USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 1 ASN N :NH3+ 141:sc= 0.0455 (180deg=0) USER MOD Single : A 5 SER OG : rot 111:sc= 0.0913 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 23 SER OG : rot -41:sc= 0.305 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= 0.0174 USER MOD Single : A 35 SER OG : rot -27:sc= 0.138 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00262) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0579 (180deg=-0.532) USER MOD Single : A 48 ASN : amide:sc= 0.0186 K(o=0.019,f=-2.6!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= 0.308 (180deg=-0.636) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 4:sc= 0.299 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.702 X(o=-0.7,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= -0.0852 (180deg=-0.996) USER MOD Single : A 75 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.386 45.996 32.496 1.00 20.00 N ATOM 2 CA ASN A 1 14.972 44.870 31.744 1.00 20.00 C ATOM 3 C ASN A 1 15.531 43.800 32.685 1.00 20.00 C ATOM 4 O ASN A 1 15.924 44.104 33.812 1.00 20.00 O ATOM 5 CB ASN A 1 16.003 45.347 30.701 1.00 20.00 C ATOM 6 CG ASN A 1 17.129 46.242 31.240 1.00 20.00 C ATOM 7 OD1 ASN A 1 17.506 46.168 32.405 1.00 20.00 O ATOM 8 ND2 ASN A 1 17.689 47.092 30.380 1.00 20.00 N ATOM 0 H1 ASN A 1 14.615 46.890 32.017 1.00 20.00 H new ATOM 0 H2 ASN A 1 13.353 45.883 32.542 1.00 20.00 H new ATOM 0 H3 ASN A 1 14.776 46.010 33.460 1.00 20.00 H new ATOM 0 HA ASN A 1 14.168 44.399 31.178 1.00 20.00 H new ATOM 0 HB2 ASN A 1 16.452 44.471 30.234 1.00 20.00 H new ATOM 0 HB3 ASN A 1 15.475 45.891 29.917 1.00 20.00 H new ATOM 0 HD21 ASN A 1 18.449 47.700 30.685 1.00 20.00 H new ATOM 0 HD22 ASN A 1 17.358 47.135 29.416 1.00 20.00 H new ATOM 17 N GLU A 2 15.538 42.542 32.217 1.00 20.00 N ATOM 18 CA GLU A 2 15.953 41.373 32.996 1.00 20.00 C ATOM 19 C GLU A 2 17.017 40.552 32.268 1.00 20.00 C ATOM 20 O GLU A 2 17.991 40.149 32.897 1.00 20.00 O ATOM 21 CB GLU A 2 14.724 40.513 33.326 1.00 20.00 C ATOM 22 CG GLU A 2 15.004 39.551 34.490 1.00 20.00 C ATOM 23 CD GLU A 2 13.766 38.776 34.951 1.00 20.00 C ATOM 24 OE1 GLU A 2 12.717 38.850 34.271 1.00 20.00 O ATOM 25 OE2 GLU A 2 13.886 38.105 35.999 1.00 20.00 O ATOM 0 H GLU A 2 15.249 42.308 31.267 1.00 20.00 H new ATOM 0 HA GLU A 2 16.406 41.723 33.924 1.00 20.00 H new ATOM 0 HB2 GLU A 2 13.885 41.160 33.581 1.00 20.00 H new ATOM 0 HB3 GLU A 2 14.431 39.943 32.444 1.00 20.00 H new ATOM 0 HG2 GLU A 2 15.775 38.842 34.188 1.00 20.00 H new ATOM 0 HG3 GLU A 2 15.403 40.117 35.332 1.00 20.00 H new ATOM 32 N CYS A 3 16.865 40.330 30.953 1.00 20.00 N ATOM 33 CA CYS A 3 17.861 39.639 30.136 1.00 20.00 C ATOM 34 C CYS A 3 19.214 40.371 30.189 1.00 20.00 C ATOM 35 O CYS A 3 20.253 39.722 30.284 1.00 20.00 O ATOM 36 CB CYS A 3 17.356 39.507 28.692 1.00 20.00 C ATOM 37 SG CYS A 3 15.920 38.414 28.531 1.00 20.00 S ATOM 0 H CYS A 3 16.042 40.628 30.429 1.00 20.00 H new ATOM 0 HA CYS A 3 18.013 38.638 30.539 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.095 40.496 28.314 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.164 39.129 28.065 1.00 20.00 H new ATOM 42 N VAL A 4 19.191 41.716 30.193 1.00 20.00 N ATOM 43 CA VAL A 4 20.361 42.587 30.344 1.00 20.00 C ATOM 44 C VAL A 4 20.994 42.422 31.734 1.00 20.00 C ATOM 45 O VAL A 4 22.217 42.337 31.834 1.00 20.00 O ATOM 46 CB VAL A 4 19.960 44.058 30.092 1.00 20.00 C ATOM 47 CG1 VAL A 4 21.151 45.019 30.260 1.00 20.00 C ATOM 48 CG2 VAL A 4 19.393 44.261 28.681 1.00 20.00 C ATOM 0 H VAL A 4 18.323 42.241 30.087 1.00 20.00 H new ATOM 0 HA VAL A 4 21.108 42.297 29.605 1.00 20.00 H new ATOM 0 HB VAL A 4 19.197 44.283 30.837 1.00 20.00 H new ATOM 0 HG11 VAL A 4 20.823 46.041 30.073 1.00 20.00 H new ATOM 0 HG12 VAL A 4 21.540 44.942 31.275 1.00 20.00 H new ATOM 0 HG13 VAL A 4 21.935 44.755 29.550 1.00 20.00 H new ATOM 0 HG21 VAL A 4 19.123 45.308 28.544 1.00 20.00 H new ATOM 0 HG22 VAL A 4 20.145 43.981 27.943 1.00 20.00 H new ATOM 0 HG23 VAL A 4 18.508 43.639 28.552 1.00 20.00 H new ATOM 58 N SER A 5 20.173 42.361 32.794 1.00 20.00 N ATOM 59 CA SER A 5 20.622 42.217 34.183 1.00 20.00 C ATOM 60 C SER A 5 21.354 40.893 34.426 1.00 20.00 C ATOM 61 O SER A 5 22.325 40.870 35.183 1.00 20.00 O ATOM 62 CB SER A 5 19.428 42.321 35.140 1.00 20.00 C ATOM 63 OG SER A 5 18.786 43.572 35.016 1.00 20.00 O ATOM 0 H SER A 5 19.158 42.412 32.705 1.00 20.00 H new ATOM 0 HA SER A 5 21.326 43.027 34.374 1.00 20.00 H new ATOM 0 HB2 SER A 5 18.718 41.522 34.929 1.00 20.00 H new ATOM 0 HB3 SER A 5 19.767 42.183 36.167 1.00 20.00 H new ATOM 0 HG SER A 5 17.904 43.448 34.606 1.00 20.00 H new ATOM 69 N LYS A 6 20.913 39.807 33.771 1.00 20.00 N ATOM 70 CA LYS A 6 21.540 38.486 33.824 1.00 20.00 C ATOM 71 C LYS A 6 22.784 38.379 32.917 1.00 20.00 C ATOM 72 O LYS A 6 23.537 37.415 33.051 1.00 20.00 O ATOM 73 CB LYS A 6 20.508 37.416 33.428 1.00 20.00 C ATOM 74 CG LYS A 6 19.249 37.340 34.309 1.00 20.00 C ATOM 75 CD LYS A 6 19.503 36.854 35.740 1.00 20.00 C ATOM 76 CE LYS A 6 18.165 36.826 36.486 1.00 20.00 C ATOM 77 NZ LYS A 6 18.338 36.479 37.907 1.00 20.00 N ATOM 0 H LYS A 6 20.086 39.830 33.174 1.00 20.00 H new ATOM 0 HA LYS A 6 21.880 38.326 34.847 1.00 20.00 H new ATOM 0 HB2 LYS A 6 20.198 37.601 32.400 1.00 20.00 H new ATOM 0 HB3 LYS A 6 20.998 36.443 33.443 1.00 20.00 H new ATOM 0 HG2 LYS A 6 18.790 38.328 34.350 1.00 20.00 H new ATOM 0 HG3 LYS A 6 18.529 36.673 33.835 1.00 20.00 H new ATOM 0 HD2 LYS A 6 19.952 35.861 35.729 1.00 20.00 H new ATOM 0 HD3 LYS A 6 20.206 37.516 36.246 1.00 20.00 H new ATOM 0 HE2 LYS A 6 17.684 37.801 36.406 1.00 20.00 H new ATOM 0 HE3 LYS A 6 17.500 36.103 36.014 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 17.411 36.470 38.378 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 18.774 35.538 37.984 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 18.952 37.183 38.364 1.00 20.00 H new ATOM 91 N GLY A 7 23.015 39.355 32.022 1.00 20.00 N ATOM 92 CA GLY A 7 24.208 39.476 31.181 1.00 20.00 C ATOM 93 C GLY A 7 24.026 39.019 29.727 1.00 20.00 C ATOM 94 O GLY A 7 24.987 39.066 28.960 1.00 20.00 O ATOM 0 H GLY A 7 22.346 40.109 31.862 1.00 20.00 H new ATOM 0 HA2 GLY A 7 24.530 40.517 31.181 1.00 20.00 H new ATOM 0 HA3 GLY A 7 25.012 38.894 31.631 1.00 20.00 H new ATOM 98 N PHE A 8 22.820 38.581 29.343 1.00 20.00 N ATOM 99 CA PHE A 8 22.467 38.127 27.997 1.00 20.00 C ATOM 100 C PHE A 8 22.204 39.307 27.040 1.00 20.00 C ATOM 101 O PHE A 8 22.305 40.471 27.434 1.00 20.00 O ATOM 102 CB PHE A 8 21.249 37.198 28.106 1.00 20.00 C ATOM 103 CG PHE A 8 21.390 36.087 29.135 1.00 20.00 C ATOM 104 CD1 PHE A 8 22.454 35.168 29.051 1.00 20.00 C ATOM 105 CD2 PHE A 8 20.453 35.967 30.179 1.00 20.00 C ATOM 106 CE1 PHE A 8 22.558 34.118 29.981 1.00 20.00 C ATOM 107 CE2 PHE A 8 20.563 34.921 31.112 1.00 20.00 C ATOM 108 CZ PHE A 8 21.613 33.995 31.012 1.00 20.00 C ATOM 0 H PHE A 8 22.033 38.532 29.990 1.00 20.00 H new ATOM 0 HA PHE A 8 23.306 37.580 27.567 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.373 37.797 28.355 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.062 36.750 27.130 1.00 20.00 H new ATOM 0 HD1 PHE A 8 23.193 35.270 28.270 1.00 20.00 H new ATOM 0 HD2 PHE A 8 19.647 36.681 30.263 1.00 20.00 H new ATOM 0 HE1 PHE A 8 23.366 33.406 29.902 1.00 20.00 H new ATOM 0 HE2 PHE A 8 19.838 34.830 31.907 1.00 20.00 H new ATOM 0 HZ PHE A 8 21.694 33.189 31.727 1.00 20.00 H new ATOM 118 N GLY A 9 21.873 39.000 25.775 1.00 20.00 N ATOM 119 CA GLY A 9 21.648 39.963 24.695 1.00 20.00 C ATOM 120 C GLY A 9 20.216 39.932 24.152 1.00 20.00 C ATOM 121 O GLY A 9 19.422 39.071 24.533 1.00 20.00 O ATOM 0 H GLY A 9 21.751 38.035 25.469 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.871 40.966 25.058 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.343 39.757 23.881 1.00 20.00 H new ATOM 125 N CYS A 10 19.915 40.864 23.233 1.00 20.00 N ATOM 126 CA CYS A 10 18.610 41.018 22.584 1.00 20.00 C ATOM 127 C CYS A 10 18.695 40.818 21.062 1.00 20.00 C ATOM 128 O CYS A 10 18.079 41.571 20.303 1.00 20.00 O ATOM 129 CB CYS A 10 17.959 42.367 22.945 1.00 20.00 C ATOM 130 SG CYS A 10 17.707 42.714 24.699 1.00 20.00 S ATOM 0 H CYS A 10 20.598 41.551 22.914 1.00 20.00 H new ATOM 0 HA CYS A 10 17.965 40.229 22.970 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.576 43.163 22.528 1.00 20.00 H new ATOM 0 HB3 CYS A 10 16.991 42.420 22.447 1.00 20.00 H new ATOM 135 N LEU A 11 19.460 39.816 20.603 1.00 20.00 N ATOM 136 CA LEU A 11 19.562 39.478 19.183 1.00 20.00 C ATOM 137 C LEU A 11 18.191 39.027 18.653 1.00 20.00 C ATOM 138 O LEU A 11 17.462 38.346 19.374 1.00 20.00 O ATOM 139 CB LEU A 11 20.577 38.346 18.949 1.00 20.00 C ATOM 140 CG LEU A 11 22.067 38.737 18.934 1.00 20.00 C ATOM 141 CD1 LEU A 11 22.425 39.636 17.741 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.516 39.395 20.243 1.00 20.00 C ATOM 0 H LEU A 11 20.024 39.220 21.209 1.00 20.00 H new ATOM 0 HA LEU A 11 19.899 40.370 18.654 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.431 37.594 19.725 1.00 20.00 H new ATOM 0 HB3 LEU A 11 20.341 37.871 17.997 1.00 20.00 H new ATOM 0 HG LEU A 11 22.611 37.799 18.826 1.00 20.00 H new ATOM 0 HD11 LEU A 11 23.486 39.883 17.777 1.00 20.00 H new ATOM 0 HD12 LEU A 11 22.206 39.111 16.811 1.00 20.00 H new ATOM 0 HD13 LEU A 11 21.837 40.553 17.787 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.574 39.650 20.178 1.00 20.00 H new ATOM 0 HD22 LEU A 11 21.934 40.301 20.413 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.360 38.703 21.070 1.00 20.00 H new ATOM 154 N PRO A 12 17.845 39.364 17.397 1.00 20.00 N ATOM 155 CA PRO A 12 16.524 39.118 16.835 1.00 20.00 C ATOM 156 C PRO A 12 16.282 37.638 16.511 1.00 20.00 C ATOM 157 O PRO A 12 17.204 36.819 16.469 1.00 20.00 O ATOM 158 CB PRO A 12 16.454 40.006 15.588 1.00 20.00 C ATOM 159 CG PRO A 12 17.908 40.074 15.130 1.00 20.00 C ATOM 160 CD PRO A 12 18.680 40.083 16.448 1.00 20.00 C ATOM 0 HA PRO A 12 15.737 39.360 17.550 1.00 20.00 H new ATOM 0 HB2 PRO A 12 15.810 39.575 14.822 1.00 20.00 H new ATOM 0 HB3 PRO A 12 16.057 40.995 15.819 1.00 20.00 H new ATOM 0 HG2 PRO A 12 18.177 39.219 14.510 1.00 20.00 H new ATOM 0 HG3 PRO A 12 18.105 40.969 14.540 1.00 20.00 H new ATOM 0 HD2 PRO A 12 19.651 39.600 16.336 1.00 20.00 H new ATOM 0 HD3 PRO A 12 18.868 41.102 16.785 1.00 20.00 H new ATOM 168 N GLN A 13 15.004 37.325 16.262 1.00 20.00 N ATOM 169 CA GLN A 13 14.509 35.999 15.899 1.00 20.00 C ATOM 170 C GLN A 13 15.058 35.520 14.544 1.00 20.00 C ATOM 171 O GLN A 13 15.169 34.314 14.326 1.00 20.00 O ATOM 172 CB GLN A 13 12.968 36.005 15.879 1.00 20.00 C ATOM 173 CG GLN A 13 12.364 36.280 17.264 1.00 20.00 C ATOM 174 CD GLN A 13 10.841 36.274 17.244 1.00 20.00 C ATOM 175 OE1 GLN A 13 10.221 35.218 17.335 1.00 20.00 O ATOM 176 NE2 GLN A 13 10.223 37.448 17.154 1.00 20.00 N ATOM 0 H GLN A 13 14.259 38.020 16.311 1.00 20.00 H new ATOM 0 HA GLN A 13 14.865 35.297 16.654 1.00 20.00 H new ATOM 0 HB2 GLN A 13 12.620 36.763 15.177 1.00 20.00 H new ATOM 0 HB3 GLN A 13 12.609 35.043 15.514 1.00 20.00 H new ATOM 0 HG2 GLN A 13 12.719 35.527 17.968 1.00 20.00 H new ATOM 0 HG3 GLN A 13 12.716 37.246 17.626 1.00 20.00 H new ATOM 0 HE21 GLN A 13 10.768 38.307 17.080 1.00 20.00 H new ATOM 0 HE22 GLN A 13 9.204 37.490 17.159 1.00 20.00 H new ATOM 185 N SER A 14 15.428 36.451 13.652 1.00 20.00 N ATOM 186 CA SER A 14 15.983 36.182 12.328 1.00 20.00 C ATOM 187 C SER A 14 17.467 35.778 12.347 1.00 20.00 C ATOM 188 O SER A 14 17.962 35.301 11.326 1.00 20.00 O ATOM 189 CB SER A 14 15.822 37.442 11.472 1.00 20.00 C ATOM 190 OG SER A 14 14.459 37.767 11.294 1.00 20.00 O ATOM 0 H SER A 14 15.343 37.449 13.846 1.00 20.00 H new ATOM 0 HA SER A 14 15.436 35.333 11.917 1.00 20.00 H new ATOM 0 HB2 SER A 14 16.339 38.276 11.947 1.00 20.00 H new ATOM 0 HB3 SER A 14 16.292 37.288 10.501 1.00 20.00 H new ATOM 0 HG SER A 14 14.384 38.576 10.746 1.00 20.00 H new ATOM 196 N ASP A 15 18.174 35.957 13.476 1.00 20.00 N ATOM 197 CA ASP A 15 19.626 35.812 13.578 1.00 20.00 C ATOM 198 C ASP A 15 19.985 34.688 14.549 1.00 20.00 C ATOM 199 O ASP A 15 20.517 33.666 14.111 1.00 20.00 O ATOM 200 CB ASP A 15 20.270 37.148 13.983 1.00 20.00 C ATOM 201 CG ASP A 15 20.301 38.169 12.840 1.00 20.00 C ATOM 202 OD1 ASP A 15 19.225 38.481 12.285 1.00 20.00 O ATOM 203 OD2 ASP A 15 21.415 38.649 12.536 1.00 20.00 O ATOM 0 H ASP A 15 17.736 36.213 14.361 1.00 20.00 H new ATOM 0 HA ASP A 15 20.025 35.538 12.601 1.00 20.00 H new ATOM 0 HB2 ASP A 15 19.720 37.570 14.825 1.00 20.00 H new ATOM 0 HB3 ASP A 15 21.288 36.965 14.327 1.00 20.00 H new ATOM 208 N CYS A 16 19.696 34.861 15.849 1.00 20.00 N ATOM 209 CA CYS A 16 19.927 33.844 16.865 1.00 20.00 C ATOM 210 C CYS A 16 19.133 32.550 16.582 1.00 20.00 C ATOM 211 O CYS A 16 18.131 32.582 15.865 1.00 20.00 O ATOM 212 CB CYS A 16 19.581 34.425 18.244 1.00 20.00 C ATOM 213 SG CYS A 16 21.053 34.910 19.189 1.00 20.00 S ATOM 0 H CYS A 16 19.292 35.722 16.219 1.00 20.00 H new ATOM 0 HA CYS A 16 20.980 33.564 16.845 1.00 20.00 H new ATOM 0 HB2 CYS A 16 18.934 35.293 18.116 1.00 20.00 H new ATOM 0 HB3 CYS A 16 19.016 33.687 18.813 1.00 20.00 H new ATOM 218 N PRO A 17 19.558 31.404 17.148 1.00 20.00 N ATOM 219 CA PRO A 17 18.868 30.126 17.012 1.00 20.00 C ATOM 220 C PRO A 17 17.714 29.987 18.020 1.00 20.00 C ATOM 221 O PRO A 17 17.573 30.791 18.942 1.00 20.00 O ATOM 222 CB PRO A 17 19.968 29.090 17.249 1.00 20.00 C ATOM 223 CG PRO A 17 20.820 29.760 18.324 1.00 20.00 C ATOM 224 CD PRO A 17 20.796 31.226 17.894 1.00 20.00 C ATOM 0 HA PRO A 17 18.392 30.009 16.039 1.00 20.00 H new ATOM 0 HB2 PRO A 17 19.562 28.136 17.587 1.00 20.00 H new ATOM 0 HB3 PRO A 17 20.540 28.890 16.343 1.00 20.00 H new ATOM 0 HG2 PRO A 17 20.400 29.622 19.320 1.00 20.00 H new ATOM 0 HG3 PRO A 17 21.834 29.360 18.347 1.00 20.00 H new ATOM 0 HD2 PRO A 17 20.829 31.887 18.760 1.00 20.00 H new ATOM 0 HD3 PRO A 17 21.662 31.466 17.277 1.00 20.00 H new ATOM 232 N GLN A 18 16.897 28.941 17.836 1.00 20.00 N ATOM 233 CA GLN A 18 15.667 28.682 18.592 1.00 20.00 C ATOM 234 C GLN A 18 15.914 27.962 19.931 1.00 20.00 C ATOM 235 O GLN A 18 14.982 27.792 20.715 1.00 20.00 O ATOM 236 CB GLN A 18 14.697 27.876 17.711 1.00 20.00 C ATOM 237 CG GLN A 18 14.183 28.725 16.536 1.00 20.00 C ATOM 238 CD GLN A 18 13.190 27.986 15.637 1.00 20.00 C ATOM 239 OE1 GLN A 18 13.203 26.761 15.537 1.00 20.00 O ATOM 240 NE2 GLN A 18 12.325 28.729 14.951 1.00 20.00 N ATOM 0 H GLN A 18 17.082 28.227 17.131 1.00 20.00 H new ATOM 0 HA GLN A 18 15.231 29.647 18.851 1.00 20.00 H new ATOM 0 HB2 GLN A 18 15.200 26.987 17.329 1.00 20.00 H new ATOM 0 HB3 GLN A 18 13.855 27.532 18.312 1.00 20.00 H new ATOM 0 HG2 GLN A 18 13.707 29.623 16.928 1.00 20.00 H new ATOM 0 HG3 GLN A 18 15.032 29.051 15.935 1.00 20.00 H new ATOM 0 HE21 GLN A 18 12.333 29.744 15.051 1.00 20.00 H new ATOM 0 HE22 GLN A 18 11.654 28.283 14.326 1.00 20.00 H new ATOM 249 N GLU A 19 17.159 27.556 20.202 1.00 20.00 N ATOM 250 CA GLU A 19 17.614 26.871 21.412 1.00 20.00 C ATOM 251 C GLU A 19 18.089 27.854 22.491 1.00 20.00 C ATOM 252 O GLU A 19 17.919 27.595 23.682 1.00 20.00 O ATOM 253 CB GLU A 19 18.745 25.889 21.056 1.00 20.00 C ATOM 254 CG GLU A 19 19.781 26.424 20.050 1.00 20.00 C ATOM 255 CD GLU A 19 20.911 25.430 19.782 1.00 20.00 C ATOM 256 OE1 GLU A 19 21.565 25.010 20.762 1.00 20.00 O ATOM 257 OE2 GLU A 19 21.130 25.115 18.591 1.00 20.00 O ATOM 0 H GLU A 19 17.921 27.707 19.541 1.00 20.00 H new ATOM 0 HA GLU A 19 16.765 26.326 21.824 1.00 20.00 H new ATOM 0 HB2 GLU A 19 19.263 25.608 21.973 1.00 20.00 H new ATOM 0 HB3 GLU A 19 18.302 24.980 20.649 1.00 20.00 H new ATOM 0 HG2 GLU A 19 19.281 26.661 19.111 1.00 20.00 H new ATOM 0 HG3 GLU A 19 20.203 27.354 20.430 1.00 20.00 H new ATOM 264 N ALA A 20 18.659 28.989 22.069 1.00 20.00 N ATOM 265 CA ALA A 20 19.166 30.061 22.921 1.00 20.00 C ATOM 266 C ALA A 20 18.059 30.945 23.528 1.00 20.00 C ATOM 267 O ALA A 20 18.361 31.930 24.202 1.00 20.00 O ATOM 268 CB ALA A 20 20.141 30.904 22.090 1.00 20.00 C ATOM 0 H ALA A 20 18.783 29.190 21.077 1.00 20.00 H new ATOM 0 HA ALA A 20 19.668 29.607 23.775 1.00 20.00 H new ATOM 0 HB1 ALA A 20 20.536 31.714 22.703 1.00 20.00 H new ATOM 0 HB2 ALA A 20 20.963 30.276 21.746 1.00 20.00 H new ATOM 0 HB3 ALA A 20 19.619 31.322 21.230 1.00 20.00 H new ATOM 274 N ARG A 21 16.786 30.620 23.268 1.00 20.00 N ATOM 275 CA ARG A 21 15.646 31.505 23.506 1.00 20.00 C ATOM 276 C ARG A 21 15.118 31.416 24.941 1.00 20.00 C ATOM 277 O ARG A 21 14.413 30.473 25.301 1.00 20.00 O ATOM 278 CB ARG A 21 14.565 31.268 22.447 1.00 20.00 C ATOM 279 CG ARG A 21 15.217 31.505 21.091 1.00 20.00 C ATOM 280 CD ARG A 21 14.255 32.114 20.086 1.00 20.00 C ATOM 281 NE ARG A 21 15.024 32.610 18.952 1.00 20.00 N ATOM 282 CZ ARG A 21 15.823 33.685 18.921 1.00 20.00 C ATOM 283 NH1 ARG A 21 15.998 34.482 19.975 1.00 20.00 N ATOM 284 NH2 ARG A 21 16.486 33.961 17.806 1.00 20.00 N ATOM 0 H ARG A 21 16.518 29.716 22.879 1.00 20.00 H new ATOM 0 HA ARG A 21 15.987 32.535 23.402 1.00 20.00 H new ATOM 0 HB2 ARG A 21 14.173 30.253 22.515 1.00 20.00 H new ATOM 0 HB3 ARG A 21 13.724 31.945 22.595 1.00 20.00 H new ATOM 0 HG2 ARG A 21 16.076 32.165 21.214 1.00 20.00 H new ATOM 0 HG3 ARG A 21 15.595 30.559 20.702 1.00 20.00 H new ATOM 0 HD2 ARG A 21 13.531 31.369 19.756 1.00 20.00 H new ATOM 0 HD3 ARG A 21 13.691 32.926 20.545 1.00 20.00 H new ATOM 0 HE ARG A 21 14.945 32.079 18.085 1.00 20.00 H new ATOM 0 HH11 ARG A 21 15.514 34.284 20.850 1.00 20.00 H new ATOM 0 HH12 ARG A 21 16.616 35.290 19.906 1.00 20.00 H new ATOM 0 HH21 ARG A 21 16.383 33.359 16.989 1.00 20.00 H new ATOM 0 HH22 ARG A 21 17.099 34.776 17.765 1.00 20.00 H new ATOM 298 N LEU A 22 15.472 32.427 25.743 1.00 20.00 N ATOM 299 CA LEU A 22 15.032 32.634 27.125 1.00 20.00 C ATOM 300 C LEU A 22 13.576 33.138 27.191 1.00 20.00 C ATOM 301 O LEU A 22 12.952 33.400 26.161 1.00 20.00 O ATOM 302 CB LEU A 22 15.975 33.654 27.789 1.00 20.00 C ATOM 303 CG LEU A 22 17.467 33.258 27.809 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.300 34.488 28.185 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.728 32.117 28.803 1.00 20.00 C ATOM 0 H LEU A 22 16.107 33.161 25.427 1.00 20.00 H new ATOM 0 HA LEU A 22 15.067 31.681 27.652 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.876 34.607 27.270 1.00 20.00 H new ATOM 0 HB3 LEU A 22 15.645 33.815 28.815 1.00 20.00 H new ATOM 0 HG LEU A 22 17.752 32.902 26.819 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.357 34.220 28.202 1.00 20.00 H new ATOM 0 HD12 LEU A 22 18.137 35.276 27.450 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.999 34.844 29.171 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.788 31.861 28.793 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.440 32.435 29.805 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.142 31.244 28.517 1.00 20.00 H new ATOM 317 N SER A 23 13.047 33.290 28.416 1.00 20.00 N ATOM 318 CA SER A 23 11.665 33.690 28.695 1.00 20.00 C ATOM 319 C SER A 23 11.549 34.727 29.835 1.00 20.00 C ATOM 320 O SER A 23 10.469 34.888 30.402 1.00 20.00 O ATOM 321 CB SER A 23 10.833 32.423 28.953 1.00 20.00 C ATOM 322 OG SER A 23 9.450 32.702 28.877 1.00 20.00 O ATOM 0 H SER A 23 13.590 33.132 29.265 1.00 20.00 H new ATOM 0 HA SER A 23 11.267 34.209 27.823 1.00 20.00 H new ATOM 0 HB2 SER A 23 11.094 31.657 28.223 1.00 20.00 H new ATOM 0 HB3 SER A 23 11.073 32.020 29.937 1.00 20.00 H new ATOM 0 HG SER A 23 9.265 33.559 29.315 1.00 20.00 H new ATOM 328 N TYR A 24 12.644 35.431 30.167 1.00 20.00 N ATOM 329 CA TYR A 24 12.704 36.569 31.088 1.00 20.00 C ATOM 330 C TYR A 24 11.867 37.752 30.566 1.00 20.00 C ATOM 331 O TYR A 24 10.644 37.779 30.697 1.00 20.00 O ATOM 332 CB TYR A 24 14.187 36.913 31.319 1.00 20.00 C ATOM 333 CG TYR A 24 15.005 35.928 32.123 1.00 20.00 C ATOM 334 CD1 TYR A 24 16.081 35.257 31.517 1.00 20.00 C ATOM 335 CD2 TYR A 24 14.760 35.763 33.498 1.00 20.00 C ATOM 336 CE1 TYR A 24 16.910 34.418 32.277 1.00 20.00 C ATOM 337 CE2 TYR A 24 15.600 34.948 34.273 1.00 20.00 C ATOM 338 CZ TYR A 24 16.679 34.265 33.663 1.00 20.00 C ATOM 339 OH TYR A 24 17.510 33.476 34.403 1.00 20.00 O ATOM 0 H TYR A 24 13.559 35.206 29.776 1.00 20.00 H new ATOM 0 HA TYR A 24 12.258 36.316 32.050 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.662 37.032 30.345 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.236 37.881 31.818 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.271 35.388 30.462 1.00 20.00 H new ATOM 0 HD2 TYR A 24 13.923 36.265 33.959 1.00 20.00 H new ATOM 0 HE1 TYR A 24 17.724 33.889 31.803 1.00 20.00 H new ATOM 0 HE2 TYR A 24 15.423 34.842 35.333 1.00 20.00 H new ATOM 0 HH TYR A 24 17.216 33.477 35.338 1.00 20.00 H new ATOM 349 N GLY A 25 12.560 38.723 29.979 1.00 20.00 N ATOM 350 CA GLY A 25 12.053 39.925 29.327 1.00 20.00 C ATOM 351 C GLY A 25 13.099 41.044 29.326 1.00 20.00 C ATOM 352 O GLY A 25 14.184 40.893 29.888 1.00 20.00 O ATOM 0 H GLY A 25 13.579 38.685 29.945 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.767 39.691 28.301 1.00 20.00 H new ATOM 0 HA3 GLY A 25 11.153 40.266 29.839 1.00 20.00 H new ATOM 356 N GLY A 26 12.761 42.185 28.712 1.00 20.00 N ATOM 357 CA GLY A 26 13.609 43.374 28.693 1.00 20.00 C ATOM 358 C GLY A 26 14.394 43.555 27.394 1.00 20.00 C ATOM 359 O GLY A 26 15.546 43.984 27.446 1.00 20.00 O ATOM 0 H GLY A 26 11.881 42.305 28.210 1.00 20.00 H new ATOM 0 HA2 GLY A 26 12.987 44.254 28.856 1.00 20.00 H new ATOM 0 HA3 GLY A 26 14.311 43.321 29.526 1.00 20.00 H new ATOM 363 N CYS A 27 13.778 43.233 26.248 1.00 20.00 N ATOM 364 CA CYS A 27 14.338 43.395 24.907 1.00 20.00 C ATOM 365 C CYS A 27 13.328 44.059 23.961 1.00 20.00 C ATOM 366 O CYS A 27 12.206 44.381 24.359 1.00 20.00 O ATOM 367 CB CYS A 27 14.787 42.025 24.385 1.00 20.00 C ATOM 368 SG CYS A 27 16.271 41.368 25.191 1.00 20.00 S ATOM 0 H CYS A 27 12.838 42.837 26.234 1.00 20.00 H new ATOM 0 HA CYS A 27 15.203 44.056 24.953 1.00 20.00 H new ATOM 0 HB2 CYS A 27 13.971 41.314 24.517 1.00 20.00 H new ATOM 0 HB3 CYS A 27 14.973 42.101 23.314 1.00 20.00 H new ATOM 373 N SER A 28 13.740 44.270 22.701 1.00 20.00 N ATOM 374 CA SER A 28 12.931 44.915 21.662 1.00 20.00 C ATOM 375 C SER A 28 12.458 43.920 20.590 1.00 20.00 C ATOM 376 O SER A 28 11.640 44.283 19.744 1.00 20.00 O ATOM 377 CB SER A 28 13.719 46.074 21.042 1.00 20.00 C ATOM 378 OG SER A 28 13.987 47.074 22.002 1.00 20.00 O ATOM 0 H SER A 28 14.664 43.990 22.372 1.00 20.00 H new ATOM 0 HA SER A 28 12.029 45.309 22.130 1.00 20.00 H new ATOM 0 HB2 SER A 28 14.656 45.701 20.629 1.00 20.00 H new ATOM 0 HB3 SER A 28 13.153 46.502 20.214 1.00 20.00 H new ATOM 0 HG SER A 28 14.492 47.802 21.584 1.00 20.00 H new ATOM 384 N THR A 29 12.928 42.664 20.651 1.00 20.00 N ATOM 385 CA THR A 29 12.507 41.555 19.798 1.00 20.00 C ATOM 386 C THR A 29 12.321 40.290 20.643 1.00 20.00 C ATOM 387 O THR A 29 11.202 39.802 20.788 1.00 20.00 O ATOM 388 CB THR A 29 13.490 41.318 18.629 1.00 20.00 C ATOM 389 OG1 THR A 29 14.828 41.230 19.074 1.00 20.00 O ATOM 390 CG2 THR A 29 13.415 42.412 17.561 1.00 20.00 C ATOM 0 H THR A 29 13.641 42.388 21.326 1.00 20.00 H new ATOM 0 HA THR A 29 11.550 41.817 19.346 1.00 20.00 H new ATOM 0 HB THR A 29 13.182 40.370 18.189 1.00 20.00 H new ATOM 0 HG1 THR A 29 15.434 41.398 18.323 1.00 20.00 H new ATOM 0 HG21 THR A 29 14.127 42.193 16.765 1.00 20.00 H new ATOM 0 HG22 THR A 29 12.407 42.448 17.147 1.00 20.00 H new ATOM 0 HG23 THR A 29 13.657 43.376 18.009 1.00 20.00 H new ATOM 398 N VAL A 30 13.430 39.758 21.171 1.00 20.00 N ATOM 399 CA VAL A 30 13.559 38.496 21.897 1.00 20.00 C ATOM 400 C VAL A 30 14.929 38.493 22.605 1.00 20.00 C ATOM 401 O VAL A 30 15.813 39.267 22.231 1.00 20.00 O ATOM 402 CB VAL A 30 13.405 37.330 20.885 1.00 20.00 C ATOM 403 CG1 VAL A 30 14.561 37.281 19.877 1.00 20.00 C ATOM 404 CG2 VAL A 30 13.249 35.957 21.549 1.00 20.00 C ATOM 0 H VAL A 30 14.327 40.238 21.094 1.00 20.00 H new ATOM 0 HA VAL A 30 12.787 38.375 22.657 1.00 20.00 H new ATOM 0 HB VAL A 30 12.477 37.547 20.356 1.00 20.00 H new ATOM 0 HG11 VAL A 30 14.409 36.449 19.190 1.00 20.00 H new ATOM 0 HG12 VAL A 30 14.594 38.214 19.315 1.00 20.00 H new ATOM 0 HG13 VAL A 30 15.502 37.145 20.409 1.00 20.00 H new ATOM 0 HG21 VAL A 30 13.146 35.191 20.781 1.00 20.00 H new ATOM 0 HG22 VAL A 30 14.128 35.745 22.158 1.00 20.00 H new ATOM 0 HG23 VAL A 30 12.361 35.958 22.182 1.00 20.00 H new ATOM 414 N CYS A 31 15.129 37.609 23.594 1.00 20.00 N ATOM 415 CA CYS A 31 16.421 37.409 24.251 1.00 20.00 C ATOM 416 C CYS A 31 17.179 36.209 23.662 1.00 20.00 C ATOM 417 O CYS A 31 16.576 35.295 23.096 1.00 20.00 O ATOM 418 CB CYS A 31 16.217 37.213 25.756 1.00 20.00 C ATOM 419 SG CYS A 31 15.307 38.533 26.598 1.00 20.00 S ATOM 0 H CYS A 31 14.389 37.010 23.960 1.00 20.00 H new ATOM 0 HA CYS A 31 17.024 38.300 24.077 1.00 20.00 H new ATOM 0 HB2 CYS A 31 15.688 36.273 25.914 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.195 37.112 26.227 1.00 20.00 H new ATOM 424 N CYS A 32 18.508 36.206 23.839 1.00 20.00 N ATOM 425 CA CYS A 32 19.421 35.171 23.368 1.00 20.00 C ATOM 426 C CYS A 32 20.583 35.007 24.359 1.00 20.00 C ATOM 427 O CYS A 32 21.319 35.966 24.590 1.00 20.00 O ATOM 428 CB CYS A 32 19.904 35.560 21.965 1.00 20.00 C ATOM 429 SG CYS A 32 20.717 34.212 21.076 1.00 20.00 S ATOM 0 H CYS A 32 18.989 36.957 24.334 1.00 20.00 H new ATOM 0 HA CYS A 32 18.919 34.205 23.308 1.00 20.00 H new ATOM 0 HB2 CYS A 32 19.052 35.907 21.380 1.00 20.00 H new ATOM 0 HB3 CYS A 32 20.596 36.398 22.048 1.00 20.00 H new ATOM 434 N ASP A 33 20.727 33.813 24.962 1.00 20.00 N ATOM 435 CA ASP A 33 21.731 33.519 25.990 1.00 20.00 C ATOM 436 C ASP A 33 23.167 33.479 25.441 1.00 20.00 C ATOM 437 O ASP A 33 23.638 32.461 24.942 1.00 20.00 O ATOM 438 CB ASP A 33 21.385 32.268 26.822 1.00 20.00 C ATOM 439 CG ASP A 33 20.839 31.067 26.046 1.00 20.00 C ATOM 440 OD1 ASP A 33 19.785 30.547 26.474 1.00 20.00 O ATOM 441 OD2 ASP A 33 21.496 30.633 25.078 1.00 20.00 O ATOM 0 H ASP A 33 20.135 33.012 24.741 1.00 20.00 H new ATOM 0 HA ASP A 33 21.698 34.364 26.678 1.00 20.00 H new ATOM 0 HB2 ASP A 33 22.282 31.952 27.354 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.650 32.551 27.576 1.00 20.00 H new ATOM 446 N LEU A 34 23.884 34.600 25.582 1.00 20.00 N ATOM 447 CA LEU A 34 25.270 34.765 25.148 1.00 20.00 C ATOM 448 C LEU A 34 26.276 33.948 25.977 1.00 20.00 C ATOM 449 O LEU A 34 27.443 33.885 25.595 1.00 20.00 O ATOM 450 CB LEU A 34 25.666 36.253 25.212 1.00 20.00 C ATOM 451 CG LEU A 34 24.682 37.242 24.560 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.247 38.664 24.689 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.400 36.930 23.084 1.00 20.00 C ATOM 0 H LEU A 34 23.501 35.441 26.015 1.00 20.00 H new ATOM 0 HA LEU A 34 25.314 34.390 24.125 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.789 36.531 26.259 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.639 36.371 24.734 1.00 20.00 H new ATOM 0 HG LEU A 34 23.731 37.149 25.085 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.557 39.373 24.230 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.373 38.911 25.743 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.212 38.719 24.185 1.00 20.00 H new ATOM 0 HD21 LEU A 34 23.700 37.664 22.684 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.331 36.972 22.519 1.00 20.00 H new ATOM 0 HD23 LEU A 34 23.969 35.933 22.999 1.00 20.00 H new ATOM 465 N SER A 35 25.846 33.334 27.092 1.00 20.00 N ATOM 466 CA SER A 35 26.684 32.532 27.984 1.00 20.00 C ATOM 467 C SER A 35 26.510 31.019 27.765 1.00 20.00 C ATOM 468 O SER A 35 27.269 30.238 28.337 1.00 20.00 O ATOM 469 CB SER A 35 26.360 32.915 29.431 1.00 20.00 C ATOM 470 OG SER A 35 27.328 32.405 30.326 1.00 20.00 O ATOM 0 H SER A 35 24.876 33.387 27.402 1.00 20.00 H new ATOM 0 HA SER A 35 27.729 32.748 27.759 1.00 20.00 H new ATOM 0 HB2 SER A 35 26.315 34.000 29.521 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.376 32.532 29.699 1.00 20.00 H new ATOM 0 HG SER A 35 27.737 31.601 29.942 1.00 20.00 H new ATOM 476 N LYS A 36 25.538 30.609 26.934 1.00 20.00 N ATOM 477 CA LYS A 36 25.194 29.217 26.636 1.00 20.00 C ATOM 478 C LYS A 36 25.227 28.902 25.134 1.00 20.00 C ATOM 479 O LYS A 36 24.939 27.775 24.730 1.00 20.00 O ATOM 480 CB LYS A 36 23.803 28.910 27.212 1.00 20.00 C ATOM 481 CG LYS A 36 23.635 29.132 28.722 1.00 20.00 C ATOM 482 CD LYS A 36 24.402 28.091 29.553 1.00 20.00 C ATOM 483 CE LYS A 36 23.825 27.920 30.961 1.00 20.00 C ATOM 484 NZ LYS A 36 23.877 29.160 31.753 1.00 20.00 N ATOM 0 H LYS A 36 24.947 31.271 26.431 1.00 20.00 H new ATOM 0 HA LYS A 36 25.949 28.583 27.101 1.00 20.00 H new ATOM 0 HB2 LYS A 36 23.072 29.527 26.691 1.00 20.00 H new ATOM 0 HB3 LYS A 36 23.560 27.871 26.989 1.00 20.00 H new ATOM 0 HG2 LYS A 36 23.986 30.131 28.981 1.00 20.00 H new ATOM 0 HG3 LYS A 36 22.576 29.089 28.978 1.00 20.00 H new ATOM 0 HD2 LYS A 36 24.380 27.131 29.036 1.00 20.00 H new ATOM 0 HD3 LYS A 36 25.448 28.389 29.627 1.00 20.00 H new ATOM 0 HE2 LYS A 36 22.790 27.585 30.887 1.00 20.00 H new ATOM 0 HE3 LYS A 36 24.377 27.138 31.482 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 23.505 28.978 32.707 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 24.862 29.487 31.822 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 23.301 29.892 31.291 1.00 20.00 H new ATOM 498 N LEU A 37 25.569 29.893 24.310 1.00 20.00 N ATOM 499 CA LEU A 37 25.591 29.827 22.854 1.00 20.00 C ATOM 500 C LEU A 37 26.813 29.068 22.321 1.00 20.00 C ATOM 501 O LEU A 37 26.692 28.355 21.326 1.00 20.00 O ATOM 502 CB LEU A 37 25.571 31.266 22.310 1.00 20.00 C ATOM 503 CG LEU A 37 24.231 31.676 21.669 1.00 20.00 C ATOM 504 CD1 LEU A 37 24.335 33.155 21.287 1.00 20.00 C ATOM 505 CD2 LEU A 37 23.879 30.864 20.413 1.00 20.00 C ATOM 0 H LEU A 37 25.852 30.808 24.661 1.00 20.00 H new ATOM 0 HA LEU A 37 24.715 29.273 22.515 1.00 20.00 H new ATOM 0 HB2 LEU A 37 25.798 31.954 23.124 1.00 20.00 H new ATOM 0 HB3 LEU A 37 26.364 31.375 21.570 1.00 20.00 H new ATOM 0 HG LEU A 37 23.441 31.485 22.395 1.00 20.00 H new ATOM 0 HD11 LEU A 37 23.400 33.479 20.829 1.00 20.00 H new ATOM 0 HD12 LEU A 37 24.526 33.749 22.181 1.00 20.00 H new ATOM 0 HD13 LEU A 37 25.152 33.291 20.579 1.00 20.00 H new ATOM 0 HD21 LEU A 37 22.924 31.206 20.015 1.00 20.00 H new ATOM 0 HD22 LEU A 37 24.656 31.002 19.661 1.00 20.00 H new ATOM 0 HD23 LEU A 37 23.807 29.807 20.671 1.00 20.00 H new ATOM 517 N THR A 38 27.969 29.218 22.981 1.00 20.00 N ATOM 518 CA THR A 38 29.253 28.631 22.601 1.00 20.00 C ATOM 519 C THR A 38 29.899 27.883 23.776 1.00 20.00 C ATOM 520 O THR A 38 29.461 28.000 24.922 1.00 20.00 O ATOM 521 CB THR A 38 30.197 29.720 22.055 1.00 20.00 C ATOM 522 OG1 THR A 38 30.496 30.686 23.044 1.00 20.00 O ATOM 523 CG2 THR A 38 29.649 30.425 20.809 1.00 20.00 C ATOM 0 H THR A 38 28.033 29.777 23.832 1.00 20.00 H new ATOM 0 HA THR A 38 29.071 27.901 21.812 1.00 20.00 H new ATOM 0 HB THR A 38 31.108 29.196 21.766 1.00 20.00 H new ATOM 0 HG1 THR A 38 31.098 31.363 22.669 1.00 20.00 H new ATOM 0 HG21 THR A 38 30.361 31.180 20.475 1.00 20.00 H new ATOM 0 HG22 THR A 38 29.496 29.694 20.015 1.00 20.00 H new ATOM 0 HG23 THR A 38 28.700 30.903 21.050 1.00 20.00 H new ATOM 531 N GLY A 39 30.956 27.119 23.471 1.00 20.00 N ATOM 532 CA GLY A 39 31.687 26.273 24.408 1.00 20.00 C ATOM 533 C GLY A 39 32.223 25.019 23.715 1.00 20.00 C ATOM 534 O GLY A 39 32.292 24.957 22.487 1.00 20.00 O ATOM 0 H GLY A 39 31.336 27.076 22.525 1.00 20.00 H new ATOM 0 HA2 GLY A 39 32.515 26.835 24.841 1.00 20.00 H new ATOM 0 HA3 GLY A 39 31.032 25.986 25.231 1.00 20.00 H new ATOM 538 N CYS A 40 32.618 24.015 24.509 1.00 20.00 N ATOM 539 CA CYS A 40 32.851 22.663 24.014 1.00 20.00 C ATOM 540 C CYS A 40 31.516 21.957 23.745 1.00 20.00 C ATOM 541 O CYS A 40 31.224 21.644 22.591 1.00 20.00 O ATOM 542 CB CYS A 40 33.720 21.865 24.993 1.00 20.00 C ATOM 543 SG CYS A 40 35.482 22.250 24.879 1.00 20.00 S ATOM 0 H CYS A 40 32.783 24.123 25.510 1.00 20.00 H new ATOM 0 HA CYS A 40 33.395 22.726 23.072 1.00 20.00 H new ATOM 0 HB2 CYS A 40 33.379 22.060 26.010 1.00 20.00 H new ATOM 0 HB3 CYS A 40 33.577 20.800 24.808 1.00 20.00 H new ATOM 548 N LYS A 41 30.721 21.707 24.800 1.00 20.00 N ATOM 549 CA LYS A 41 29.465 20.942 24.787 1.00 20.00 C ATOM 550 C LYS A 41 29.584 19.535 24.154 1.00 20.00 C ATOM 551 O LYS A 41 28.575 18.923 23.805 1.00 20.00 O ATOM 552 CB LYS A 41 28.322 21.811 24.207 1.00 20.00 C ATOM 553 CG LYS A 41 27.093 21.918 25.130 1.00 20.00 C ATOM 554 CD LYS A 41 26.263 20.627 25.225 1.00 20.00 C ATOM 555 CE LYS A 41 25.127 20.728 26.252 1.00 20.00 C ATOM 556 NZ LYS A 41 24.095 21.711 25.875 1.00 20.00 N ATOM 0 H LYS A 41 30.950 22.052 25.732 1.00 20.00 H new ATOM 0 HA LYS A 41 29.208 20.712 25.821 1.00 20.00 H new ATOM 0 HB2 LYS A 41 28.704 22.812 24.009 1.00 20.00 H new ATOM 0 HB3 LYS A 41 28.011 21.393 23.250 1.00 20.00 H new ATOM 0 HG2 LYS A 41 27.426 22.197 26.130 1.00 20.00 H new ATOM 0 HG3 LYS A 41 26.452 22.723 24.771 1.00 20.00 H new ATOM 0 HD2 LYS A 41 25.843 20.397 24.246 1.00 20.00 H new ATOM 0 HD3 LYS A 41 26.918 19.798 25.494 1.00 20.00 H new ATOM 0 HE2 LYS A 41 24.663 19.749 26.369 1.00 20.00 H new ATOM 0 HE3 LYS A 41 25.544 21.001 27.221 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 23.355 21.735 26.605 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 24.528 22.653 25.789 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 23.673 21.440 24.964 1.00 20.00 H new ATOM 570 N GLY A 42 30.811 19.008 24.024 1.00 20.00 N ATOM 571 CA GLY A 42 31.125 17.657 23.575 1.00 20.00 C ATOM 572 C GLY A 42 30.984 16.637 24.708 1.00 20.00 C ATOM 573 O GLY A 42 30.193 16.833 25.630 1.00 20.00 O ATOM 0 H GLY A 42 31.649 19.546 24.242 1.00 20.00 H new ATOM 0 HA2 GLY A 42 30.462 17.383 22.754 1.00 20.00 H new ATOM 0 HA3 GLY A 42 32.143 17.630 23.186 1.00 20.00 H new ATOM 577 N LYS A 43 31.731 15.527 24.618 1.00 20.00 N ATOM 578 CA LYS A 43 31.686 14.423 25.579 1.00 20.00 C ATOM 579 C LYS A 43 32.188 14.828 26.973 1.00 20.00 C ATOM 580 O LYS A 43 31.676 14.312 27.966 1.00 20.00 O ATOM 581 CB LYS A 43 32.506 13.235 25.053 1.00 20.00 C ATOM 582 CG LYS A 43 31.939 12.646 23.751 1.00 20.00 C ATOM 583 CD LYS A 43 32.629 11.345 23.313 1.00 20.00 C ATOM 584 CE LYS A 43 31.955 10.077 23.861 1.00 20.00 C ATOM 585 NZ LYS A 43 32.167 9.888 25.306 1.00 20.00 N ATOM 0 H LYS A 43 32.395 15.372 23.859 1.00 20.00 H new ATOM 0 HA LYS A 43 30.640 14.136 25.686 1.00 20.00 H new ATOM 0 HB2 LYS A 43 33.534 13.556 24.883 1.00 20.00 H new ATOM 0 HB3 LYS A 43 32.537 12.456 25.815 1.00 20.00 H new ATOM 0 HG2 LYS A 43 30.874 12.456 23.882 1.00 20.00 H new ATOM 0 HG3 LYS A 43 32.036 13.385 22.955 1.00 20.00 H new ATOM 0 HD2 LYS A 43 32.641 11.299 22.224 1.00 20.00 H new ATOM 0 HD3 LYS A 43 33.668 11.366 23.642 1.00 20.00 H new ATOM 0 HE2 LYS A 43 30.885 10.126 23.660 1.00 20.00 H new ATOM 0 HE3 LYS A 43 32.340 9.208 23.327 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 31.950 8.904 25.563 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 33.158 10.097 25.542 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 31.542 10.529 25.835 1.00 20.00 H new ATOM 599 N GLY A 44 33.150 15.758 27.041 1.00 20.00 N ATOM 600 CA GLY A 44 33.666 16.353 28.271 1.00 20.00 C ATOM 601 C GLY A 44 35.183 16.581 28.277 1.00 20.00 C ATOM 602 O GLY A 44 35.666 17.325 29.131 1.00 20.00 O ATOM 0 H GLY A 44 33.605 16.128 26.206 1.00 20.00 H new ATOM 0 HA2 GLY A 44 33.167 17.308 28.436 1.00 20.00 H new ATOM 0 HA3 GLY A 44 33.405 15.708 29.110 1.00 20.00 H new ATOM 606 N GLY A 45 35.925 15.973 27.339 1.00 20.00 N ATOM 607 CA GLY A 45 37.379 16.058 27.225 1.00 20.00 C ATOM 608 C GLY A 45 38.102 15.030 28.098 1.00 20.00 C ATOM 609 O GLY A 45 37.495 14.343 28.922 1.00 20.00 O ATOM 0 H GLY A 45 35.508 15.388 26.615 1.00 20.00 H new ATOM 0 HA2 GLY A 45 37.667 15.911 26.184 1.00 20.00 H new ATOM 0 HA3 GLY A 45 37.703 17.060 27.507 1.00 20.00 H new ATOM 613 N GLU A 46 39.425 14.952 27.909 1.00 20.00 N ATOM 614 CA GLU A 46 40.327 14.035 28.594 1.00 20.00 C ATOM 615 C GLU A 46 41.618 14.740 29.031 1.00 20.00 C ATOM 616 O GLU A 46 41.877 15.886 28.657 1.00 20.00 O ATOM 617 CB GLU A 46 40.605 12.811 27.699 1.00 20.00 C ATOM 618 CG GLU A 46 41.352 13.098 26.386 1.00 20.00 C ATOM 619 CD GLU A 46 40.451 13.112 25.147 1.00 20.00 C ATOM 620 OE1 GLU A 46 40.755 12.333 24.216 1.00 20.00 O ATOM 621 OE2 GLU A 46 39.467 13.884 25.136 1.00 20.00 O ATOM 0 H GLU A 46 39.911 15.555 27.245 1.00 20.00 H new ATOM 0 HA GLU A 46 39.847 13.684 29.507 1.00 20.00 H new ATOM 0 HB2 GLU A 46 41.184 12.088 28.274 1.00 20.00 H new ATOM 0 HB3 GLU A 46 39.653 12.337 27.458 1.00 20.00 H new ATOM 0 HG2 GLU A 46 41.854 14.062 26.469 1.00 20.00 H new ATOM 0 HG3 GLU A 46 42.128 12.345 26.250 1.00 20.00 H new ATOM 628 N CYS A 47 42.427 14.024 29.825 1.00 20.00 N ATOM 629 CA CYS A 47 43.638 14.488 30.500 1.00 20.00 C ATOM 630 C CYS A 47 44.858 14.669 29.575 1.00 20.00 C ATOM 631 O CYS A 47 45.994 14.605 30.048 1.00 20.00 O ATOM 632 CB CYS A 47 43.945 13.517 31.644 1.00 20.00 C ATOM 633 SG CYS A 47 42.579 13.257 32.803 1.00 20.00 S ATOM 0 H CYS A 47 42.236 13.042 30.023 1.00 20.00 H new ATOM 0 HA CYS A 47 43.441 15.491 30.879 1.00 20.00 H new ATOM 0 HB2 CYS A 47 44.231 12.555 31.219 1.00 20.00 H new ATOM 0 HB3 CYS A 47 44.807 13.890 32.197 1.00 20.00 H new ATOM 638 N ASN A 48 44.642 14.903 28.271 1.00 20.00 N ATOM 639 CA ASN A 48 45.678 15.241 27.294 1.00 20.00 C ATOM 640 C ASN A 48 46.480 16.478 27.741 1.00 20.00 C ATOM 641 O ASN A 48 45.946 17.324 28.462 1.00 20.00 O ATOM 642 CB ASN A 48 45.011 15.526 25.934 1.00 20.00 C ATOM 643 CG ASN A 48 44.472 14.322 25.172 1.00 20.00 C ATOM 644 OD1 ASN A 48 43.978 14.489 24.064 1.00 20.00 O ATOM 645 ND2 ASN A 48 44.552 13.113 25.717 1.00 20.00 N ATOM 0 H ASN A 48 43.710 14.860 27.859 1.00 20.00 H new ATOM 0 HA ASN A 48 46.367 14.400 27.210 1.00 20.00 H new ATOM 0 HB2 ASN A 48 44.188 16.222 26.098 1.00 20.00 H new ATOM 0 HB3 ASN A 48 45.737 16.034 25.299 1.00 20.00 H new ATOM 0 HD21 ASN A 48 44.198 12.301 25.211 1.00 20.00 H new ATOM 0 HD22 ASN A 48 44.967 12.997 26.641 1.00 20.00 H new ATOM 652 N PRO A 49 47.743 16.614 27.292 1.00 20.00 N ATOM 653 CA PRO A 49 48.646 17.668 27.735 1.00 20.00 C ATOM 654 C PRO A 49 48.264 19.030 27.144 1.00 20.00 C ATOM 655 O PRO A 49 47.557 19.123 26.138 1.00 20.00 O ATOM 656 CB PRO A 49 50.035 17.225 27.259 1.00 20.00 C ATOM 657 CG PRO A 49 49.722 16.445 25.982 1.00 20.00 C ATOM 658 CD PRO A 49 48.404 15.756 26.320 1.00 20.00 C ATOM 0 HA PRO A 49 48.606 17.802 28.816 1.00 20.00 H new ATOM 0 HB2 PRO A 49 50.686 18.077 27.063 1.00 20.00 H new ATOM 0 HB3 PRO A 49 50.537 16.603 28.000 1.00 20.00 H new ATOM 0 HG2 PRO A 49 49.624 17.104 25.119 1.00 20.00 H new ATOM 0 HG3 PRO A 49 50.506 15.725 25.746 1.00 20.00 H new ATOM 0 HD2 PRO A 49 47.789 15.630 25.429 1.00 20.00 H new ATOM 0 HD3 PRO A 49 48.577 14.761 26.731 1.00 20.00 H new ATOM 666 N LEU A 50 48.804 20.086 27.761 1.00 20.00 N ATOM 667 CA LEU A 50 48.690 21.468 27.311 1.00 20.00 C ATOM 668 C LEU A 50 49.485 21.735 26.020 1.00 20.00 C ATOM 669 O LEU A 50 49.253 22.755 25.370 1.00 20.00 O ATOM 670 CB LEU A 50 49.153 22.406 28.439 1.00 20.00 C ATOM 671 CG LEU A 50 48.262 22.343 29.698 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.863 23.217 30.808 1.00 20.00 C ATOM 673 CD2 LEU A 50 46.834 22.835 29.418 1.00 20.00 C ATOM 0 H LEU A 50 49.351 19.994 28.617 1.00 20.00 H new ATOM 0 HA LEU A 50 47.644 21.661 27.073 1.00 20.00 H new ATOM 0 HB2 LEU A 50 50.176 22.152 28.715 1.00 20.00 H new ATOM 0 HB3 LEU A 50 49.169 23.430 28.066 1.00 20.00 H new ATOM 0 HG LEU A 50 48.218 21.299 30.007 1.00 20.00 H new ATOM 0 HD11 LEU A 50 48.229 23.168 31.693 1.00 20.00 H new ATOM 0 HD12 LEU A 50 49.861 22.855 31.056 1.00 20.00 H new ATOM 0 HD13 LEU A 50 48.926 24.249 30.464 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.242 22.773 30.331 1.00 20.00 H new ATOM 0 HD22 LEU A 50 46.866 23.869 29.076 1.00 20.00 H new ATOM 0 HD23 LEU A 50 46.379 22.212 28.648 1.00 20.00 H new ATOM 685 N ASP A 51 50.384 20.819 25.626 1.00 20.00 N ATOM 686 CA ASP A 51 51.143 20.866 24.379 1.00 20.00 C ATOM 687 C ASP A 51 50.244 20.643 23.155 1.00 20.00 C ATOM 688 O ASP A 51 50.518 21.212 22.097 1.00 20.00 O ATOM 689 CB ASP A 51 52.241 19.791 24.410 1.00 20.00 C ATOM 690 CG ASP A 51 53.232 20.013 25.552 1.00 20.00 C ATOM 691 OD1 ASP A 51 54.152 20.838 25.364 1.00 20.00 O ATOM 692 OD2 ASP A 51 53.046 19.371 26.609 1.00 20.00 O ATOM 0 H ASP A 51 50.606 19.999 26.191 1.00 20.00 H new ATOM 0 HA ASP A 51 51.585 21.858 24.292 1.00 20.00 H new ATOM 0 HB2 ASP A 51 51.782 18.808 24.515 1.00 20.00 H new ATOM 0 HB3 ASP A 51 52.776 19.793 23.461 1.00 20.00 H new ATOM 697 N ARG A 52 49.174 19.842 23.296 1.00 20.00 N ATOM 698 CA ARG A 52 48.220 19.574 22.226 1.00 20.00 C ATOM 699 C ARG A 52 47.351 20.819 21.978 1.00 20.00 C ATOM 700 O ARG A 52 46.876 21.453 22.921 1.00 20.00 O ATOM 701 CB ARG A 52 47.385 18.327 22.571 1.00 20.00 C ATOM 702 CG ARG A 52 46.591 17.836 21.352 1.00 20.00 C ATOM 703 CD ARG A 52 45.843 16.521 21.608 1.00 20.00 C ATOM 704 NE ARG A 52 45.271 16.009 20.351 1.00 20.00 N ATOM 705 CZ ARG A 52 44.189 15.233 20.192 1.00 20.00 C ATOM 706 NH1 ARG A 52 43.468 14.793 21.222 1.00 20.00 N ATOM 707 NH2 ARG A 52 43.813 14.884 18.964 1.00 20.00 N ATOM 0 H ARG A 52 48.952 19.361 24.168 1.00 20.00 H new ATOM 0 HA ARG A 52 48.748 19.360 21.297 1.00 20.00 H new ATOM 0 HB2 ARG A 52 48.042 17.532 22.924 1.00 20.00 H new ATOM 0 HB3 ARG A 52 46.699 18.559 23.386 1.00 20.00 H new ATOM 0 HG2 ARG A 52 45.874 18.603 21.060 1.00 20.00 H new ATOM 0 HG3 ARG A 52 47.273 17.701 20.512 1.00 20.00 H new ATOM 0 HD2 ARG A 52 46.524 15.784 22.033 1.00 20.00 H new ATOM 0 HD3 ARG A 52 45.050 16.681 22.338 1.00 20.00 H new ATOM 0 HE ARG A 52 45.758 16.278 19.496 1.00 20.00 H new ATOM 0 HH11 ARG A 52 43.733 15.045 22.174 1.00 20.00 H new ATOM 0 HH12 ARG A 52 42.651 14.204 21.058 1.00 20.00 H new ATOM 0 HH21 ARG A 52 44.346 15.206 18.156 1.00 20.00 H new ATOM 0 HH22 ARG A 52 42.992 14.294 18.830 1.00 20.00 H new ATOM 721 N GLN A 53 47.160 21.164 20.700 1.00 20.00 N ATOM 722 CA GLN A 53 46.430 22.347 20.242 1.00 20.00 C ATOM 723 C GLN A 53 44.916 22.100 20.264 1.00 20.00 C ATOM 724 O GLN A 53 44.380 21.404 19.402 1.00 20.00 O ATOM 725 CB GLN A 53 46.887 22.738 18.830 1.00 20.00 C ATOM 726 CG GLN A 53 48.268 23.416 18.819 1.00 20.00 C ATOM 727 CD GLN A 53 48.216 24.923 19.096 1.00 20.00 C ATOM 728 OE1 GLN A 53 47.331 25.425 19.784 1.00 20.00 O ATOM 729 NE2 GLN A 53 49.173 25.670 18.551 1.00 20.00 N ATOM 0 H GLN A 53 47.524 20.605 19.929 1.00 20.00 H new ATOM 0 HA GLN A 53 46.649 23.169 20.924 1.00 20.00 H new ATOM 0 HB2 GLN A 53 46.919 21.847 18.203 1.00 20.00 H new ATOM 0 HB3 GLN A 53 46.153 23.412 18.388 1.00 20.00 H new ATOM 0 HG2 GLN A 53 48.903 22.940 19.566 1.00 20.00 H new ATOM 0 HG3 GLN A 53 48.737 23.250 17.849 1.00 20.00 H new ATOM 0 HE21 GLN A 53 49.899 25.234 17.983 1.00 20.00 H new ATOM 0 HE22 GLN A 53 49.180 26.679 18.702 1.00 20.00 H new ATOM 738 N CYS A 54 44.243 22.675 21.267 1.00 20.00 N ATOM 739 CA CYS A 54 42.795 22.620 21.489 1.00 20.00 C ATOM 740 C CYS A 54 42.360 23.740 22.451 1.00 20.00 C ATOM 741 O CYS A 54 43.193 24.341 23.133 1.00 20.00 O ATOM 742 CB CYS A 54 42.429 21.249 22.072 1.00 20.00 C ATOM 743 SG CYS A 54 41.905 19.977 20.894 1.00 20.00 S ATOM 0 H CYS A 54 44.721 23.221 21.984 1.00 20.00 H new ATOM 0 HA CYS A 54 42.277 22.763 20.541 1.00 20.00 H new ATOM 0 HB2 CYS A 54 43.292 20.871 22.619 1.00 20.00 H new ATOM 0 HB3 CYS A 54 41.628 21.391 22.798 1.00 20.00 H new ATOM 748 N LYS A 55 41.044 24.004 22.515 1.00 20.00 N ATOM 749 CA LYS A 55 40.450 25.057 23.346 1.00 20.00 C ATOM 750 C LYS A 55 40.573 24.734 24.848 1.00 20.00 C ATOM 751 O LYS A 55 40.798 23.586 25.233 1.00 20.00 O ATOM 752 CB LYS A 55 38.984 25.276 22.913 1.00 20.00 C ATOM 753 CG LYS A 55 38.459 26.675 23.272 1.00 20.00 C ATOM 754 CD LYS A 55 37.135 27.062 22.598 1.00 20.00 C ATOM 755 CE LYS A 55 35.888 26.428 23.229 1.00 20.00 C ATOM 756 NZ LYS A 55 35.676 25.041 22.784 1.00 20.00 N ATOM 0 H LYS A 55 40.353 23.479 21.979 1.00 20.00 H new ATOM 0 HA LYS A 55 41.000 25.986 23.195 1.00 20.00 H new ATOM 0 HB2 LYS A 55 38.902 25.128 21.836 1.00 20.00 H new ATOM 0 HB3 LYS A 55 38.354 24.524 23.387 1.00 20.00 H new ATOM 0 HG2 LYS A 55 38.330 26.732 24.353 1.00 20.00 H new ATOM 0 HG3 LYS A 55 39.216 27.411 23.002 1.00 20.00 H new ATOM 0 HD2 LYS A 55 37.030 28.147 22.629 1.00 20.00 H new ATOM 0 HD3 LYS A 55 37.180 26.776 21.547 1.00 20.00 H new ATOM 0 HE2 LYS A 55 35.984 26.447 24.315 1.00 20.00 H new ATOM 0 HE3 LYS A 55 35.012 27.026 22.976 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 34.761 24.969 22.295 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 36.439 24.765 22.134 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 35.678 24.408 23.609 1.00 20.00 H new ATOM 770 N GLU A 56 40.411 25.762 25.693 1.00 20.00 N ATOM 771 CA GLU A 56 40.617 25.710 27.140 1.00 20.00 C ATOM 772 C GLU A 56 39.460 26.387 27.880 1.00 20.00 C ATOM 773 O GLU A 56 39.153 27.555 27.641 1.00 20.00 O ATOM 774 CB GLU A 56 41.953 26.384 27.493 1.00 20.00 C ATOM 775 CG GLU A 56 43.144 25.455 27.233 1.00 20.00 C ATOM 776 CD GLU A 56 44.473 26.158 27.500 1.00 20.00 C ATOM 777 OE1 GLU A 56 45.092 26.616 26.514 1.00 20.00 O ATOM 778 OE2 GLU A 56 44.856 26.243 28.688 1.00 20.00 O ATOM 0 H GLU A 56 40.122 26.686 25.371 1.00 20.00 H new ATOM 0 HA GLU A 56 40.648 24.667 27.455 1.00 20.00 H new ATOM 0 HB2 GLU A 56 42.067 27.295 26.905 1.00 20.00 H new ATOM 0 HB3 GLU A 56 41.945 26.680 28.542 1.00 20.00 H new ATOM 0 HG2 GLU A 56 43.064 24.573 27.869 1.00 20.00 H new ATOM 0 HG3 GLU A 56 43.117 25.107 26.200 1.00 20.00 H new ATOM 785 N LEU A 57 38.850 25.634 28.803 1.00 20.00 N ATOM 786 CA LEU A 57 37.790 26.043 29.719 1.00 20.00 C ATOM 787 C LEU A 57 38.139 25.660 31.162 1.00 20.00 C ATOM 788 O LEU A 57 39.116 24.957 31.411 1.00 20.00 O ATOM 789 CB LEU A 57 36.442 25.510 29.197 1.00 20.00 C ATOM 790 CG LEU A 57 36.295 23.994 28.929 1.00 20.00 C ATOM 791 CD1 LEU A 57 36.144 23.165 30.206 1.00 20.00 C ATOM 792 CD2 LEU A 57 35.044 23.761 28.070 1.00 20.00 C ATOM 0 H LEU A 57 39.105 24.655 28.935 1.00 20.00 H new ATOM 0 HA LEU A 57 37.692 27.128 29.750 1.00 20.00 H new ATOM 0 HB2 LEU A 57 35.674 25.794 29.916 1.00 20.00 H new ATOM 0 HB3 LEU A 57 36.218 26.033 28.267 1.00 20.00 H new ATOM 0 HG LEU A 57 37.209 23.674 28.428 1.00 20.00 H new ATOM 0 HD11 LEU A 57 36.045 22.111 29.946 1.00 20.00 H new ATOM 0 HD12 LEU A 57 37.023 23.303 30.835 1.00 20.00 H new ATOM 0 HD13 LEU A 57 35.256 23.490 30.748 1.00 20.00 H new ATOM 0 HD21 LEU A 57 34.930 22.695 27.875 1.00 20.00 H new ATOM 0 HD22 LEU A 57 34.165 24.129 28.600 1.00 20.00 H new ATOM 0 HD23 LEU A 57 35.147 24.294 27.125 1.00 20.00 H new ATOM 804 N GLN A 58 37.339 26.144 32.115 1.00 20.00 N ATOM 805 CA GLN A 58 37.513 25.910 33.548 1.00 20.00 C ATOM 806 C GLN A 58 36.371 25.066 34.137 1.00 20.00 C ATOM 807 O GLN A 58 36.421 24.693 35.308 1.00 20.00 O ATOM 808 CB GLN A 58 37.640 27.264 34.270 1.00 20.00 C ATOM 809 CG GLN A 58 38.924 28.016 33.882 1.00 20.00 C ATOM 810 CD GLN A 58 39.034 29.364 34.591 1.00 20.00 C ATOM 811 OE1 GLN A 58 38.865 30.410 33.970 1.00 20.00 O ATOM 812 NE2 GLN A 58 39.331 29.356 35.887 1.00 20.00 N ATOM 0 H GLN A 58 36.529 26.726 31.903 1.00 20.00 H new ATOM 0 HA GLN A 58 38.427 25.335 33.698 1.00 20.00 H new ATOM 0 HB2 GLN A 58 36.774 27.882 34.033 1.00 20.00 H new ATOM 0 HB3 GLN A 58 37.629 27.101 35.348 1.00 20.00 H new ATOM 0 HG2 GLN A 58 39.791 27.404 34.130 1.00 20.00 H new ATOM 0 HG3 GLN A 58 38.941 28.171 32.803 1.00 20.00 H new ATOM 0 HE21 GLN A 58 39.465 28.470 36.374 1.00 20.00 H new ATOM 0 HE22 GLN A 58 39.425 30.236 36.394 1.00 20.00 H new ATOM 821 N ALA A 59 35.347 24.761 33.330 1.00 20.00 N ATOM 822 CA ALA A 59 34.123 24.082 33.734 1.00 20.00 C ATOM 823 C ALA A 59 34.320 22.573 33.978 1.00 20.00 C ATOM 824 O ALA A 59 33.695 22.022 34.884 1.00 20.00 O ATOM 825 CB ALA A 59 33.078 24.350 32.647 1.00 20.00 C ATOM 0 H ALA A 59 35.356 24.993 32.337 1.00 20.00 H new ATOM 0 HA ALA A 59 33.792 24.474 34.696 1.00 20.00 H new ATOM 0 HB1 ALA A 59 32.143 23.857 32.912 1.00 20.00 H new ATOM 0 HB2 ALA A 59 32.910 25.424 32.560 1.00 20.00 H new ATOM 0 HB3 ALA A 59 33.436 23.960 31.694 1.00 20.00 H new ATOM 831 N GLU A 60 35.199 21.915 33.203 1.00 20.00 N ATOM 832 CA GLU A 60 35.495 20.478 33.282 1.00 20.00 C ATOM 833 C GLU A 60 36.992 20.197 33.148 1.00 20.00 C ATOM 834 O GLU A 60 37.508 19.294 33.805 1.00 20.00 O ATOM 835 CB GLU A 60 34.772 19.715 32.160 1.00 20.00 C ATOM 836 CG GLU A 60 33.250 19.831 32.221 1.00 20.00 C ATOM 837 CD GLU A 60 32.588 18.851 31.250 1.00 20.00 C ATOM 838 OE1 GLU A 60 32.503 17.655 31.608 1.00 20.00 O ATOM 839 OE2 GLU A 60 32.172 19.300 30.159 1.00 20.00 O ATOM 0 H GLU A 60 35.741 22.388 32.480 1.00 20.00 H new ATOM 0 HA GLU A 60 35.150 20.143 34.260 1.00 20.00 H new ATOM 0 HB2 GLU A 60 35.118 20.090 31.197 1.00 20.00 H new ATOM 0 HB3 GLU A 60 35.050 18.662 32.211 1.00 20.00 H new ATOM 0 HG2 GLU A 60 32.907 19.631 33.236 1.00 20.00 H new ATOM 0 HG3 GLU A 60 32.949 20.850 31.977 1.00 20.00 H new ATOM 846 N SER A 61 37.679 20.970 32.298 1.00 20.00 N ATOM 847 CA SER A 61 39.088 20.833 31.963 1.00 20.00 C ATOM 848 C SER A 61 39.951 21.670 32.920 1.00 20.00 C ATOM 849 O SER A 61 40.832 22.421 32.513 1.00 20.00 O ATOM 850 CB SER A 61 39.319 21.058 30.464 1.00 20.00 C ATOM 851 OG SER A 61 39.268 22.404 30.057 1.00 20.00 O ATOM 0 H SER A 61 37.238 21.746 31.804 1.00 20.00 H new ATOM 0 HA SER A 61 39.422 19.808 32.125 1.00 20.00 H new ATOM 0 HB2 SER A 61 40.292 20.648 30.195 1.00 20.00 H new ATOM 0 HB3 SER A 61 38.570 20.495 29.906 1.00 20.00 H new ATOM 0 HG SER A 61 39.155 22.979 30.842 1.00 20.00 H new ATOM 857 N ALA A 62 39.678 21.519 34.219 1.00 20.00 N ATOM 858 CA ALA A 62 40.376 22.149 35.334 1.00 20.00 C ATOM 859 C ALA A 62 40.780 21.128 36.411 1.00 20.00 C ATOM 860 O ALA A 62 41.505 21.494 37.335 1.00 20.00 O ATOM 861 CB ALA A 62 39.466 23.227 35.912 1.00 20.00 C ATOM 0 H ALA A 62 38.918 20.917 34.535 1.00 20.00 H new ATOM 0 HA ALA A 62 41.304 22.593 34.974 1.00 20.00 H new ATOM 0 HB1 ALA A 62 39.966 23.714 36.749 1.00 20.00 H new ATOM 0 HB2 ALA A 62 39.243 23.966 35.142 1.00 20.00 H new ATOM 0 HB3 ALA A 62 38.538 22.772 36.258 1.00 20.00 H new ATOM 867 N SER A 63 40.333 19.864 36.304 1.00 20.00 N ATOM 868 CA SER A 63 40.578 18.810 37.281 1.00 20.00 C ATOM 869 C SER A 63 41.019 17.509 36.600 1.00 20.00 C ATOM 870 O SER A 63 40.205 16.612 36.382 1.00 20.00 O ATOM 871 CB SER A 63 39.328 18.606 38.146 1.00 20.00 C ATOM 872 OG SER A 63 39.069 19.737 38.955 1.00 20.00 O ATOM 0 H SER A 63 39.777 19.548 35.510 1.00 20.00 H new ATOM 0 HA SER A 63 41.399 19.115 37.930 1.00 20.00 H new ATOM 0 HB2 SER A 63 38.468 18.411 37.505 1.00 20.00 H new ATOM 0 HB3 SER A 63 39.460 17.728 38.778 1.00 20.00 H new ATOM 0 HG SER A 63 38.266 19.577 39.493 1.00 20.00 H new ATOM 878 N CYS A 64 42.324 17.393 36.313 1.00 20.00 N ATOM 879 CA CYS A 64 42.997 16.100 36.161 1.00 20.00 C ATOM 880 C CYS A 64 44.413 16.085 36.759 1.00 20.00 C ATOM 881 O CYS A 64 44.696 15.234 37.602 1.00 20.00 O ATOM 882 CB CYS A 64 42.999 15.616 34.706 1.00 20.00 C ATOM 883 SG CYS A 64 43.322 13.835 34.604 1.00 20.00 S ATOM 0 H CYS A 64 42.940 18.195 36.180 1.00 20.00 H new ATOM 0 HA CYS A 64 42.407 15.391 36.742 1.00 20.00 H new ATOM 0 HB2 CYS A 64 42.037 15.840 34.245 1.00 20.00 H new ATOM 0 HB3 CYS A 64 43.757 16.158 34.141 1.00 20.00 H new ATOM 888 N GLY A 65 45.299 17.001 36.340 1.00 20.00 N ATOM 889 CA GLY A 65 46.658 17.110 36.866 1.00 20.00 C ATOM 890 C GLY A 65 47.580 17.882 35.925 1.00 20.00 C ATOM 891 O GLY A 65 47.834 19.063 36.158 1.00 20.00 O ATOM 0 H GLY A 65 45.085 17.691 35.620 1.00 20.00 H new ATOM 0 HA2 GLY A 65 46.632 17.608 37.835 1.00 20.00 H new ATOM 0 HA3 GLY A 65 47.063 16.112 37.031 1.00 20.00 H new ATOM 895 N LYS A 66 48.090 17.201 34.887 1.00 20.00 N ATOM 896 CA LYS A 66 49.021 17.718 33.879 1.00 20.00 C ATOM 897 C LYS A 66 48.277 18.531 32.812 1.00 20.00 C ATOM 898 O LYS A 66 48.248 18.172 31.634 1.00 20.00 O ATOM 899 CB LYS A 66 49.827 16.540 33.299 1.00 20.00 C ATOM 900 CG LYS A 66 51.088 17.003 32.549 1.00 20.00 C ATOM 901 CD LYS A 66 51.511 16.038 31.433 1.00 20.00 C ATOM 902 CE LYS A 66 51.830 14.624 31.933 1.00 20.00 C ATOM 903 NZ LYS A 66 53.025 14.595 32.793 1.00 20.00 N ATOM 0 H LYS A 66 47.850 16.224 34.722 1.00 20.00 H new ATOM 0 HA LYS A 66 49.727 18.413 34.334 1.00 20.00 H new ATOM 0 HB2 LYS A 66 50.115 15.868 34.107 1.00 20.00 H new ATOM 0 HB3 LYS A 66 49.193 15.969 32.620 1.00 20.00 H new ATOM 0 HG2 LYS A 66 50.907 17.989 32.120 1.00 20.00 H new ATOM 0 HG3 LYS A 66 51.908 17.110 33.259 1.00 20.00 H new ATOM 0 HD2 LYS A 66 50.714 15.981 30.692 1.00 20.00 H new ATOM 0 HD3 LYS A 66 52.388 16.442 30.928 1.00 20.00 H new ATOM 0 HE2 LYS A 66 50.976 14.235 32.487 1.00 20.00 H new ATOM 0 HE3 LYS A 66 51.983 13.964 31.079 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 53.203 13.620 33.108 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 53.847 14.941 32.257 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 52.871 15.204 33.622 1.00 20.00 H new ATOM 917 N GLY A 67 47.706 19.656 33.260 1.00 20.00 N ATOM 918 CA GLY A 67 46.971 20.646 32.515 1.00 20.00 C ATOM 919 C GLY A 67 45.956 20.026 31.572 1.00 20.00 C ATOM 920 O GLY A 67 46.176 19.915 30.367 1.00 20.00 O ATOM 0 H GLY A 67 47.761 19.905 34.248 1.00 20.00 H new ATOM 0 HA2 GLY A 67 46.458 21.312 33.209 1.00 20.00 H new ATOM 0 HA3 GLY A 67 47.668 21.258 31.942 1.00 20.00 H new ATOM 924 N GLN A 68 44.833 19.625 32.159 1.00 20.00 N ATOM 925 CA GLN A 68 43.690 19.154 31.398 1.00 20.00 C ATOM 926 C GLN A 68 43.155 20.298 30.533 1.00 20.00 C ATOM 927 O GLN A 68 42.991 21.422 31.004 1.00 20.00 O ATOM 928 CB GLN A 68 42.612 18.595 32.335 1.00 20.00 C ATOM 929 CG GLN A 68 41.531 17.859 31.523 1.00 20.00 C ATOM 930 CD GLN A 68 40.611 16.986 32.373 1.00 20.00 C ATOM 931 OE1 GLN A 68 40.453 15.800 32.101 1.00 20.00 O ATOM 932 NE2 GLN A 68 39.999 17.551 33.407 1.00 20.00 N ATOM 0 H GLN A 68 44.694 19.619 33.169 1.00 20.00 H new ATOM 0 HA GLN A 68 43.995 18.339 30.741 1.00 20.00 H new ATOM 0 HB2 GLN A 68 43.064 17.913 33.055 1.00 20.00 H new ATOM 0 HB3 GLN A 68 42.159 19.406 32.905 1.00 20.00 H new ATOM 0 HG2 GLN A 68 40.928 18.593 30.988 1.00 20.00 H new ATOM 0 HG3 GLN A 68 42.015 17.236 30.771 1.00 20.00 H new ATOM 0 HE21 GLN A 68 40.148 18.539 33.610 1.00 20.00 H new ATOM 0 HE22 GLN A 68 39.379 16.997 33.998 1.00 20.00 H new ATOM 941 N LYS A 69 42.888 19.987 29.263 1.00 20.00 N ATOM 942 CA LYS A 69 42.205 20.879 28.326 1.00 20.00 C ATOM 943 C LYS A 69 41.260 20.096 27.402 1.00 20.00 C ATOM 944 O LYS A 69 41.646 19.084 26.816 1.00 20.00 O ATOM 945 CB LYS A 69 43.211 21.778 27.591 1.00 20.00 C ATOM 946 CG LYS A 69 44.276 21.057 26.755 1.00 20.00 C ATOM 947 CD LYS A 69 43.900 20.974 25.280 1.00 20.00 C ATOM 948 CE LYS A 69 44.808 19.967 24.584 1.00 20.00 C ATOM 949 NZ LYS A 69 44.449 18.588 24.943 1.00 20.00 N ATOM 0 H LYS A 69 43.146 19.091 28.850 1.00 20.00 H new ATOM 0 HA LYS A 69 41.561 21.558 28.885 1.00 20.00 H new ATOM 0 HB2 LYS A 69 42.656 22.449 26.935 1.00 20.00 H new ATOM 0 HB3 LYS A 69 43.717 22.400 28.329 1.00 20.00 H new ATOM 0 HG2 LYS A 69 45.228 21.579 26.856 1.00 20.00 H new ATOM 0 HG3 LYS A 69 44.422 20.050 27.147 1.00 20.00 H new ATOM 0 HD2 LYS A 69 42.857 20.674 25.175 1.00 20.00 H new ATOM 0 HD3 LYS A 69 43.998 21.954 24.812 1.00 20.00 H new ATOM 0 HE2 LYS A 69 44.736 20.095 23.504 1.00 20.00 H new ATOM 0 HE3 LYS A 69 45.845 20.158 24.859 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 44.662 17.955 24.146 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 44.997 18.292 25.776 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 43.433 18.539 25.162 1.00 20.00 H new ATOM 963 N CYS A 70 40.015 20.586 27.302 1.00 20.00 N ATOM 964 CA CYS A 70 38.931 20.048 26.475 1.00 20.00 C ATOM 965 C CYS A 70 39.361 19.886 25.009 1.00 20.00 C ATOM 966 O CYS A 70 39.734 20.869 24.370 1.00 20.00 O ATOM 967 CB CYS A 70 37.711 20.975 26.562 1.00 20.00 C ATOM 968 SG CYS A 70 36.390 20.505 25.410 1.00 20.00 S ATOM 0 H CYS A 70 39.725 21.412 27.825 1.00 20.00 H new ATOM 0 HA CYS A 70 38.675 19.059 26.856 1.00 20.00 H new ATOM 0 HB2 CYS A 70 37.321 20.961 27.580 1.00 20.00 H new ATOM 0 HB3 CYS A 70 38.022 21.999 26.353 1.00 20.00 H new ATOM 973 N CYS A 71 39.316 18.651 24.485 1.00 20.00 N ATOM 974 CA CYS A 71 39.845 18.309 23.167 1.00 20.00 C ATOM 975 C CYS A 71 39.200 17.011 22.649 1.00 20.00 C ATOM 976 O CYS A 71 39.761 15.938 22.862 1.00 20.00 O ATOM 977 CB CYS A 71 41.374 18.203 23.318 1.00 20.00 C ATOM 978 SG CYS A 71 42.398 18.230 21.825 1.00 20.00 S ATOM 0 H CYS A 71 38.905 17.857 24.975 1.00 20.00 H new ATOM 0 HA CYS A 71 39.608 19.069 22.423 1.00 20.00 H new ATOM 0 HB2 CYS A 71 41.701 19.023 23.958 1.00 20.00 H new ATOM 0 HB3 CYS A 71 41.590 17.277 23.851 1.00 20.00 H new ATOM 983 N VAL A 72 38.023 17.096 21.995 1.00 20.00 N ATOM 984 CA VAL A 72 37.234 15.930 21.538 1.00 20.00 C ATOM 985 C VAL A 72 36.817 16.025 20.052 1.00 20.00 C ATOM 986 O VAL A 72 36.001 15.239 19.573 1.00 20.00 O ATOM 987 CB VAL A 72 36.022 15.637 22.465 1.00 20.00 C ATOM 988 CG1 VAL A 72 35.613 14.151 22.416 1.00 20.00 C ATOM 989 CG2 VAL A 72 36.303 15.919 23.943 1.00 20.00 C ATOM 0 H VAL A 72 37.587 17.989 21.766 1.00 20.00 H new ATOM 0 HA VAL A 72 37.904 15.073 21.610 1.00 20.00 H new ATOM 0 HB VAL A 72 35.241 16.298 22.088 1.00 20.00 H new ATOM 0 HG11 VAL A 72 34.762 13.986 23.077 1.00 20.00 H new ATOM 0 HG12 VAL A 72 35.337 13.883 21.396 1.00 20.00 H new ATOM 0 HG13 VAL A 72 36.450 13.532 22.740 1.00 20.00 H new ATOM 0 HG21 VAL A 72 35.414 15.693 24.532 1.00 20.00 H new ATOM 0 HG22 VAL A 72 37.131 15.296 24.281 1.00 20.00 H new ATOM 0 HG23 VAL A 72 36.564 16.970 24.070 1.00 20.00 H new ATOM 999 N TRP A 73 37.371 16.985 19.306 1.00 20.00 N ATOM 1000 CA TRP A 73 37.174 17.169 17.871 1.00 20.00 C ATOM 1001 C TRP A 73 38.133 16.282 17.069 1.00 20.00 C ATOM 1002 O TRP A 73 38.959 15.561 17.634 1.00 20.00 O ATOM 1003 CB TRP A 73 37.378 18.652 17.538 1.00 20.00 C ATOM 1004 CG TRP A 73 36.582 19.574 18.401 1.00 20.00 C ATOM 1005 CD1 TRP A 73 35.242 19.753 18.364 1.00 20.00 C ATOM 1006 CD2 TRP A 73 37.056 20.361 19.524 1.00 20.00 C ATOM 1007 NE1 TRP A 73 34.861 20.611 19.375 1.00 20.00 N ATOM 1008 CE2 TRP A 73 35.942 20.999 20.144 1.00 20.00 C ATOM 1009 CE3 TRP A 73 38.325 20.553 20.095 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 36.085 21.791 21.289 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 38.482 21.352 21.244 1.00 20.00 C ATOM 1012 CH2 TRP A 73 37.368 21.960 21.843 1.00 20.00 C ATOM 0 H TRP A 73 37.996 17.684 19.706 1.00 20.00 H new ATOM 0 HA TRP A 73 36.162 16.872 17.596 1.00 20.00 H new ATOM 0 HB2 TRP A 73 38.436 18.896 17.639 1.00 20.00 H new ATOM 0 HB3 TRP A 73 37.110 18.822 16.495 1.00 20.00 H new ATOM 0 HD1 TRP A 73 34.572 19.294 17.652 1.00 20.00 H new ATOM 0 HE1 TRP A 73 33.902 20.920 19.535 1.00 20.00 H new ATOM 0 HE3 TRP A 73 39.189 20.083 19.648 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 35.225 22.265 21.740 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 39.465 21.498 21.667 1.00 20.00 H new ATOM 0 HH2 TRP A 73 37.495 22.560 22.732 1.00 20.00 H new ATOM 1023 N LEU A 74 38.016 16.353 15.740 1.00 20.00 N ATOM 1024 CA LEU A 74 38.879 15.636 14.810 1.00 20.00 C ATOM 1025 C LEU A 74 40.168 16.424 14.537 1.00 20.00 C ATOM 1026 O LEU A 74 41.229 15.815 14.405 1.00 20.00 O ATOM 1027 CB LEU A 74 38.072 15.347 13.531 1.00 20.00 C ATOM 1028 CG LEU A 74 38.788 14.466 12.481 1.00 20.00 C ATOM 1029 CD1 LEU A 74 37.763 13.628 11.704 1.00 20.00 C ATOM 1030 CD2 LEU A 74 39.591 15.287 11.460 1.00 20.00 C ATOM 0 H LEU A 74 37.306 16.921 15.277 1.00 20.00 H new ATOM 0 HA LEU A 74 39.200 14.687 15.240 1.00 20.00 H new ATOM 0 HB2 LEU A 74 37.138 14.861 13.813 1.00 20.00 H new ATOM 0 HB3 LEU A 74 37.809 16.297 13.065 1.00 20.00 H new ATOM 0 HG LEU A 74 39.478 13.833 13.039 1.00 20.00 H new ATOM 0 HD11 LEU A 74 38.280 13.012 10.968 1.00 20.00 H new ATOM 0 HD12 LEU A 74 37.218 12.986 12.396 1.00 20.00 H new ATOM 0 HD13 LEU A 74 37.062 14.290 11.195 1.00 20.00 H new ATOM 0 HD21 LEU A 74 40.071 14.614 10.749 1.00 20.00 H new ATOM 0 HD22 LEU A 74 38.920 15.960 10.926 1.00 20.00 H new ATOM 0 HD23 LEU A 74 40.352 15.869 11.979 1.00 20.00 H new ATOM 1042 N HIS A 75 40.080 17.762 14.472 1.00 20.00 N ATOM 1043 CA HIS A 75 41.180 18.666 14.157 1.00 20.00 C ATOM 1044 C HIS A 75 41.083 19.920 15.028 1.00 20.00 C ATOM 1045 O HIS A 75 40.124 20.698 14.840 1.00 20.00 O ATOM 1046 CB HIS A 75 41.148 18.992 12.654 1.00 20.00 C ATOM 1047 CG HIS A 75 42.287 19.845 12.152 1.00 20.00 C ATOM 1048 ND1 HIS A 75 42.242 20.649 11.028 1.00 20.00 N ATOM 1049 CD2 HIS A 75 43.545 19.934 12.684 1.00 20.00 C ATOM 1050 CE1 HIS A 75 43.450 21.221 10.888 1.00 20.00 C ATOM 1051 NE2 HIS A 75 44.258 20.804 11.884 1.00 20.00 N ATOM 1052 OXT HIS A 75 41.979 20.082 15.885 1.00 20.00 O ATOM 0 H HIS A 75 39.204 18.255 14.645 1.00 20.00 H new ATOM 0 HA HIS A 75 42.138 18.195 14.376 1.00 20.00 H new ATOM 0 HB2 HIS A 75 41.145 18.055 12.096 1.00 20.00 H new ATOM 0 HB3 HIS A 75 40.210 19.500 12.430 1.00 20.00 H new ATOM 0 HD2 HIS A 75 43.910 19.422 13.562 1.00 20.00 H new ATOM 0 HE1 HIS A 75 43.730 21.907 10.102 1.00 20.00 H new ATOM 0 HE2 HIS A 75 45.229 21.083 12.022 1.00 20.00 H new TER 1061 HIS A 75