA SER A 91 -3.821 -21.177 -4.095 1.00 0.00 C ATOM 1479 C SER A 91 -2.675 -22.139 -3.803 1.00 0.00 C ATOM 1480 O SER A 91 -2.809 -23.351 -3.971 1.00 0.00 O ATOM 1481 CB SER A 91 -3.552 -20.424 -5.400 1.00 0.00 C ATOM 1482 OG SER A 91 -3.525 -21.311 -6.505 1.00 0.00 O ATOM 0 H SER A 91 -3.458 -19.380 -3.072 1.00 0.00 H new ATOM 0 HA SER A 91 -4.737 -21.758 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.324 -19.670 -5.554 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.601 -19.897 -5.330 1.00 0.00 H new ATOM 0 HG SER A 91 -3.353 -20.805 -7.326 1.00 0.00 H new