USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 23 MET CE :methyl 178:sc= -0.311 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 30:sc= -0.333 USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= 0.121 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.0209 USER MOD Single : A 21 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.0055) USER MOD Single : A 30 SER OG : rot 180:sc= -0.167 USER MOD Single : A 35 SER OG : rot 180:sc= -0.143 USER MOD Single : A 46 HIS : no HD1:sc= -3 K(o=-3,f=-5.7!) USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.526) USER MOD Single : A 54 GLN :FLIP amide:sc= -1.61 F(o=-2.9,f=-1.6) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 59 ASN : amide:sc= -2.18 K(o=-2.2,f=-4.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 68 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ -127:sc= -0.245 (180deg=-1.99!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.789 -3.267 -9.522 1.00 0.00 N ATOM 60 CA GLY A 7 -5.083 -2.415 -8.384 1.00 0.00 C ATOM 61 C GLY A 7 -4.061 -1.310 -8.208 1.00 0.00 C ATOM 62 O GLY A 7 -3.313 -1.295 -7.230 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.072 -1.974 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.117 -3.022 -7.479 1.00 0.00 H new ATOM 66 N VAL A 8 -4.025 -0.381 -9.159 1.00 0.00 N ATOM 67 CA VAL A 8 -3.087 0.733 -9.105 1.00 0.00 C ATOM 68 C VAL A 8 -3.690 1.924 -8.369 1.00 0.00 C ATOM 69 O VAL A 8 -4.660 2.526 -8.829 1.00 0.00 O ATOM 70 CB VAL A 8 -2.661 1.178 -10.517 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.742 2.387 -10.441 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.988 0.031 -11.255 1.00 0.00 C ATOM 0 H VAL A 8 -4.635 -0.379 -9.976 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.209 0.381 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.553 1.465 -11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.451 2.687 -11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.264 3.210 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.851 2.131 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.693 0.362 -12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.104 -0.288 -10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.683 -0.804 -11.341 1.00 0.00 H new ATOM 82 N VAL A 9 -3.108 2.261 -7.222 1.00 0.00 N ATOM 83 CA VAL A 9 -3.586 3.382 -6.422 1.00 0.00 C ATOM 84 C VAL A 9 -2.498 4.436 -6.246 1.00 0.00 C ATOM 85 O VAL A 9 -1.573 4.260 -5.455 1.00 0.00 O ATOM 86 CB VAL A 9 -4.064 2.917 -5.033 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.513 4.106 -4.197 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.185 1.897 -5.170 1.00 0.00 C ATOM 0 H VAL A 9 -2.304 1.773 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.427 3.819 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.229 2.439 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.847 3.758 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.680 4.797 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.334 4.616 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.511 1.579 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.024 2.347 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.824 1.033 -5.728 1.00 0.00 H new ATOM 98 N GLU A 10 -2.618 5.531 -6.990 1.00 0.00 N ATOM 99 CA GLU A 10 -1.644 6.614 -6.916 1.00 0.00 C ATOM 100 C GLU A 10 -2.115 7.705 -5.959 1.00 0.00 C ATOM 101 O GLU A 10 -3.165 8.316 -6.164 1.00 0.00 O ATOM 102 CB GLU A 10 -1.402 7.207 -8.305 1.00 0.00 C ATOM 103 CG GLU A 10 -0.082 7.950 -8.428 1.00 0.00 C ATOM 104 CD GLU A 10 -0.201 9.416 -8.059 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.370 9.713 -6.858 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.125 10.266 -8.971 1.00 0.00 O ATOM 0 H GLU A 10 -3.379 5.692 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.709 6.202 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.428 6.405 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.217 7.889 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.659 7.476 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.284 7.865 -9.451 1.00 0.00 H new ATOM 113 N LEU A 11 -1.332 7.946 -4.914 1.00 0.00 N ATOM 114 CA LEU A 11 -1.668 8.963 -3.924 1.00 0.00 C ATOM 115 C LEU A 11 -0.673 10.119 -3.972 1.00 0.00 C ATOM 116 O LEU A 11 0.522 9.933 -4.200 1.00 0.00 O ATOM 117 CB LEU A 11 -1.689 8.352 -2.522 1.00 0.00 C ATOM 118 CG LEU A 11 -2.681 7.210 -2.303 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.395 6.499 -0.989 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.110 7.732 -2.328 1.00 0.00 C ATOM 0 H LEU A 11 -0.459 7.451 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.659 9.350 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.688 7.987 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.912 9.143 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.563 6.492 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.111 5.689 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.385 6.091 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.484 7.207 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.802 6.905 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.241 8.471 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.311 8.195 -3.294 1.00 0.00 H new ATOM 132 N PRO A 12 -1.177 11.343 -3.751 1.00 0.00 N ATOM 133 CA PRO A 12 -0.350 12.553 -3.762 1.00 0.00 C ATOM 134 C PRO A 12 0.596 12.619 -2.567 1.00 0.00 C ATOM 135 O PRO A 12 0.158 12.706 -1.420 1.00 0.00 O ATOM 136 CB PRO A 12 -1.377 13.685 -3.694 1.00 0.00 C ATOM 137 CG PRO A 12 -2.568 13.078 -3.037 1.00 0.00 C ATOM 138 CD PRO A 12 -2.592 11.639 -3.474 1.00 0.00 C ATOM 0 HA PRO A 12 0.296 12.598 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.997 14.530 -3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.621 14.058 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.497 13.155 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.482 13.592 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.994 10.990 -2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.213 11.498 -4.359 1.00 0.00 H new ATOM 146 N LYS A 13 1.895 12.577 -2.843 1.00 0.00 N ATOM 147 CA LYS A 13 2.903 12.634 -1.792 1.00 0.00 C ATOM 148 C LYS A 13 2.823 13.954 -1.032 1.00 0.00 C ATOM 149 O LYS A 13 3.278 14.991 -1.517 1.00 0.00 O ATOM 150 CB LYS A 13 4.302 12.461 -2.388 1.00 0.00 C ATOM 151 CG LYS A 13 5.405 12.403 -1.346 1.00 0.00 C ATOM 152 CD LYS A 13 5.666 10.977 -0.889 1.00 0.00 C ATOM 153 CE LYS A 13 4.800 10.607 0.305 1.00 0.00 C ATOM 154 NZ LYS A 13 5.241 9.333 0.936 1.00 0.00 N ATOM 0 H LYS A 13 2.274 12.504 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 13 2.709 11.820 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.325 11.546 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.502 13.287 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.320 12.827 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.129 13.016 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.468 10.289 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.718 10.865 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.836 11.409 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.762 10.514 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.432 8.684 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.983 8.896 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.616 9.528 1.886 1.00 0.00 H new ATOM 168 N THR A 14 2.244 13.910 0.164 1.00 0.00 N ATOM 169 CA THR A 14 2.105 15.102 0.991 1.00 0.00 C ATOM 170 C THR A 14 2.419 14.798 2.451 1.00 0.00 C ATOM 171 O THR A 14 1.971 13.788 2.995 1.00 0.00 O ATOM 172 CB THR A 14 0.684 15.689 0.895 1.00 0.00 C ATOM 173 OG1 THR A 14 -0.286 14.674 1.177 1.00 0.00 O ATOM 174 CG2 THR A 14 0.430 16.270 -0.488 1.00 0.00 C ATOM 0 H THR A 14 1.864 13.061 0.582 1.00 0.00 H new ATOM 0 HA THR A 14 2.819 15.834 0.614 1.00 0.00 H new ATOM 0 HB THR A 14 0.596 16.489 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.280 14.007 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.580 16.678 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.151 17.063 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.537 15.486 -1.237 1.00 0.00 H new ATOM 182 N ASP A 15 3.190 15.677 3.080 1.00 0.00 N ATOM 183 CA ASP A 15 3.563 15.503 4.479 1.00 0.00 C ATOM 184 C ASP A 15 2.368 15.043 5.307 1.00 0.00 C ATOM 185 O ASP A 15 2.504 14.206 6.199 1.00 0.00 O ATOM 186 CB ASP A 15 4.120 16.810 5.047 1.00 0.00 C ATOM 187 CG ASP A 15 5.476 17.162 4.468 1.00 0.00 C ATOM 188 OD1 ASP A 15 5.611 17.152 3.227 1.00 0.00 O ATOM 189 OD2 ASP A 15 6.403 17.446 5.256 1.00 0.00 O ATOM 0 H ASP A 15 3.569 16.517 2.644 1.00 0.00 H new ATOM 0 HA ASP A 15 4.335 14.735 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.419 17.619 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.202 16.726 6.131 1.00 0.00 H new ATOM 194 N GLU A 16 1.197 15.597 5.006 1.00 0.00 N ATOM 195 CA GLU A 16 -0.022 15.243 5.725 1.00 0.00 C ATOM 196 C GLU A 16 -0.066 13.746 6.017 1.00 0.00 C ATOM 197 O GLU A 16 -0.494 13.325 7.091 1.00 0.00 O ATOM 198 CB GLU A 16 -1.254 15.653 4.916 1.00 0.00 C ATOM 199 CG GLU A 16 -1.690 17.089 5.156 1.00 0.00 C ATOM 200 CD GLU A 16 -1.881 17.402 6.628 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.985 17.145 7.151 1.00 0.00 O ATOM 202 OE2 GLU A 16 -0.925 17.903 7.256 1.00 0.00 O ATOM 0 H GLU A 16 1.067 16.292 4.270 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.024 15.780 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.043 15.519 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.079 14.985 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.945 17.766 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.623 17.275 4.625 1.00 0.00 H new ATOM 209 N GLY A 17 0.378 12.947 5.052 1.00 0.00 N ATOM 210 CA GLY A 17 0.379 11.506 5.224 1.00 0.00 C ATOM 211 C GLY A 17 -0.629 10.814 4.328 1.00 0.00 C ATOM 212 O GLY A 17 -1.485 11.464 3.726 1.00 0.00 O ATOM 0 H GLY A 17 0.737 13.272 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.375 11.119 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.159 11.267 6.265 1.00 0.00 H new ATOM 216 N LEU A 18 -0.528 9.493 4.237 1.00 0.00 N ATOM 217 CA LEU A 18 -1.438 8.711 3.406 1.00 0.00 C ATOM 218 C LEU A 18 -2.628 8.215 4.221 1.00 0.00 C ATOM 219 O LEU A 18 -3.777 8.333 3.796 1.00 0.00 O ATOM 220 CB LEU A 18 -0.700 7.524 2.785 1.00 0.00 C ATOM 221 CG LEU A 18 0.394 7.869 1.774 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.208 8.507 0.532 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.428 8.792 2.402 1.00 0.00 C ATOM 0 H LEU A 18 0.175 8.940 4.728 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.810 9.356 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.253 6.939 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.432 6.883 2.294 1.00 0.00 H new ATOM 0 HG LEU A 18 0.892 6.946 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.586 8.745 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.910 7.813 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.733 9.421 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.199 9.027 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.944 9.713 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.883 8.298 3.261 1.00 0.00 H new ATOM 235 N GLY A 19 -2.345 7.660 5.395 1.00 0.00 N ATOM 236 CA GLY A 19 -3.403 7.156 6.252 1.00 0.00 C ATOM 237 C GLY A 19 -3.595 5.658 6.116 1.00 0.00 C ATOM 238 O GLY A 19 -4.725 5.169 6.095 1.00 0.00 O ATOM 0 H GLY A 19 -1.402 7.550 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.172 7.397 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.337 7.663 6.008 1.00 0.00 H new ATOM 242 N PHE A 20 -2.489 4.928 6.021 1.00 0.00 N ATOM 243 CA PHE A 20 -2.540 3.477 5.883 1.00 0.00 C ATOM 244 C PHE A 20 -1.350 2.822 6.578 1.00 0.00 C ATOM 245 O PHE A 20 -0.255 3.381 6.616 1.00 0.00 O ATOM 246 CB PHE A 20 -2.562 3.084 4.405 1.00 0.00 C ATOM 247 CG PHE A 20 -1.200 3.060 3.771 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.423 1.914 3.811 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.697 4.184 3.136 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.831 1.890 3.229 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.556 4.166 2.552 1.00 0.00 C ATOM 252 CZ PHE A 20 1.320 3.017 2.598 1.00 0.00 C ATOM 0 H PHE A 20 -1.546 5.317 6.037 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.455 3.124 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.018 2.099 4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.195 3.784 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.801 1.029 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.291 5.085 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.428 0.991 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.937 5.049 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.299 2.999 2.141 1.00 0.00 H new ATOM 262 N ASN A 21 -1.574 1.633 7.128 1.00 0.00 N ATOM 263 CA ASN A 21 -0.521 0.901 7.823 1.00 0.00 C ATOM 264 C ASN A 21 -0.399 -0.520 7.282 1.00 0.00 C ATOM 265 O ASN A 21 -1.391 -1.130 6.882 1.00 0.00 O ATOM 266 CB ASN A 21 -0.803 0.865 9.326 1.00 0.00 C ATOM 267 CG ASN A 21 -1.258 2.209 9.861 1.00 0.00 C ATOM 268 OD1 ASN A 21 -0.440 3.051 10.232 1.00 0.00 O ATOM 269 ND2 ASN A 21 -2.569 2.416 9.904 1.00 0.00 N ATOM 0 H ASN A 21 -2.475 1.156 7.106 1.00 0.00 H new ATOM 0 HA ASN A 21 0.423 1.419 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.569 0.117 9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.098 0.553 9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.934 3.301 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.211 1.690 9.586 1.00 0.00 H new ATOM 276 N ILE A 22 0.823 -1.042 7.276 1.00 0.00 N ATOM 277 CA ILE A 22 1.075 -2.392 6.787 1.00 0.00 C ATOM 278 C ILE A 22 1.861 -3.208 7.807 1.00 0.00 C ATOM 279 O ILE A 22 2.576 -2.655 8.641 1.00 0.00 O ATOM 280 CB ILE A 22 1.848 -2.373 5.455 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.141 -1.568 5.602 1.00 0.00 C ATOM 282 CG2 ILE A 22 0.980 -1.795 4.347 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.086 -1.725 4.432 1.00 0.00 C ATOM 0 H ILE A 22 1.654 -0.550 7.604 1.00 0.00 H new ATOM 0 HA ILE A 22 0.102 -2.856 6.626 1.00 0.00 H new ATOM 0 HB ILE A 22 2.109 -3.397 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.892 -0.513 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.651 -1.878 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.540 -1.788 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.085 -2.406 4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.692 -0.776 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.981 -1.127 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.365 -2.774 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.594 -1.388 3.519 1.00 0.00 H new ATOM 295 N MET A 23 1.724 -4.528 7.732 1.00 0.00 N ATOM 296 CA MET A 23 2.425 -5.422 8.647 1.00 0.00 C ATOM 297 C MET A 23 2.939 -6.657 7.914 1.00 0.00 C ATOM 298 O MET A 23 2.269 -7.190 7.031 1.00 0.00 O ATOM 299 CB MET A 23 1.500 -5.841 9.792 1.00 0.00 C ATOM 300 CG MET A 23 0.424 -6.830 9.372 1.00 0.00 C ATOM 301 SD MET A 23 0.952 -8.545 9.544 1.00 0.00 S ATOM 302 CE MET A 23 -0.410 -9.225 10.489 1.00 0.00 C ATOM 0 H MET A 23 1.135 -5.002 7.048 1.00 0.00 H new ATOM 0 HA MET A 23 3.280 -4.884 9.058 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.098 -6.284 10.588 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.024 -4.953 10.207 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.469 -6.667 9.975 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.147 -6.641 8.335 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.247 -10.291 10.646 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.471 -8.721 11.454 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.342 -9.077 9.943 1.00 0.00 H new ATOM 312 N GLY A 24 4.133 -7.107 8.287 1.00 0.00 N ATOM 313 CA GLY A 24 4.716 -8.275 7.655 1.00 0.00 C ATOM 314 C GLY A 24 5.690 -7.912 6.552 1.00 0.00 C ATOM 315 O GLY A 24 5.661 -6.798 6.030 1.00 0.00 O ATOM 0 H GLY A 24 4.707 -6.683 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.230 -8.873 8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.921 -8.896 7.243 1.00 0.00 H new ATOM 394 N SER A 30 6.261 -14.013 4.045 1.00 0.00 N ATOM 395 CA SER A 30 4.883 -13.592 4.268 1.00 0.00 C ATOM 396 C SER A 30 4.511 -12.438 3.343 1.00 0.00 C ATOM 397 O SER A 30 5.280 -11.497 3.142 1.00 0.00 O ATOM 398 CB SER A 30 4.684 -13.176 5.727 1.00 0.00 C ATOM 399 OG SER A 30 3.307 -13.072 6.045 1.00 0.00 O ATOM 0 HA SER A 30 4.231 -14.437 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.158 -13.905 6.384 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.175 -12.219 5.906 1.00 0.00 H new ATOM 0 HG SER A 30 3.207 -12.807 6.983 1.00 0.00 H new ATOM 405 N PRO A 31 3.302 -12.509 2.766 1.00 0.00 N ATOM 406 CA PRO A 31 2.799 -11.479 1.853 1.00 0.00 C ATOM 407 C PRO A 31 2.487 -10.170 2.570 1.00 0.00 C ATOM 408 O PRO A 31 1.948 -10.172 3.678 1.00 0.00 O ATOM 409 CB PRO A 31 1.518 -12.099 1.290 1.00 0.00 C ATOM 410 CG PRO A 31 1.076 -13.068 2.332 1.00 0.00 C ATOM 411 CD PRO A 31 2.334 -13.601 2.960 1.00 0.00 C ATOM 0 HA PRO A 31 3.533 -11.217 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.758 -11.340 1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.705 -12.598 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.444 -12.581 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.488 -13.873 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.191 -13.828 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.665 -14.521 2.478 1.00 0.00 H new ATOM 419 N ILE A 32 2.828 -9.055 1.933 1.00 0.00 N ATOM 420 CA ILE A 32 2.583 -7.740 2.512 1.00 0.00 C ATOM 421 C ILE A 32 1.173 -7.254 2.193 1.00 0.00 C ATOM 422 O ILE A 32 0.753 -7.252 1.035 1.00 0.00 O ATOM 423 CB ILE A 32 3.599 -6.702 2.001 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.021 -7.118 2.383 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.276 -5.324 2.561 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.087 -6.508 1.499 1.00 0.00 C ATOM 0 H ILE A 32 3.275 -9.036 1.016 1.00 0.00 H new ATOM 0 HA ILE A 32 2.694 -7.844 3.591 1.00 0.00 H new ATOM 0 HB ILE A 32 3.533 -6.655 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.210 -6.830 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.098 -8.204 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.003 -4.601 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.276 -5.028 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.317 -5.355 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.070 -6.846 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.924 -6.816 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.037 -5.421 1.565 1.00 0.00 H new ATOM 438 N TYR A 33 0.448 -6.841 3.226 1.00 0.00 N ATOM 439 CA TYR A 33 -0.916 -6.353 3.056 1.00 0.00 C ATOM 440 C TYR A 33 -1.204 -5.198 4.011 1.00 0.00 C ATOM 441 O TYR A 33 -0.380 -4.862 4.862 1.00 0.00 O ATOM 442 CB TYR A 33 -1.918 -7.485 3.290 1.00 0.00 C ATOM 443 CG TYR A 33 -1.624 -8.309 4.524 1.00 0.00 C ATOM 444 CD1 TYR A 33 -0.773 -9.405 4.464 1.00 0.00 C ATOM 445 CD2 TYR A 33 -2.198 -7.991 5.749 1.00 0.00 C ATOM 446 CE1 TYR A 33 -0.502 -10.161 5.588 1.00 0.00 C ATOM 447 CE2 TYR A 33 -1.931 -8.740 6.878 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.083 -9.825 6.793 1.00 0.00 C ATOM 449 OH TYR A 33 -0.816 -10.574 7.915 1.00 0.00 O ATOM 0 H TYR A 33 0.781 -6.834 4.190 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.020 -5.990 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.919 -7.061 3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.923 -8.140 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.315 -9.671 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.864 -7.144 5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.161 -11.011 5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.384 -8.478 7.823 1.00 0.00 H new ATOM 0 HH TYR A 33 0.084 -10.955 7.847 1.00 0.00 H new ATOM 459 N ILE A 34 -2.379 -4.596 3.863 1.00 0.00 N ATOM 460 CA ILE A 34 -2.777 -3.480 4.712 1.00 0.00 C ATOM 461 C ILE A 34 -3.297 -3.973 6.059 1.00 0.00 C ATOM 462 O ILE A 34 -4.358 -4.592 6.138 1.00 0.00 O ATOM 463 CB ILE A 34 -3.863 -2.620 4.039 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.361 -2.085 2.697 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.272 -1.474 4.953 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.284 -1.031 2.831 1.00 0.00 C ATOM 0 H ILE A 34 -3.072 -4.862 3.163 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.888 -2.870 4.869 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.738 -3.243 3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.974 -2.915 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.202 -1.665 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.040 -0.875 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.665 -1.876 5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.404 -0.849 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.976 -0.698 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.673 -0.183 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.426 -1.452 3.355 1.00 0.00 H new ATOM 478 N SER A 35 -2.542 -3.692 7.117 1.00 0.00 N ATOM 479 CA SER A 35 -2.925 -4.108 8.461 1.00 0.00 C ATOM 480 C SER A 35 -4.057 -3.237 8.997 1.00 0.00 C ATOM 481 O SER A 35 -5.041 -3.742 9.538 1.00 0.00 O ATOM 482 CB SER A 35 -1.722 -4.036 9.402 1.00 0.00 C ATOM 483 OG SER A 35 -1.324 -2.693 9.621 1.00 0.00 O ATOM 0 H SER A 35 -1.662 -3.178 7.069 1.00 0.00 H new ATOM 0 HA SER A 35 -3.276 -5.139 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.973 -4.504 10.354 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.891 -4.600 8.979 1.00 0.00 H new ATOM 0 HG SER A 35 -0.554 -2.675 10.227 1.00 0.00 H new ATOM 489 N ARG A 36 -3.910 -1.925 8.843 1.00 0.00 N ATOM 490 CA ARG A 36 -4.919 -0.983 9.312 1.00 0.00 C ATOM 491 C ARG A 36 -5.008 0.225 8.384 1.00 0.00 C ATOM 492 O ARG A 36 -4.063 0.535 7.659 1.00 0.00 O ATOM 493 CB ARG A 36 -4.595 -0.522 10.735 1.00 0.00 C ATOM 494 CG ARG A 36 -5.693 0.316 11.369 1.00 0.00 C ATOM 495 CD ARG A 36 -5.285 0.819 12.745 1.00 0.00 C ATOM 496 NE ARG A 36 -4.145 1.729 12.679 1.00 0.00 N ATOM 497 CZ ARG A 36 -3.316 1.943 13.695 1.00 0.00 C ATOM 498 NH1 ARG A 36 -3.499 1.315 14.848 1.00 0.00 N ATOM 499 NH2 ARG A 36 -2.301 2.786 13.558 1.00 0.00 N ATOM 0 H ARG A 36 -3.102 -1.490 8.397 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.883 -1.492 9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.412 -1.397 11.358 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.671 0.057 10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.924 1.164 10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.603 -0.278 11.453 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.129 1.329 13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.035 -0.030 13.382 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.976 2.228 11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.278 0.665 14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.861 1.481 15.626 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.156 3.271 12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.665 2.950 14.339 1.00 0.00 H new ATOM 513 N VAL A 37 -6.152 0.903 8.411 1.00 0.00 N ATOM 514 CA VAL A 37 -6.365 2.076 7.573 1.00 0.00 C ATOM 515 C VAL A 37 -6.943 3.232 8.382 1.00 0.00 C ATOM 516 O VAL A 37 -7.859 3.045 9.183 1.00 0.00 O ATOM 517 CB VAL A 37 -7.311 1.763 6.398 1.00 0.00 C ATOM 518 CG1 VAL A 37 -7.555 3.009 5.562 1.00 0.00 C ATOM 519 CG2 VAL A 37 -6.744 0.639 5.544 1.00 0.00 C ATOM 0 H VAL A 37 -6.945 0.659 9.005 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.390 2.364 7.178 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.268 1.434 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.225 2.768 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.008 3.781 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.607 3.372 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.425 0.430 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.773 0.937 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.627 -0.257 6.153 1.00 0.00 H new ATOM 529 N ILE A 38 -6.402 4.426 8.167 1.00 0.00 N ATOM 530 CA ILE A 38 -6.865 5.613 8.875 1.00 0.00 C ATOM 531 C ILE A 38 -8.244 6.042 8.386 1.00 0.00 C ATOM 532 O ILE A 38 -8.455 6.309 7.203 1.00 0.00 O ATOM 533 CB ILE A 38 -5.884 6.788 8.706 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.497 6.402 9.225 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.403 8.020 9.433 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.500 5.926 10.661 1.00 0.00 C ATOM 0 H ILE A 38 -5.642 4.597 7.508 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.923 5.348 9.931 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.802 7.023 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.087 5.616 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.833 7.262 9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.699 8.842 9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.372 8.304 9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.511 7.798 10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.484 5.670 10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.880 6.718 11.306 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.138 5.047 10.752 1.00 0.00 H new ATOM 548 N PRO A 39 -9.207 6.112 9.317 1.00 0.00 N ATOM 549 CA PRO A 39 -10.582 6.511 9.005 1.00 0.00 C ATOM 550 C PRO A 39 -10.690 7.988 8.642 1.00 0.00 C ATOM 551 O PRO A 39 -11.783 8.503 8.411 1.00 0.00 O ATOM 552 CB PRO A 39 -11.339 6.223 10.304 1.00 0.00 C ATOM 553 CG PRO A 39 -10.302 6.302 11.371 1.00 0.00 C ATOM 554 CD PRO A 39 -9.027 5.808 10.746 1.00 0.00 C ATOM 0 HA PRO A 39 -10.974 5.977 8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.133 6.951 10.469 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.808 5.239 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.190 7.325 11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.578 5.690 12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.155 6.316 11.158 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.884 4.741 10.915 1.00 0.00 H new ATOM 562 N GLY A 40 -9.546 8.666 8.594 1.00 0.00 N ATOM 563 CA GLY A 40 -9.534 10.077 8.258 1.00 0.00 C ATOM 564 C GLY A 40 -8.251 10.499 7.570 1.00 0.00 C ATOM 565 O GLY A 40 -7.692 11.552 7.875 1.00 0.00 O ATOM 0 H GLY A 40 -8.628 8.262 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.381 10.300 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.666 10.665 9.167 1.00 0.00 H new ATOM 569 N GLY A 41 -7.781 9.673 6.640 1.00 0.00 N ATOM 570 CA GLY A 41 -6.557 9.983 5.923 1.00 0.00 C ATOM 571 C GLY A 41 -6.782 10.138 4.432 1.00 0.00 C ATOM 572 O GLY A 41 -7.922 10.145 3.967 1.00 0.00 O ATOM 0 H GLY A 41 -8.225 8.795 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.130 10.904 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.827 9.192 6.097 1.00 0.00 H new ATOM 576 N VAL A 42 -5.693 10.264 3.681 1.00 0.00 N ATOM 577 CA VAL A 42 -5.776 10.421 2.234 1.00 0.00 C ATOM 578 C VAL A 42 -6.304 9.152 1.573 1.00 0.00 C ATOM 579 O VAL A 42 -7.070 9.214 0.612 1.00 0.00 O ATOM 580 CB VAL A 42 -4.404 10.769 1.627 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.508 10.906 0.116 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.855 12.044 2.250 1.00 0.00 C ATOM 0 H VAL A 42 -4.742 10.260 4.051 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.468 11.242 2.044 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.711 9.957 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.529 11.152 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.855 9.965 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.214 11.699 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.885 12.276 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.545 12.867 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.742 11.904 3.325 1.00 0.00 H new ATOM 592 N ALA A 43 -5.890 8.003 2.096 1.00 0.00 N ATOM 593 CA ALA A 43 -6.323 6.719 1.559 1.00 0.00 C ATOM 594 C ALA A 43 -7.839 6.572 1.644 1.00 0.00 C ATOM 595 O ALA A 43 -8.516 6.433 0.626 1.00 0.00 O ATOM 596 CB ALA A 43 -5.638 5.579 2.298 1.00 0.00 C ATOM 0 H ALA A 43 -5.255 7.935 2.891 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.038 6.678 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.971 4.626 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.558 5.667 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.894 5.626 3.357 1.00 0.00 H new ATOM 602 N ASP A 44 -8.364 6.602 2.864 1.00 0.00 N ATOM 603 CA ASP A 44 -9.800 6.472 3.082 1.00 0.00 C ATOM 604 C ASP A 44 -10.579 7.345 2.103 1.00 0.00 C ATOM 605 O ASP A 44 -11.612 6.933 1.575 1.00 0.00 O ATOM 606 CB ASP A 44 -10.156 6.854 4.519 1.00 0.00 C ATOM 607 CG ASP A 44 -11.623 6.633 4.830 1.00 0.00 C ATOM 608 OD1 ASP A 44 -12.209 5.677 4.279 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.186 7.415 5.625 1.00 0.00 O ATOM 0 H ASP A 44 -7.817 6.715 3.717 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.076 5.431 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.549 6.268 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.906 7.902 4.686 1.00 0.00 H new ATOM 614 N ARG A 45 -10.077 8.552 1.866 1.00 0.00 N ATOM 615 CA ARG A 45 -10.728 9.484 0.952 1.00 0.00 C ATOM 616 C ARG A 45 -10.573 9.024 -0.495 1.00 0.00 C ATOM 617 O ARG A 45 -11.543 8.987 -1.252 1.00 0.00 O ATOM 618 CB ARG A 45 -10.141 10.887 1.118 1.00 0.00 C ATOM 619 CG ARG A 45 -10.429 11.512 2.473 1.00 0.00 C ATOM 620 CD ARG A 45 -10.200 13.015 2.455 1.00 0.00 C ATOM 621 NE ARG A 45 -10.275 13.597 3.792 1.00 0.00 N ATOM 622 CZ ARG A 45 -11.406 13.720 4.477 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.551 13.305 3.954 1.00 0.00 N ATOM 624 NH2 ARG A 45 -11.393 14.261 5.689 1.00 0.00 N ATOM 0 H ARG A 45 -9.222 8.908 2.294 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.790 9.511 1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.062 10.840 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.541 11.534 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.460 11.304 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.790 11.055 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.223 13.227 2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.943 13.487 1.812 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.412 13.927 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.565 12.890 3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.418 13.401 4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.514 14.582 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.262 14.355 6.215 1.00 0.00 H new ATOM 638 N HIS A 46 -9.347 8.676 -0.872 1.00 0.00 N ATOM 639 CA HIS A 46 -9.065 8.218 -2.227 1.00 0.00 C ATOM 640 C HIS A 46 -10.217 7.376 -2.767 1.00 0.00 C ATOM 641 O HIS A 46 -10.893 7.768 -3.718 1.00 0.00 O ATOM 642 CB HIS A 46 -7.769 7.407 -2.256 1.00 0.00 C ATOM 643 CG HIS A 46 -7.453 6.829 -3.601 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.108 5.734 -4.122 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.546 7.202 -4.534 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.617 5.456 -5.316 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.668 6.333 -5.590 1.00 0.00 N ATOM 0 H HIS A 46 -8.533 8.703 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.950 9.096 -2.863 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.944 8.046 -1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.841 6.597 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.855 8.029 -4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.937 4.649 -5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.115 6.360 -6.447 1.00 0.00 H new ATOM 655 N GLY A 47 -10.434 6.216 -2.155 1.00 0.00 N ATOM 656 CA GLY A 47 -11.505 5.337 -2.588 1.00 0.00 C ATOM 657 C GLY A 47 -10.987 4.089 -3.276 1.00 0.00 C ATOM 658 O GLY A 47 -11.485 3.702 -4.332 1.00 0.00 O ATOM 0 H GLY A 47 -9.887 5.869 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.107 5.050 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.162 5.878 -3.269 1.00 0.00 H new ATOM 662 N GLY A 48 -9.982 3.458 -2.675 1.00 0.00 N ATOM 663 CA GLY A 48 -9.413 2.254 -3.252 1.00 0.00 C ATOM 664 C GLY A 48 -8.322 1.657 -2.385 1.00 0.00 C ATOM 665 O GLY A 48 -7.391 1.029 -2.891 1.00 0.00 O ATOM 0 H GLY A 48 -9.553 3.759 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.202 1.516 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.006 2.484 -4.237 1.00 0.00 H new ATOM 669 N LEU A 49 -8.435 1.853 -1.076 1.00 0.00 N ATOM 670 CA LEU A 49 -7.449 1.330 -0.137 1.00 0.00 C ATOM 671 C LEU A 49 -8.111 0.917 1.174 1.00 0.00 C ATOM 672 O LEU A 49 -8.667 1.750 1.891 1.00 0.00 O ATOM 673 CB LEU A 49 -6.367 2.377 0.133 1.00 0.00 C ATOM 674 CG LEU A 49 -5.172 2.368 -0.822 1.00 0.00 C ATOM 675 CD1 LEU A 49 -4.259 3.553 -0.544 1.00 0.00 C ATOM 676 CD2 LEU A 49 -4.404 1.061 -0.703 1.00 0.00 C ATOM 0 H LEU A 49 -9.199 2.370 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.990 0.449 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.828 3.364 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.997 2.234 1.148 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.545 2.454 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.414 3.531 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.815 4.481 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.893 3.498 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.558 1.073 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.041 0.944 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.062 0.228 -0.952 1.00 0.00 H new ATOM 688 N LYS A 50 -8.047 -0.373 1.483 1.00 0.00 N ATOM 689 CA LYS A 50 -8.637 -0.898 2.709 1.00 0.00 C ATOM 690 C LYS A 50 -7.788 -2.028 3.282 1.00 0.00 C ATOM 691 O LYS A 50 -6.863 -2.514 2.629 1.00 0.00 O ATOM 692 CB LYS A 50 -10.058 -1.399 2.442 1.00 0.00 C ATOM 693 CG LYS A 50 -11.093 -0.289 2.382 1.00 0.00 C ATOM 694 CD LYS A 50 -12.469 -0.827 2.025 1.00 0.00 C ATOM 695 CE LYS A 50 -13.255 -1.214 3.268 1.00 0.00 C ATOM 696 NZ LYS A 50 -13.022 -2.634 3.652 1.00 0.00 N ATOM 0 H LYS A 50 -7.592 -1.076 0.900 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.674 -0.089 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.070 -1.947 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.339 -2.104 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.139 0.219 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.789 0.453 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.021 -0.073 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.364 -1.695 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.971 -0.563 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.319 -1.056 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.888 -3.026 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.768 -3.185 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.247 -2.684 4.343 1.00 0.00 H new ATOM 710 N ARG A 51 -8.108 -2.442 4.503 1.00 0.00 N ATOM 711 CA ARG A 51 -7.374 -3.515 5.163 1.00 0.00 C ATOM 712 C ARG A 51 -7.586 -4.843 4.440 1.00 0.00 C ATOM 713 O ARG A 51 -8.713 -5.317 4.310 1.00 0.00 O ATOM 714 CB ARG A 51 -7.814 -3.641 6.622 1.00 0.00 C ATOM 715 CG ARG A 51 -7.229 -4.851 7.333 1.00 0.00 C ATOM 716 CD ARG A 51 -7.889 -5.076 8.684 1.00 0.00 C ATOM 717 NE ARG A 51 -7.590 -6.398 9.226 1.00 0.00 N ATOM 718 CZ ARG A 51 -8.272 -7.493 8.912 1.00 0.00 C ATOM 719 NH1 ARG A 51 -9.289 -7.424 8.063 1.00 0.00 N ATOM 720 NH2 ARG A 51 -7.939 -8.661 9.446 1.00 0.00 N ATOM 0 H ARG A 51 -8.871 -2.051 5.056 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.313 -3.268 5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.523 -2.739 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.902 -3.698 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.358 -5.737 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.157 -4.711 7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.551 -4.312 9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.968 -4.961 8.584 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.814 -6.485 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.549 -6.528 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.811 -8.267 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.158 -8.719 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.464 -9.501 9.203 1.00 0.00 H new ATOM 734 N GLY A 52 -6.492 -5.437 3.972 1.00 0.00 N ATOM 735 CA GLY A 52 -6.580 -6.703 3.268 1.00 0.00 C ATOM 736 C GLY A 52 -5.786 -6.705 1.977 1.00 0.00 C ATOM 737 O GLY A 52 -5.144 -7.699 1.637 1.00 0.00 O ATOM 0 H GLY A 52 -5.547 -5.064 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.217 -7.501 3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.625 -6.921 3.048 1.00 0.00 H new ATOM 741 N ASP A 53 -5.830 -5.591 1.256 1.00 0.00 N ATOM 742 CA ASP A 53 -5.109 -5.468 -0.006 1.00 0.00 C ATOM 743 C ASP A 53 -3.641 -5.844 0.168 1.00 0.00 C ATOM 744 O ASP A 53 -2.964 -5.340 1.064 1.00 0.00 O ATOM 745 CB ASP A 53 -5.222 -4.041 -0.545 1.00 0.00 C ATOM 746 CG ASP A 53 -6.639 -3.686 -0.951 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.212 -4.405 -1.796 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.175 -2.690 -0.422 1.00 0.00 O ATOM 0 H ASP A 53 -6.357 -4.760 1.523 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.559 -6.156 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.879 -3.340 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.561 -3.927 -1.405 1.00 0.00 H new ATOM 753 N GLN A 54 -3.157 -6.733 -0.693 1.00 0.00 N ATOM 754 CA GLN A 54 -1.769 -7.177 -0.633 1.00 0.00 C ATOM 755 C GLN A 54 -0.879 -6.304 -1.511 1.00 0.00 C ATOM 756 O GLN A 54 -0.982 -6.331 -2.739 1.00 0.00 O ATOM 757 CB GLN A 54 -1.661 -8.639 -1.070 1.00 0.00 C ATOM 758 CG GLN A 54 -0.445 -9.355 -0.503 1.00 0.00 C ATOM 759 CD GLN A 54 -0.281 -10.756 -1.059 1.00 0.00 C ATOM 760 OE1 GLN A 54 0.917 -11.066 -1.539 1.00 0.00 O flip ATOM 761 NE2 GLN A 54 -1.222 -11.551 -1.057 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.705 -7.160 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.429 -7.087 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.562 -9.169 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.623 -8.682 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.450 -8.773 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.532 -9.407 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.126 -11.270 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.097 -12.490 -1.435 1.00 0.00 H new ATOM 770 N LEU A 55 -0.006 -5.531 -0.876 1.00 0.00 N ATOM 771 CA LEU A 55 0.903 -4.649 -1.600 1.00 0.00 C ATOM 772 C LEU A 55 1.730 -5.432 -2.614 1.00 0.00 C ATOM 773 O LEU A 55 2.634 -6.184 -2.247 1.00 0.00 O ATOM 774 CB LEU A 55 1.829 -3.924 -0.621 1.00 0.00 C ATOM 775 CG LEU A 55 2.536 -2.681 -1.162 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.528 -1.585 -1.469 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.579 -2.187 -0.169 1.00 0.00 C ATOM 0 H LEU A 55 0.092 -5.497 0.139 1.00 0.00 H new ATOM 0 HA LEU A 55 0.304 -3.914 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.246 -3.634 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.587 -4.629 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 55 3.043 -2.949 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.049 -0.708 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.819 -1.942 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.992 -1.318 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.073 -1.302 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.093 -1.936 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.319 -2.969 0.001 1.00 0.00 H new ATOM 789 N LEU A 56 1.416 -5.250 -3.892 1.00 0.00 N ATOM 790 CA LEU A 56 2.131 -5.938 -4.961 1.00 0.00 C ATOM 791 C LEU A 56 3.444 -5.231 -5.282 1.00 0.00 C ATOM 792 O LEU A 56 4.483 -5.871 -5.439 1.00 0.00 O ATOM 793 CB LEU A 56 1.260 -6.015 -6.217 1.00 0.00 C ATOM 794 CG LEU A 56 0.096 -7.005 -6.166 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.730 -6.923 -7.440 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.609 -8.422 -5.951 1.00 0.00 C ATOM 0 H LEU A 56 0.671 -4.632 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 56 2.358 -6.948 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.858 -5.022 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.897 -6.277 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.544 -6.740 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.554 -7.635 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.128 -5.914 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.101 -7.161 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.233 -9.113 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.272 -8.697 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.157 -8.472 -5.010 1.00 0.00 H new ATOM 808 N SER A 57 3.388 -3.906 -5.375 1.00 0.00 N ATOM 809 CA SER A 57 4.573 -3.111 -5.678 1.00 0.00 C ATOM 810 C SER A 57 4.331 -1.637 -5.369 1.00 0.00 C ATOM 811 O SER A 57 3.192 -1.170 -5.363 1.00 0.00 O ATOM 812 CB SER A 57 4.962 -3.277 -7.148 1.00 0.00 C ATOM 813 OG SER A 57 3.870 -2.984 -8.002 1.00 0.00 O ATOM 0 H SER A 57 2.536 -3.361 -5.245 1.00 0.00 H new ATOM 0 HA SER A 57 5.390 -3.468 -5.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.798 -2.618 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.302 -4.298 -7.324 1.00 0.00 H new ATOM 0 HG SER A 57 4.146 -3.096 -8.936 1.00 0.00 H new ATOM 819 N VAL A 58 5.412 -0.908 -5.111 1.00 0.00 N ATOM 820 CA VAL A 58 5.320 0.514 -4.801 1.00 0.00 C ATOM 821 C VAL A 58 6.345 1.317 -5.593 1.00 0.00 C ATOM 822 O VAL A 58 7.502 0.918 -5.714 1.00 0.00 O ATOM 823 CB VAL A 58 5.530 0.776 -3.297 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.489 2.267 -3.004 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.486 0.034 -2.477 1.00 0.00 C ATOM 0 H VAL A 58 6.362 -1.279 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 58 4.317 0.834 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 58 6.514 0.402 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.639 2.432 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.278 2.770 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.521 2.670 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.649 0.230 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.491 0.376 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.569 -1.036 -2.665 1.00 0.00 H new ATOM 835 N ASN A 59 5.911 2.452 -6.131 1.00 0.00 N ATOM 836 CA ASN A 59 6.792 3.313 -6.913 1.00 0.00 C ATOM 837 C ASN A 59 7.438 2.535 -8.056 1.00 0.00 C ATOM 838 O ASN A 59 8.572 2.811 -8.445 1.00 0.00 O ATOM 839 CB ASN A 59 7.874 3.918 -6.018 1.00 0.00 C ATOM 840 CG ASN A 59 7.362 5.091 -5.204 1.00 0.00 C ATOM 841 OD1 ASN A 59 6.784 6.033 -5.747 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.573 5.039 -3.894 1.00 0.00 N ATOM 0 H ASN A 59 4.955 2.797 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 59 6.190 4.117 -7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.255 3.151 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.711 4.245 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.251 5.799 -3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.057 4.239 -3.487 1.00 0.00 H new ATOM 849 N GLY A 60 6.706 1.562 -8.591 1.00 0.00 N ATOM 850 CA GLY A 60 7.223 0.760 -9.684 1.00 0.00 C ATOM 851 C GLY A 60 8.319 -0.189 -9.239 1.00 0.00 C ATOM 852 O GLY A 60 9.245 -0.478 -9.996 1.00 0.00 O ATOM 0 H GLY A 60 5.764 1.315 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.408 0.187 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.610 1.418 -10.462 1.00 0.00 H new ATOM 856 N VAL A 61 8.214 -0.674 -8.006 1.00 0.00 N ATOM 857 CA VAL A 61 9.204 -1.595 -7.460 1.00 0.00 C ATOM 858 C VAL A 61 8.535 -2.819 -6.846 1.00 0.00 C ATOM 859 O VAL A 61 7.560 -2.700 -6.104 1.00 0.00 O ATOM 860 CB VAL A 61 10.079 -0.912 -6.393 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.071 -1.902 -5.801 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.801 0.289 -6.986 1.00 0.00 C ATOM 0 H VAL A 61 7.453 -0.445 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 61 9.837 -1.908 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 61 9.432 -0.559 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.680 -1.401 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.529 -2.727 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.715 -2.288 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.415 0.760 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.437 -0.038 -7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.069 1.007 -7.356 1.00 0.00 H new ATOM 872 N SER A 62 9.066 -3.997 -7.159 1.00 0.00 N ATOM 873 CA SER A 62 8.519 -5.245 -6.640 1.00 0.00 C ATOM 874 C SER A 62 8.766 -5.364 -5.139 1.00 0.00 C ATOM 875 O SER A 62 9.903 -5.533 -4.697 1.00 0.00 O ATOM 876 CB SER A 62 9.138 -6.440 -7.367 1.00 0.00 C ATOM 877 OG SER A 62 8.751 -7.662 -6.763 1.00 0.00 O ATOM 0 H SER A 62 9.875 -4.113 -7.770 1.00 0.00 H new ATOM 0 HA SER A 62 7.443 -5.241 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.829 -6.434 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.224 -6.353 -7.356 1.00 0.00 H new ATOM 0 HG SER A 62 9.159 -8.410 -7.247 1.00 0.00 H new ATOM 883 N VAL A 63 7.693 -5.275 -4.360 1.00 0.00 N ATOM 884 CA VAL A 63 7.792 -5.374 -2.909 1.00 0.00 C ATOM 885 C VAL A 63 7.484 -6.789 -2.432 1.00 0.00 C ATOM 886 O VAL A 63 8.041 -7.253 -1.438 1.00 0.00 O ATOM 887 CB VAL A 63 6.834 -4.389 -2.213 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.112 -2.963 -2.663 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.387 -4.771 -2.487 1.00 0.00 C ATOM 0 H VAL A 63 6.745 -5.135 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 63 8.818 -5.120 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 63 7.004 -4.443 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.425 -2.282 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.138 -2.695 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.973 -2.888 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.723 -4.065 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.201 -4.747 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.198 -5.776 -2.109 1.00 0.00 H new ATOM 899 N GLU A 64 6.595 -7.468 -3.149 1.00 0.00 N ATOM 900 CA GLU A 64 6.213 -8.831 -2.798 1.00 0.00 C ATOM 901 C GLU A 64 7.442 -9.727 -2.679 1.00 0.00 C ATOM 902 O GLU A 64 8.018 -10.145 -3.683 1.00 0.00 O ATOM 903 CB GLU A 64 5.252 -9.400 -3.843 1.00 0.00 C ATOM 904 CG GLU A 64 3.982 -8.583 -4.012 1.00 0.00 C ATOM 905 CD GLU A 64 2.926 -8.924 -2.979 1.00 0.00 C ATOM 906 OE1 GLU A 64 3.231 -8.845 -1.771 1.00 0.00 O ATOM 907 OE2 GLU A 64 1.795 -9.269 -3.380 1.00 0.00 O ATOM 0 H GLU A 64 6.126 -7.097 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 64 5.711 -8.803 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.766 -9.459 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.984 -10.418 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.225 -7.523 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.576 -8.751 -5.010 1.00 0.00 H new ATOM 914 N GLY A 65 7.839 -10.018 -1.444 1.00 0.00 N ATOM 915 CA GLY A 65 8.997 -10.862 -1.216 1.00 0.00 C ATOM 916 C GLY A 65 10.088 -10.152 -0.440 1.00 0.00 C ATOM 917 O GLY A 65 10.762 -10.759 0.392 1.00 0.00 O ATOM 0 H GLY A 65 7.379 -9.684 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.690 -11.755 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.395 -11.194 -2.175 1.00 0.00 H new ATOM 921 N GLU A 66 10.264 -8.863 -0.713 1.00 0.00 N ATOM 922 CA GLU A 66 11.283 -8.071 -0.034 1.00 0.00 C ATOM 923 C GLU A 66 10.946 -7.902 1.444 1.00 0.00 C ATOM 924 O GLU A 66 9.902 -8.360 1.909 1.00 0.00 O ATOM 925 CB GLU A 66 11.420 -6.699 -0.698 1.00 0.00 C ATOM 926 CG GLU A 66 12.022 -6.754 -2.092 1.00 0.00 C ATOM 927 CD GLU A 66 13.235 -7.661 -2.168 1.00 0.00 C ATOM 928 OE1 GLU A 66 13.050 -8.896 -2.197 1.00 0.00 O ATOM 929 OE2 GLU A 66 14.368 -7.137 -2.198 1.00 0.00 O ATOM 0 H GLU A 66 9.715 -8.345 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 66 12.232 -8.602 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.437 -6.232 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.040 -6.061 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.267 -7.103 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.305 -5.748 -2.401 1.00 0.00 H new ATOM 936 N GLN A 67 11.836 -7.241 2.177 1.00 0.00 N ATOM 937 CA GLN A 67 11.634 -7.012 3.602 1.00 0.00 C ATOM 938 C GLN A 67 10.789 -5.765 3.839 1.00 0.00 C ATOM 939 O GLN A 67 10.939 -4.760 3.144 1.00 0.00 O ATOM 940 CB GLN A 67 12.980 -6.873 4.315 1.00 0.00 C ATOM 941 CG GLN A 67 13.860 -5.774 3.742 1.00 0.00 C ATOM 942 CD GLN A 67 15.154 -5.601 4.513 1.00 0.00 C ATOM 943 OE1 GLN A 67 15.369 -6.246 5.540 1.00 0.00 O ATOM 944 NE2 GLN A 67 16.025 -4.728 4.021 1.00 0.00 N ATOM 0 H GLN A 67 12.704 -6.855 1.807 1.00 0.00 H new ATOM 0 HA GLN A 67 11.103 -7.872 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.803 -6.672 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.513 -7.822 4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.089 -6.003 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.310 -4.833 3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.806 -4.215 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.913 -4.570 4.497 1.00 0.00 H new ATOM 953 N HIS A 68 9.899 -5.837 4.824 1.00 0.00 N ATOM 954 CA HIS A 68 9.030 -4.713 5.153 1.00 0.00 C ATOM 955 C HIS A 68 9.798 -3.396 5.092 1.00 0.00 C ATOM 956 O HIS A 68 9.350 -2.435 4.467 1.00 0.00 O ATOM 957 CB HIS A 68 8.424 -4.899 6.544 1.00 0.00 C ATOM 958 CG HIS A 68 7.408 -3.858 6.899 1.00 0.00 C ATOM 959 ND1 HIS A 68 7.020 -3.596 8.197 1.00 0.00 N ATOM 960 CD2 HIS A 68 6.700 -3.009 6.118 1.00 0.00 C ATOM 961 CE1 HIS A 68 6.116 -2.633 8.198 1.00 0.00 C ATOM 962 NE2 HIS A 68 5.904 -2.259 6.949 1.00 0.00 N ATOM 0 H HIS A 68 9.761 -6.662 5.408 1.00 0.00 H new ATOM 0 HA HIS A 68 8.227 -4.680 4.417 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.959 -5.883 6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.223 -4.882 7.285 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.376 -4.072 9.026 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.751 -2.935 5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.632 -2.221 9.072 1.00 0.00 H new ATOM 970 N GLU A 69 10.955 -3.361 5.744 1.00 0.00 N ATOM 971 CA GLU A 69 11.784 -2.161 5.764 1.00 0.00 C ATOM 972 C GLU A 69 11.825 -1.505 4.387 1.00 0.00 C ATOM 973 O GLU A 69 11.592 -0.304 4.251 1.00 0.00 O ATOM 974 CB GLU A 69 13.203 -2.502 6.222 1.00 0.00 C ATOM 975 CG GLU A 69 14.029 -1.284 6.602 1.00 0.00 C ATOM 976 CD GLU A 69 15.313 -1.651 7.320 1.00 0.00 C ATOM 977 OE1 GLU A 69 16.306 -1.970 6.633 1.00 0.00 O ATOM 978 OE2 GLU A 69 15.326 -1.620 8.568 1.00 0.00 O ATOM 0 H GLU A 69 11.340 -4.149 6.265 1.00 0.00 H new ATOM 0 HA GLU A 69 11.342 -1.457 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.148 -3.175 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.713 -3.042 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.269 -0.718 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.434 -0.631 7.240 1.00 0.00 H new ATOM 985 N LYS A 70 12.125 -2.303 3.367 1.00 0.00 N ATOM 986 CA LYS A 70 12.197 -1.803 2.000 1.00 0.00 C ATOM 987 C LYS A 70 10.943 -1.011 1.643 1.00 0.00 C ATOM 988 O LYS A 70 11.016 0.175 1.324 1.00 0.00 O ATOM 989 CB LYS A 70 12.376 -2.964 1.019 1.00 0.00 C ATOM 990 CG LYS A 70 13.048 -2.563 -0.283 1.00 0.00 C ATOM 991 CD LYS A 70 13.753 -3.741 -0.933 1.00 0.00 C ATOM 992 CE LYS A 70 14.098 -3.452 -2.386 1.00 0.00 C ATOM 993 NZ LYS A 70 12.879 -3.357 -3.236 1.00 0.00 N ATOM 0 H LYS A 70 12.322 -3.299 3.462 1.00 0.00 H new ATOM 0 HA LYS A 70 13.058 -1.138 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.967 -3.745 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.400 -3.394 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.303 -2.160 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.768 -1.767 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.664 -3.971 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.115 -4.623 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.658 -2.519 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.747 -4.239 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.972 -3.998 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.044 -3.626 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.768 -2.380 -3.576 1.00 0.00 H new ATOM 1007 N ALA A 71 9.793 -1.675 1.700 1.00 0.00 N ATOM 1008 CA ALA A 71 8.523 -1.032 1.386 1.00 0.00 C ATOM 1009 C ALA A 71 8.488 0.399 1.911 1.00 0.00 C ATOM 1010 O ALA A 71 8.291 1.346 1.150 1.00 0.00 O ATOM 1011 CB ALA A 71 7.368 -1.837 1.963 1.00 0.00 C ATOM 0 H ALA A 71 9.715 -2.658 1.961 1.00 0.00 H new ATOM 0 HA ALA A 71 8.420 -0.995 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.426 -1.346 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.374 -2.840 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.476 -1.903 3.046 1.00 0.00 H new ATOM 1017 N VAL A 72 8.680 0.550 3.218 1.00 0.00 N ATOM 1018 CA VAL A 72 8.670 1.866 3.845 1.00 0.00 C ATOM 1019 C VAL A 72 9.616 2.823 3.128 1.00 0.00 C ATOM 1020 O VAL A 72 9.216 3.908 2.707 1.00 0.00 O ATOM 1021 CB VAL A 72 9.069 1.783 5.330 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.105 3.171 5.952 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.114 0.875 6.089 1.00 0.00 C ATOM 0 H VAL A 72 8.844 -0.223 3.863 1.00 0.00 H new ATOM 0 HA VAL A 72 7.650 2.244 3.771 1.00 0.00 H new ATOM 0 HB VAL A 72 10.069 1.355 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.389 3.092 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.833 3.787 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.119 3.629 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.412 0.828 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.101 1.271 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.144 -0.126 5.658 1.00 0.00 H new ATOM 1033 N GLU A 73 10.874 2.413 2.993 1.00 0.00 N ATOM 1034 CA GLU A 73 11.877 3.235 2.327 1.00 0.00 C ATOM 1035 C GLU A 73 11.346 3.774 1.002 1.00 0.00 C ATOM 1036 O GLU A 73 11.434 4.972 0.726 1.00 0.00 O ATOM 1037 CB GLU A 73 13.153 2.426 2.086 1.00 0.00 C ATOM 1038 CG GLU A 73 13.764 1.860 3.357 1.00 0.00 C ATOM 1039 CD GLU A 73 14.744 2.816 4.009 1.00 0.00 C ATOM 1040 OE1 GLU A 73 14.507 4.040 3.952 1.00 0.00 O ATOM 1041 OE2 GLU A 73 15.749 2.338 4.577 1.00 0.00 O ATOM 0 H GLU A 73 11.222 1.518 3.336 1.00 0.00 H new ATOM 0 HA GLU A 73 12.108 4.079 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.930 1.606 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.888 3.061 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.969 1.623 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.274 0.925 3.125 1.00 0.00 H new ATOM 1048 N LEU A 74 10.796 2.883 0.185 1.00 0.00 N ATOM 1049 CA LEU A 74 10.251 3.268 -1.112 1.00 0.00 C ATOM 1050 C LEU A 74 9.310 4.460 -0.975 1.00 0.00 C ATOM 1051 O LEU A 74 9.532 5.513 -1.575 1.00 0.00 O ATOM 1052 CB LEU A 74 9.511 2.089 -1.746 1.00 0.00 C ATOM 1053 CG LEU A 74 10.303 0.787 -1.871 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.392 -0.354 -2.297 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.450 0.953 -2.857 1.00 0.00 C ATOM 0 H LEU A 74 10.716 1.889 0.398 1.00 0.00 H new ATOM 0 HA LEU A 74 11.081 3.557 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.615 1.890 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.180 2.386 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 74 10.722 0.544 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.974 -1.272 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.606 -0.489 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.943 -0.120 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.003 0.017 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.052 1.220 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.118 1.741 -2.509 1.00 0.00 H new ATOM 1067 N LEU A 75 8.259 4.289 -0.181 1.00 0.00 N ATOM 1068 CA LEU A 75 7.283 5.352 0.037 1.00 0.00 C ATOM 1069 C LEU A 75 7.971 6.709 0.137 1.00 0.00 C ATOM 1070 O LEU A 75 7.587 7.664 -0.540 1.00 0.00 O ATOM 1071 CB LEU A 75 6.479 5.080 1.310 1.00 0.00 C ATOM 1072 CG LEU A 75 5.375 4.028 1.194 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.168 3.323 2.525 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.078 4.668 0.719 1.00 0.00 C ATOM 0 H LEU A 75 8.060 3.425 0.323 1.00 0.00 H new ATOM 0 HA LEU A 75 6.605 5.370 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.170 4.768 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.028 6.016 1.638 1.00 0.00 H new ATOM 0 HG LEU A 75 5.682 3.285 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.379 2.578 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.094 2.832 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.883 4.053 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.303 3.905 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.766 5.431 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.235 5.126 -0.258 1.00 0.00 H new ATOM 1086 N LYS A 76 8.992 6.789 0.984 1.00 0.00 N ATOM 1087 CA LYS A 76 9.737 8.028 1.171 1.00 0.00 C ATOM 1088 C LYS A 76 10.512 8.393 -0.091 1.00 0.00 C ATOM 1089 O LYS A 76 10.581 9.560 -0.473 1.00 0.00 O ATOM 1090 CB LYS A 76 10.699 7.895 2.353 1.00 0.00 C ATOM 1091 CG LYS A 76 10.002 7.655 3.681 1.00 0.00 C ATOM 1092 CD LYS A 76 10.997 7.334 4.784 1.00 0.00 C ATOM 1093 CE LYS A 76 11.594 5.946 4.609 1.00 0.00 C ATOM 1094 NZ LYS A 76 12.113 5.399 5.893 1.00 0.00 N ATOM 0 H LYS A 76 9.322 6.009 1.552 1.00 0.00 H new ATOM 0 HA LYS A 76 9.023 8.824 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.387 7.072 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.299 8.802 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.426 8.539 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.294 6.833 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.795 8.077 4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.501 7.399 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.836 5.273 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.402 5.988 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.511 4.452 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.854 6.028 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.337 5.335 6.582 1.00 0.00 H new ATOM 1108 N ALA A 77 11.093 7.385 -0.734 1.00 0.00 N ATOM 1109 CA ALA A 77 11.861 7.600 -1.955 1.00 0.00 C ATOM 1110 C ALA A 77 11.135 8.552 -2.899 1.00 0.00 C ATOM 1111 O ALA A 77 11.748 9.436 -3.497 1.00 0.00 O ATOM 1112 CB ALA A 77 12.133 6.273 -2.647 1.00 0.00 C ATOM 0 H ALA A 77 11.047 6.412 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 77 12.812 8.056 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.707 6.448 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.700 5.624 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.187 5.795 -2.901 1.00 0.00 H new ATOM 1118 N ALA A 78 9.825 8.366 -3.029 1.00 0.00 N ATOM 1119 CA ALA A 78 9.016 9.210 -3.900 1.00 0.00 C ATOM 1120 C ALA A 78 8.972 10.645 -3.387 1.00 0.00 C ATOM 1121 O ALA A 78 8.922 10.880 -2.180 1.00 0.00 O ATOM 1122 CB ALA A 78 7.608 8.646 -4.020 1.00 0.00 C ATOM 0 H ALA A 78 9.302 7.638 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 78 9.477 9.220 -4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.014 9.286 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.653 7.641 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.146 8.607 -3.033 1.00 0.00 H new ATOM 1128 N GLN A 79 8.991 11.600 -4.311 1.00 0.00 N ATOM 1129 CA GLN A 79 8.955 13.012 -3.951 1.00 0.00 C ATOM 1130 C GLN A 79 7.661 13.663 -4.430 1.00 0.00 C ATOM 1131 O GLN A 79 7.125 14.557 -3.777 1.00 0.00 O ATOM 1132 CB GLN A 79 10.158 13.744 -4.547 1.00 0.00 C ATOM 1133 CG GLN A 79 9.975 14.128 -6.006 1.00 0.00 C ATOM 1134 CD GLN A 79 10.995 15.148 -6.473 1.00 0.00 C ATOM 1135 OE1 GLN A 79 12.153 15.121 -6.055 1.00 0.00 O ATOM 1136 NE2 GLN A 79 10.570 16.054 -7.346 1.00 0.00 N ATOM 0 H GLN A 79 9.031 11.421 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 79 8.997 13.084 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.350 14.645 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.040 13.111 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.051 13.234 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.972 14.531 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.601 16.039 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.212 16.765 -7.697 1.00 0.00 H new ATOM 1145 N GLY A 80 7.164 13.207 -5.576 1.00 0.00 N ATOM 1146 CA GLY A 80 5.937 13.756 -6.123 1.00 0.00 C ATOM 1147 C GLY A 80 4.718 12.936 -5.752 1.00 0.00 C ATOM 1148 O GLY A 80 3.778 13.448 -5.145 1.00 0.00 O ATOM 0 H GLY A 80 7.589 12.467 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.807 14.777 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.019 13.809 -7.209 1.00 0.00 H new ATOM 1152 N SER A 81 4.733 11.658 -6.119 1.00 0.00 N ATOM 1153 CA SER A 81 3.617 10.766 -5.826 1.00 0.00 C ATOM 1154 C SER A 81 4.090 9.318 -5.732 1.00 0.00 C ATOM 1155 O SER A 81 5.149 8.964 -6.249 1.00 0.00 O ATOM 1156 CB SER A 81 2.539 10.893 -6.904 1.00 0.00 C ATOM 1157 OG SER A 81 3.091 10.737 -8.200 1.00 0.00 O ATOM 0 H SER A 81 5.505 11.218 -6.619 1.00 0.00 H new ATOM 0 HA SER A 81 3.195 11.056 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.767 10.140 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.056 11.867 -6.826 1.00 0.00 H new ATOM 0 HG SER A 81 2.381 10.821 -8.870 1.00 0.00 H new ATOM 1163 N VAL A 82 3.296 8.485 -5.067 1.00 0.00 N ATOM 1164 CA VAL A 82 3.631 7.076 -4.904 1.00 0.00 C ATOM 1165 C VAL A 82 2.570 6.182 -5.538 1.00 0.00 C ATOM 1166 O VAL A 82 1.371 6.409 -5.373 1.00 0.00 O ATOM 1167 CB VAL A 82 3.779 6.702 -3.417 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.003 7.377 -2.817 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.522 7.075 -2.646 1.00 0.00 C ATOM 0 H VAL A 82 2.416 8.762 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 82 4.585 6.917 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 82 3.915 5.623 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.092 7.102 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.896 7.055 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.900 8.459 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.644 6.804 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.352 8.149 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.668 6.540 -3.062 1.00 0.00 H new ATOM 1179 N LYS A 83 3.020 5.164 -6.264 1.00 0.00 N ATOM 1180 CA LYS A 83 2.110 4.233 -6.922 1.00 0.00 C ATOM 1181 C LYS A 83 2.032 2.916 -6.157 1.00 0.00 C ATOM 1182 O LYS A 83 2.935 2.083 -6.241 1.00 0.00 O ATOM 1183 CB LYS A 83 2.567 3.974 -8.360 1.00 0.00 C ATOM 1184 CG LYS A 83 1.426 3.661 -9.313 1.00 0.00 C ATOM 1185 CD LYS A 83 1.846 3.836 -10.762 1.00 0.00 C ATOM 1186 CE LYS A 83 2.535 2.589 -11.297 1.00 0.00 C ATOM 1187 NZ LYS A 83 3.468 2.907 -12.413 1.00 0.00 N ATOM 0 H LYS A 83 4.009 4.963 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 83 1.117 4.683 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.105 4.849 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.272 3.142 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.087 2.638 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.581 4.314 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.970 4.059 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.519 4.689 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.085 2.104 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.784 1.879 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.917 2.032 -12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.939 3.347 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.200 3.565 -12.077 1.00 0.00 H new ATOM 1201 N LEU A 84 0.948 2.734 -5.411 1.00 0.00 N ATOM 1202 CA LEU A 84 0.751 1.517 -4.632 1.00 0.00 C ATOM 1203 C LEU A 84 -0.100 0.510 -5.400 1.00 0.00 C ATOM 1204 O LEU A 84 -1.294 0.724 -5.611 1.00 0.00 O ATOM 1205 CB LEU A 84 0.087 1.847 -3.293 1.00 0.00 C ATOM 1206 CG LEU A 84 0.694 3.013 -2.513 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -0.319 3.584 -1.533 1.00 0.00 C ATOM 1208 CD2 LEU A 84 1.953 2.569 -1.783 1.00 0.00 C ATOM 0 H LEU A 84 0.192 3.414 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 84 1.728 1.072 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.965 2.067 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.122 0.958 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 84 0.966 3.796 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.131 4.413 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.192 3.940 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.622 2.808 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.371 3.412 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.706 1.768 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.685 2.208 -2.506 1.00 0.00 H new ATOM 1220 N VAL A 85 0.522 -0.589 -5.813 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.178 -1.631 -6.555 1.00 0.00 C ATOM 1222 C VAL A 85 -0.736 -2.694 -5.615 1.00 0.00 C ATOM 1223 O VAL A 85 -0.073 -3.106 -4.663 1.00 0.00 O ATOM 1224 CB VAL A 85 0.748 -2.306 -7.584 1.00 0.00 C ATOM 1225 CG1 VAL A 85 0.013 -3.421 -8.313 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.287 -1.279 -8.569 1.00 0.00 C ATOM 0 H VAL A 85 1.510 -0.781 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.001 -1.147 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 85 1.593 -2.746 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.683 -3.886 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.320 -4.169 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.851 -3.008 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.939 -1.773 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.456 -0.809 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.852 -0.519 -8.029 1.00 0.00 H new ATOM 1236 N VAL A 86 -1.959 -3.136 -5.889 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.606 -4.153 -5.069 1.00 0.00 C ATOM 1238 C VAL A 86 -3.416 -5.117 -5.928 1.00 0.00 C ATOM 1239 O VAL A 86 -3.848 -4.773 -7.028 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.534 -3.518 -4.016 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.738 -2.635 -3.067 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.643 -2.725 -4.692 1.00 0.00 C ATOM 0 H VAL A 86 -2.522 -2.806 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.813 -4.702 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.993 -4.316 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.410 -2.195 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.984 -3.235 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.249 -1.841 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.289 -2.283 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.205 -1.934 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.230 -3.389 -5.327 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.619 -6.328 -5.418 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.377 -7.344 -6.139 1.00 0.00 C ATOM 1254 C ARG A 87 -5.753 -7.543 -5.511 1.00 0.00 C ATOM 1255 O ARG A 87 -5.872 -7.738 -4.301 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.612 -8.669 -6.150 1.00 0.00 C ATOM 1257 CG ARG A 87 -4.336 -9.783 -6.887 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.399 -10.936 -7.213 1.00 0.00 C ATOM 1259 NE ARG A 87 -2.416 -10.572 -8.230 1.00 0.00 N ATOM 1260 CZ ARG A 87 -2.654 -10.632 -9.536 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -3.835 -11.039 -9.980 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -1.709 -10.284 -10.400 1.00 0.00 N ATOM 0 H ARG A 87 -3.269 -6.629 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.511 -7.002 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.637 -8.512 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.431 -8.983 -5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.163 -10.146 -6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.767 -9.391 -7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.883 -11.251 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.981 -11.789 -7.561 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.497 -10.255 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.564 -11.307 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.015 -11.084 -10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.799 -9.970 -10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.892 -10.330 -11.402 1.00 0.00 H new