USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0635) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.14! C(o=-1.1!,f=-1!) USER MOD Single : A 30 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.4!) USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.849 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -156:sc= -0.852 (180deg=-1.18) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.028) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.39! USER MOD Single : A 71 ASN : amide:sc= -3.38! C(o=-3.4!,f=-6.5!) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.0442 (180deg=-0.565) 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) USER MOD Single : A 81 GLN : amide:sc= 0.129 K(o=0.13,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 2.686 -13.825 6.940 1.00 0.00 N ATOM 24 CA GLU A 4 3.186 -12.486 7.195 1.00 0.00 C ATOM 25 C GLU A 4 3.941 -11.959 5.973 1.00 0.00 C ATOM 26 O GLU A 4 4.058 -10.748 5.786 1.00 0.00 O ATOM 27 CB GLU A 4 4.075 -12.460 8.441 1.00 0.00 C ATOM 28 CG GLU A 4 3.602 -11.393 9.431 1.00 0.00 C ATOM 29 CD GLU A 4 2.380 -11.874 10.215 1.00 0.00 C ATOM 30 OE1 GLU A 4 2.273 -13.107 10.399 1.00 0.00 O ATOM 31 OE2 GLU A 4 1.579 -11.000 10.612 1.00 0.00 O ATOM 0 HA GLU A 4 2.335 -11.832 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.062 -13.438 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.107 -12.261 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.409 -11.150 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.356 -10.477 8.894 1.00 0.00 H new ATOM 38 N ALA A 5 4.434 -12.893 5.174 1.00 0.00 N ATOM 39 CA ALA A 5 5.173 -12.538 3.976 1.00 0.00 C ATOM 40 C ALA A 5 4.305 -11.640 3.091 1.00 0.00 C ATOM 41 O ALA A 5 4.814 -10.948 2.211 1.00 0.00 O ATOM 42 CB ALA A 5 5.618 -13.811 3.253 1.00 0.00 C ATOM 0 H ALA A 5 4.336 -13.896 5.333 1.00 0.00 H new ATOM 0 HA ALA A 5 6.072 -11.978 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.173 -13.544 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.257 -14.399 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.742 -14.398 2.978 1.00 0.00 H new ATOM 48 N ILE A 6 3.008 -11.680 3.358 1.00 0.00 N ATOM 49 CA ILE A 6 2.063 -10.878 2.599 1.00 0.00 C ATOM 50 C ILE A 6 1.996 -9.472 3.199 1.00 0.00 C ATOM 51 O ILE A 6 1.988 -8.482 2.470 1.00 0.00 O ATOM 52 CB ILE A 6 0.705 -11.579 2.522 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.568 -12.366 1.216 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.439 -10.582 2.713 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.755 -13.133 1.175 1.00 0.00 C ATOM 0 H ILE A 6 2.589 -12.255 4.089 1.00 0.00 H new ATOM 0 HA ILE A 6 2.398 -10.769 1.568 1.00 0.00 H new ATOM 0 HB ILE A 6 0.645 -12.298 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.623 -11.683 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.400 -13.063 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.393 -11.107 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.347 -10.105 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.394 -9.822 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.827 -13.684 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.796 -13.832 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.585 -12.431 1.248 1.00 0.00 H new ATOM 67 N LYS A 7 1.947 -9.430 4.522 1.00 0.00 N ATOM 68 CA LYS A 7 1.880 -8.162 5.229 1.00 0.00 C ATOM 69 C LYS A 7 3.231 -7.452 5.123 1.00 0.00 C ATOM 70 O LYS A 7 3.286 -6.235 4.953 1.00 0.00 O ATOM 71 CB LYS A 7 1.409 -8.375 6.669 1.00 0.00 C ATOM 72 CG LYS A 7 0.505 -7.228 7.125 1.00 0.00 C ATOM 73 CD LYS A 7 0.246 -7.300 8.631 1.00 0.00 C ATOM 74 CE LYS A 7 -0.684 -8.466 8.972 1.00 0.00 C ATOM 75 NZ LYS A 7 -1.243 -8.303 10.333 1.00 0.00 N ATOM 0 H LYS A 7 1.952 -10.254 5.123 1.00 0.00 H new ATOM 0 HA LYS A 7 1.139 -7.509 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.870 -9.319 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.272 -8.448 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.970 -6.274 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.442 -7.271 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.191 -7.417 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.197 -6.365 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.494 -8.518 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.136 -9.406 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.872 -9.103 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.468 -8.276 11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.783 -7.415 10.383 1.00 0.00 H new ATOM 89 N ASN A 8 4.289 -8.244 5.227 1.00 0.00 N ATOM 90 CA ASN A 8 5.636 -7.706 5.145 1.00 0.00 C ATOM 91 C ASN A 8 5.934 -7.305 3.699 1.00 0.00 C ATOM 92 O ASN A 8 6.286 -6.158 3.429 1.00 0.00 O ATOM 93 CB ASN A 8 6.672 -8.750 5.570 1.00 0.00 C ATOM 94 CG ASN A 8 7.966 -8.079 6.035 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.152 -6.880 5.917 1.00 0.00 O ATOM 96 ND2 ASN A 8 8.849 -8.919 6.568 1.00 0.00 N ATOM 0 H ASN A 8 4.240 -9.253 5.367 1.00 0.00 H new ATOM 0 HA ASN A 8 5.697 -6.845 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.267 -9.364 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.884 -9.418 4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.745 -8.569 6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.630 -9.913 6.637 1.00 0.00 H new ATOM 103 N GLY A 9 5.782 -8.273 2.807 1.00 0.00 N ATOM 104 CA GLY A 9 6.029 -8.036 1.395 1.00 0.00 C ATOM 105 C GLY A 9 5.362 -6.740 0.932 1.00 0.00 C ATOM 106 O GLY A 9 5.915 -6.012 0.109 1.00 0.00 O ATOM 0 H GLY A 9 5.491 -9.224 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.102 -7.981 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.649 -8.874 0.810 1.00 0.00 H new ATOM 110 N VAL A 10 4.182 -6.490 1.481 1.00 0.00 N ATOM 111 CA VAL A 10 3.433 -5.295 1.134 1.00 0.00 C ATOM 112 C VAL A 10 4.213 -4.059 1.590 1.00 0.00 C ATOM 113 O VAL A 10 4.452 -3.145 0.803 1.00 0.00 O ATOM 114 CB VAL A 10 2.026 -5.367 1.730 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.494 -3.969 2.053 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.072 -6.113 0.794 1.00 0.00 C ATOM 0 H VAL A 10 3.726 -7.095 2.164 1.00 0.00 H new ATOM 0 HA VAL A 10 3.310 -5.222 0.053 1.00 0.00 H new ATOM 0 HB VAL A 10 2.086 -5.926 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.492 -4.049 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.154 -3.486 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.456 -3.374 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.079 -6.150 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.020 -5.593 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.437 -7.128 0.636 1.00 0.00 H new ATOM 126 N LEU A 11 4.587 -4.072 2.862 1.00 0.00 N ATOM 127 CA LEU A 11 5.335 -2.965 3.433 1.00 0.00 C ATOM 128 C LEU A 11 6.691 -2.856 2.733 1.00 0.00 C ATOM 129 O LEU A 11 7.166 -1.754 2.461 1.00 0.00 O ATOM 130 CB LEU A 11 5.437 -3.115 4.952 1.00 0.00 C ATOM 131 CG LEU A 11 5.182 -1.847 5.770 1.00 0.00 C ATOM 132 CD1 LEU A 11 3.956 -1.096 5.248 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.065 -2.171 7.260 1.00 0.00 C ATOM 0 H LEU A 11 4.386 -4.832 3.512 1.00 0.00 H new ATOM 0 HA LEU A 11 4.812 -2.024 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.727 -3.878 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.433 -3.486 5.195 1.00 0.00 H new ATOM 0 HG LEU A 11 6.040 -1.185 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.797 -0.199 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.118 -0.814 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.079 -1.739 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.884 -1.253 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.237 -2.861 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.991 -2.630 7.606 1.00 0.00 H new ATOM 145 N ASP A 12 7.276 -4.013 2.461 1.00 0.00 N ATOM 146 CA ASP A 12 8.567 -4.061 1.797 1.00 0.00 C ATOM 147 C ASP A 12 8.437 -3.468 0.392 1.00 0.00 C ATOM 148 O ASP A 12 9.401 -2.932 -0.150 1.00 0.00 O ATOM 149 CB ASP A 12 9.062 -5.501 1.659 1.00 0.00 C ATOM 150 CG ASP A 12 10.574 -5.684 1.808 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.306 -4.952 1.106 1.00 0.00 O ATOM 152 OD2 ASP A 12 10.964 -6.549 2.621 1.00 0.00 O ATOM 0 H ASP A 12 6.879 -4.925 2.689 1.00 0.00 H new ATOM 0 HA ASP A 12 9.276 -3.492 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.562 -6.114 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.760 -5.881 0.683 1.00 0.00 H new ATOM 157 N ILE A 13 7.237 -3.587 -0.156 1.00 0.00 N ATOM 158 CA ILE A 13 6.968 -3.070 -1.486 1.00 0.00 C ATOM 159 C ILE A 13 6.412 -1.649 -1.375 1.00 0.00 C ATOM 160 O ILE A 13 6.312 -0.937 -2.373 1.00 0.00 O ATOM 161 CB ILE A 13 6.057 -4.027 -2.259 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.878 -5.078 -3.010 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.119 -3.258 -3.192 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.189 -6.444 -2.968 1.00 0.00 C ATOM 0 H ILE A 13 6.440 -4.034 0.297 1.00 0.00 H new ATOM 0 HA ILE A 13 7.891 -3.007 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 13 5.432 -4.559 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.014 -4.767 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.871 -5.154 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.483 -3.962 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.497 -2.581 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.708 -2.683 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.793 -7.173 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.077 -6.763 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.206 -6.370 -3.433 1.00 0.00 H new ATOM 176 N LEU A 14 6.065 -1.278 -0.151 1.00 0.00 N ATOM 177 CA LEU A 14 5.524 0.046 0.104 1.00 0.00 C ATOM 178 C LEU A 14 6.667 1.005 0.441 1.00 0.00 C ATOM 179 O LEU A 14 6.746 2.101 -0.112 1.00 0.00 O ATOM 180 CB LEU A 14 4.437 -0.019 1.180 1.00 0.00 C ATOM 181 CG LEU A 14 3.071 0.548 0.790 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.455 -0.253 -0.359 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.141 0.620 2.002 1.00 0.00 C ATOM 0 H LEU A 14 6.148 -1.871 0.675 1.00 0.00 H new ATOM 0 HA LEU A 14 5.035 0.436 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.305 -1.061 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.793 0.517 2.060 1.00 0.00 H new ATOM 0 HG LEU A 14 3.213 1.568 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.484 0.170 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.113 -0.209 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.328 -1.291 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.177 1.027 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.000 -0.380 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.583 1.265 2.762 1.00 0.00 H new ATOM 195 N ALA A 15 7.524 0.558 1.346 1.00 0.00 N ATOM 196 CA ALA A 15 8.660 1.362 1.764 1.00 0.00 C ATOM 197 C ALA A 15 9.619 1.533 0.584 1.00 0.00 C ATOM 198 O ALA A 15 10.307 2.547 0.480 1.00 0.00 O ATOM 199 CB ALA A 15 9.332 0.709 2.972 1.00 0.00 C ATOM 0 H ALA A 15 7.455 -0.352 1.802 1.00 0.00 H new ATOM 0 HA ALA A 15 8.334 2.356 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.184 1.313 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.617 0.638 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.675 -0.290 2.702 1.00 0.00 H new ATOM 205 N ASP A 16 9.636 0.523 -0.276 1.00 0.00 N ATOM 206 CA ASP A 16 10.499 0.549 -1.444 1.00 0.00 C ATOM 207 C ASP A 16 9.923 1.518 -2.478 1.00 0.00 C ATOM 208 O ASP A 16 10.668 2.223 -3.157 1.00 0.00 O ATOM 209 CB ASP A 16 10.591 -0.834 -2.091 1.00 0.00 C ATOM 210 CG ASP A 16 11.800 -1.669 -1.664 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.627 -1.122 -0.903 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.869 -2.835 -2.109 1.00 0.00 O ATOM 0 H ASP A 16 9.065 -0.318 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 16 11.492 0.864 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.683 -1.390 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.618 -0.711 -3.174 1.00 0.00 H new ATOM 217 N LEU A 17 8.600 1.521 -2.566 1.00 0.00 N ATOM 218 CA LEU A 17 7.915 2.392 -3.506 1.00 0.00 C ATOM 219 C LEU A 17 8.240 3.849 -3.175 1.00 0.00 C ATOM 220 O LEU A 17 8.698 4.599 -4.037 1.00 0.00 O ATOM 221 CB LEU A 17 6.416 2.085 -3.526 1.00 0.00 C ATOM 222 CG LEU A 17 5.782 1.927 -4.910 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.531 0.453 -5.233 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.507 2.765 -5.027 1.00 0.00 C ATOM 0 H LEU A 17 7.985 0.934 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 17 8.268 2.210 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.246 1.167 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.895 2.884 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 17 6.485 2.304 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.080 0.369 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.477 -0.089 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.857 0.027 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.076 2.635 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.788 2.441 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.747 3.817 -4.871 1.00 0.00 H new ATOM 236 N THR A 18 7.992 4.209 -1.924 1.00 0.00 N ATOM 237 CA THR A 18 8.253 5.563 -1.467 1.00 0.00 C ATOM 238 C THR A 18 9.741 5.891 -1.595 1.00 0.00 C ATOM 239 O THR A 18 10.106 6.954 -2.095 1.00 0.00 O ATOM 240 CB THR A 18 7.722 5.691 -0.039 1.00 0.00 C ATOM 241 OG1 THR A 18 8.423 4.684 0.685 1.00 0.00 O ATOM 242 CG2 THR A 18 6.253 5.280 0.080 1.00 0.00 C ATOM 0 H THR A 18 7.612 3.585 -1.212 1.00 0.00 H new ATOM 0 HA THR A 18 7.737 6.296 -2.087 1.00 0.00 H new ATOM 0 HB THR A 18 7.839 6.721 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.139 4.698 1.623 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.927 5.390 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.644 5.916 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.140 4.240 -0.227 1.00 0.00 H new ATOM 250 N GLY A 19 10.561 4.959 -1.132 1.00 0.00 N ATOM 251 CA GLY A 19 12.003 5.136 -1.188 1.00 0.00 C ATOM 252 C GLY A 19 12.543 5.657 0.145 1.00 0.00 C ATOM 253 O GLY A 19 13.692 6.088 0.227 1.00 0.00 O ATOM 0 H GLY A 19 10.255 4.079 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.480 4.187 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.257 5.835 -1.985 1.00 0.00 H new ATOM 257 N SER A 20 11.689 5.600 1.156 1.00 0.00 N ATOM 258 CA SER A 20 12.066 6.061 2.481 1.00 0.00 C ATOM 259 C SER A 20 11.792 4.966 3.514 1.00 0.00 C ATOM 260 O SER A 20 11.280 3.900 3.173 1.00 0.00 O ATOM 261 CB SER A 20 11.314 7.341 2.854 1.00 0.00 C ATOM 262 OG SER A 20 12.079 8.510 2.574 1.00 0.00 O ATOM 0 H SER A 20 10.737 5.241 1.084 1.00 0.00 H new ATOM 0 HA SER A 20 13.132 6.287 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.374 7.383 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.062 7.318 3.914 1.00 0.00 H new ATOM 0 HG SER A 20 11.564 9.306 2.824 1.00 0.00 H new ATOM 268 N ASP A 21 12.145 5.265 4.755 1.00 0.00 N ATOM 269 CA ASP A 21 11.945 4.319 5.839 1.00 0.00 C ATOM 270 C ASP A 21 11.052 4.954 6.906 1.00 0.00 C ATOM 271 O ASP A 21 11.544 5.438 7.925 1.00 0.00 O ATOM 272 CB ASP A 21 13.275 3.945 6.497 1.00 0.00 C ATOM 273 CG ASP A 21 13.302 2.568 7.165 1.00 0.00 C ATOM 274 OD1 ASP A 21 12.641 2.436 8.218 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.982 1.680 6.608 1.00 0.00 O ATOM 0 H ASP A 21 12.569 6.150 5.034 1.00 0.00 H new ATOM 0 HA ASP A 21 11.484 3.423 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.060 3.981 5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.518 4.700 7.245 1.00 0.00 H new ATOM 280 N ASP A 22 9.755 4.934 6.637 1.00 0.00 N ATOM 281 CA ASP A 22 8.789 5.502 7.561 1.00 0.00 C ATOM 282 C ASP A 22 7.550 4.606 7.612 1.00 0.00 C ATOM 283 O ASP A 22 7.023 4.331 8.688 1.00 0.00 O ATOM 284 CB ASP A 22 8.346 6.895 7.108 1.00 0.00 C ATOM 285 CG ASP A 22 8.194 7.922 8.232 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.477 7.544 9.389 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.797 9.063 7.908 1.00 0.00 O ATOM 0 H ASP A 22 9.350 4.533 5.791 1.00 0.00 H new ATOM 0 HA ASP A 22 9.262 5.574 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.070 7.273 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.393 6.805 6.587 1.00 0.00 H new ATOM 292 N VAL A 23 7.122 4.175 6.435 1.00 0.00 N ATOM 293 CA VAL A 23 5.955 3.315 6.332 1.00 0.00 C ATOM 294 C VAL A 23 6.345 1.885 6.710 1.00 0.00 C ATOM 295 O VAL A 23 5.482 1.021 6.858 1.00 0.00 O ATOM 296 CB VAL A 23 5.350 3.420 4.930 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.222 2.695 3.902 1.00 0.00 C ATOM 298 CG2 VAL A 23 3.918 2.882 4.909 1.00 0.00 C ATOM 0 H VAL A 23 7.562 4.405 5.544 1.00 0.00 H new ATOM 0 HA VAL A 23 5.182 3.635 7.030 1.00 0.00 H new ATOM 0 HB VAL A 23 5.316 4.475 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.770 2.784 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.216 3.142 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.301 1.642 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.512 2.968 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.918 1.835 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.302 3.459 5.599 1.00 0.00 H new ATOM 308 N LYS A 24 7.646 1.680 6.855 1.00 0.00 N ATOM 309 CA LYS A 24 8.162 0.369 7.214 1.00 0.00 C ATOM 310 C LYS A 24 7.887 0.106 8.695 1.00 0.00 C ATOM 311 O LYS A 24 7.788 -1.046 9.117 1.00 0.00 O ATOM 312 CB LYS A 24 9.638 0.251 6.831 1.00 0.00 C ATOM 313 CG LYS A 24 10.183 -1.138 7.171 1.00 0.00 C ATOM 314 CD LYS A 24 11.528 -1.036 7.895 1.00 0.00 C ATOM 315 CE LYS A 24 11.804 -2.296 8.719 1.00 0.00 C ATOM 316 NZ LYS A 24 11.004 -2.286 9.965 1.00 0.00 N ATOM 0 H LYS A 24 8.358 2.399 6.731 1.00 0.00 H new ATOM 0 HA LYS A 24 7.648 -0.410 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.757 0.441 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.216 1.011 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.468 -1.670 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.301 -1.720 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.327 -0.891 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.529 -0.163 8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.562 -3.182 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.865 -2.354 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.346 -3.032 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.099 -1.361 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.004 -2.457 9.737 1.00 0.00 H new ATOM 330 N LYS A 25 7.772 1.192 9.445 1.00 0.00 N ATOM 331 CA LYS A 25 7.511 1.093 10.872 1.00 0.00 C ATOM 332 C LYS A 25 6.049 1.451 11.144 1.00 0.00 C ATOM 333 O LYS A 25 5.298 0.640 11.684 1.00 0.00 O ATOM 334 CB LYS A 25 8.510 1.944 11.658 1.00 0.00 C ATOM 335 CG LYS A 25 8.368 1.703 13.164 1.00 0.00 C ATOM 336 CD LYS A 25 7.249 2.562 13.754 1.00 0.00 C ATOM 337 CE LYS A 25 7.649 3.120 15.121 1.00 0.00 C ATOM 338 NZ LYS A 25 6.450 3.363 15.954 1.00 0.00 N ATOM 0 H LYS A 25 7.855 2.145 9.092 1.00 0.00 H new ATOM 0 HA LYS A 25 7.658 0.070 11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.525 1.705 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.347 2.999 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.158 0.649 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.309 1.933 13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.020 3.383 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.341 1.966 13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.314 2.419 15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.204 4.049 14.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.740 3.742 16.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.830 4.049 15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.936 2.469 16.092 1.00 0.00 H new ATOM 352 N ASN A 26 5.689 2.666 10.758 1.00 0.00 N ATOM 353 CA ASN A 26 4.329 3.141 10.954 1.00 0.00 C ATOM 354 C ASN A 26 3.377 2.325 10.077 1.00 0.00 C ATOM 355 O ASN A 26 3.603 2.181 8.877 1.00 0.00 O ATOM 356 CB ASN A 26 4.197 4.612 10.554 1.00 0.00 C ATOM 357 CG ASN A 26 4.255 5.522 11.782 1.00 0.00 C ATOM 358 OD1 ASN A 26 3.379 5.518 12.632 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.331 6.301 11.828 1.00 0.00 N ATOM 0 H ASN A 26 6.315 3.336 10.311 1.00 0.00 H new ATOM 0 HA ASN A 26 4.082 3.031 12.010 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.996 4.877 9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.255 4.766 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.461 6.945 12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.026 6.255 11.083 1.00 0.00 H new ATOM 366 N LEU A 27 2.333 1.813 10.712 1.00 0.00 N ATOM 367 CA LEU A 27 1.345 1.016 10.005 1.00 0.00 C ATOM 368 C LEU A 27 0.045 1.814 9.881 1.00 0.00 C ATOM 369 O LEU A 27 -1.044 1.244 9.932 1.00 0.00 O ATOM 370 CB LEU A 27 1.169 -0.344 10.684 1.00 0.00 C ATOM 371 CG LEU A 27 2.364 -1.296 10.597 1.00 0.00 C ATOM 372 CD1 LEU A 27 2.844 -1.701 11.992 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.033 -2.512 9.729 1.00 0.00 C ATOM 0 H LEU A 27 2.150 1.935 11.708 1.00 0.00 H new ATOM 0 HA LEU A 27 1.684 0.800 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.940 -0.176 11.736 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.303 -0.838 10.244 1.00 0.00 H new ATOM 0 HG LEU A 27 3.187 -0.769 10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.694 -2.378 11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.145 -0.812 12.546 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.035 -2.203 12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.899 -3.173 9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.189 -3.049 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.775 -2.181 8.723 1.00 0.00 H new ATOM 385 N ASP A 28 0.203 3.119 9.719 1.00 0.00 N ATOM 386 CA ASP A 28 -0.945 4.001 9.587 1.00 0.00 C ATOM 387 C ASP A 28 -0.469 5.389 9.155 1.00 0.00 C ATOM 388 O ASP A 28 -1.071 6.397 9.521 1.00 0.00 O ATOM 389 CB ASP A 28 -1.682 4.147 10.920 1.00 0.00 C ATOM 390 CG ASP A 28 -3.169 3.790 10.878 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.478 2.712 10.327 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.963 4.603 11.399 1.00 0.00 O ATOM 0 H ASP A 28 1.108 3.587 9.676 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.619 3.570 8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.192 3.514 11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.580 5.176 11.264 1.00 0.00 H new ATOM 397 N LEU A 29 0.607 5.396 8.381 1.00 0.00 N ATOM 398 CA LEU A 29 1.171 6.644 7.895 1.00 0.00 C ATOM 399 C LEU A 29 0.226 7.256 6.859 1.00 0.00 C ATOM 400 O LEU A 29 -0.952 6.905 6.803 1.00 0.00 O ATOM 401 CB LEU A 29 2.593 6.423 7.376 1.00 0.00 C ATOM 402 CG LEU A 29 3.610 7.513 7.721 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.772 7.652 9.236 1.00 0.00 C ATOM 404 CD2 LEU A 29 4.947 7.257 7.024 1.00 0.00 C ATOM 0 H LEU A 29 1.103 4.557 8.079 1.00 0.00 H new ATOM 0 HA LEU A 29 1.262 7.364 8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.959 5.475 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.551 6.323 6.291 1.00 0.00 H new ATOM 0 HG LEU A 29 3.230 8.464 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.500 8.433 9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.813 7.915 9.682 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.118 6.706 9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.651 8.046 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.346 6.294 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.798 7.248 5.944 1.00 0.00 H new ATOM 416 N ASN A 30 0.778 8.160 6.063 1.00 0.00 N ATOM 417 CA ASN A 30 -0.002 8.824 5.031 1.00 0.00 C ATOM 418 C ASN A 30 0.824 8.901 3.745 1.00 0.00 C ATOM 419 O ASN A 30 1.500 9.899 3.496 1.00 0.00 O ATOM 420 CB ASN A 30 -0.363 10.251 5.448 1.00 0.00 C ATOM 421 CG ASN A 30 -1.840 10.351 5.835 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.605 11.120 5.277 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.197 9.534 6.822 1.00 0.00 N ATOM 0 H ASN A 30 1.755 8.448 6.111 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.916 8.251 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.259 10.556 6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.150 10.938 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.161 9.527 7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.507 8.915 7.246 1.00 0.00 H new ATOM 430 N LEU A 31 0.742 7.836 2.963 1.00 0.00 N ATOM 431 CA LEU A 31 1.474 7.771 1.709 1.00 0.00 C ATOM 432 C LEU A 31 1.150 9.009 0.870 1.00 0.00 C ATOM 433 O LEU A 31 1.899 9.358 -0.042 1.00 0.00 O ATOM 434 CB LEU A 31 1.188 6.451 0.990 1.00 0.00 C ATOM 435 CG LEU A 31 1.230 5.192 1.860 1.00 0.00 C ATOM 436 CD1 LEU A 31 1.135 3.929 1.001 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.471 5.184 2.755 1.00 0.00 C ATOM 0 H LEU A 31 0.180 7.011 3.173 1.00 0.00 H new ATOM 0 HA LEU A 31 2.548 7.782 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.203 6.517 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.911 6.335 0.183 1.00 0.00 H new ATOM 0 HG LEU A 31 0.360 5.202 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.167 3.049 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.198 3.938 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.972 3.900 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.476 4.279 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.367 5.210 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.455 6.058 3.406 1.00 0.00 H new ATOM 449 N PHE A 32 0.035 9.639 1.209 1.00 0.00 N ATOM 450 CA PHE A 32 -0.396 10.831 0.498 1.00 0.00 C ATOM 451 C PHE A 32 0.087 12.097 1.207 1.00 0.00 C ATOM 452 O PHE A 32 0.792 12.914 0.616 1.00 0.00 O ATOM 453 CB PHE A 32 -1.926 10.818 0.489 1.00 0.00 C ATOM 454 CG PHE A 32 -2.535 9.994 -0.647 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.562 8.637 -0.566 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.049 10.621 -1.741 1.00 0.00 C ATOM 457 CE1 PHE A 32 -3.127 7.874 -1.622 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.614 9.856 -2.796 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.641 8.500 -2.714 1.00 0.00 C ATOM 0 H PHE A 32 -0.583 9.347 1.966 1.00 0.00 H new ATOM 0 HA PHE A 32 0.017 10.832 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.281 10.424 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.287 11.844 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.154 8.139 0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.027 11.699 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.148 6.796 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.022 10.352 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.071 7.919 -3.517 1.00 0.00 H new ATOM 469 N GLU A 33 -0.312 12.221 2.465 1.00 0.00 N ATOM 470 CA GLU A 33 0.072 13.375 3.261 1.00 0.00 C ATOM 471 C GLU A 33 1.585 13.387 3.483 1.00 0.00 C ATOM 472 O GLU A 33 2.142 14.386 3.936 1.00 0.00 O ATOM 473 CB GLU A 33 -0.677 13.393 4.595 1.00 0.00 C ATOM 474 CG GLU A 33 -0.851 14.825 5.106 1.00 0.00 C ATOM 475 CD GLU A 33 -0.166 15.009 6.463 1.00 0.00 C ATOM 476 OE1 GLU A 33 -0.538 14.260 7.392 1.00 0.00 O ATOM 477 OE2 GLU A 33 0.713 15.894 6.539 1.00 0.00 O ATOM 0 H GLU A 33 -0.897 11.542 2.952 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.203 14.277 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.654 12.925 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.130 12.804 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.431 15.526 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.912 15.057 5.196 1.00 0.00 H new ATOM 484 N THR A 34 2.209 12.265 3.152 1.00 0.00 N ATOM 485 CA THR A 34 3.648 12.135 3.309 1.00 0.00 C ATOM 486 C THR A 34 4.365 12.566 2.028 1.00 0.00 C ATOM 487 O THR A 34 5.568 12.824 2.044 1.00 0.00 O ATOM 488 CB THR A 34 3.950 10.691 3.718 1.00 0.00 C ATOM 489 OG1 THR A 34 3.285 10.539 4.970 1.00 0.00 O ATOM 490 CG2 THR A 34 5.427 10.474 4.051 1.00 0.00 C ATOM 0 H THR A 34 1.744 11.438 2.776 1.00 0.00 H new ATOM 0 HA THR A 34 4.022 12.795 4.092 1.00 0.00 H new ATOM 0 HB THR A 34 3.657 10.017 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.330 10.381 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.587 9.434 4.335 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.035 10.710 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.713 11.124 4.878 1.00 0.00 H new ATOM 498 N GLY A 35 3.597 12.631 0.951 1.00 0.00 N ATOM 499 CA GLY A 35 4.145 13.027 -0.336 1.00 0.00 C ATOM 500 C GLY A 35 5.002 11.910 -0.934 1.00 0.00 C ATOM 501 O GLY A 35 5.593 12.078 -1.999 1.00 0.00 O ATOM 0 H GLY A 35 2.600 12.416 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.333 13.274 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.747 13.928 -0.217 1.00 0.00 H new ATOM 505 N LEU A 36 5.042 10.793 -0.222 1.00 0.00 N ATOM 506 CA LEU A 36 5.817 9.648 -0.669 1.00 0.00 C ATOM 507 C LEU A 36 5.164 9.052 -1.918 1.00 0.00 C ATOM 508 O LEU A 36 5.852 8.525 -2.792 1.00 0.00 O ATOM 509 CB LEU A 36 5.994 8.643 0.470 1.00 0.00 C ATOM 510 CG LEU A 36 7.135 8.932 1.448 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.253 7.824 2.496 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.452 9.158 0.702 1.00 0.00 C ATOM 0 H LEU A 36 4.550 10.657 0.661 1.00 0.00 H new ATOM 0 HA LEU A 36 6.824 9.956 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.062 8.595 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.155 7.656 0.036 1.00 0.00 H new ATOM 0 HG LEU A 36 6.903 9.855 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.071 8.054 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.321 7.753 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.451 6.874 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.247 9.361 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.702 8.266 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.347 10.007 0.027 1.00 0.00 H new ATOM 524 N LEU A 37 3.844 9.156 -1.964 1.00 0.00 N ATOM 525 CA LEU A 37 3.091 8.633 -3.091 1.00 0.00 C ATOM 526 C LEU A 37 2.135 9.713 -3.604 1.00 0.00 C ATOM 527 O LEU A 37 2.007 10.774 -2.995 1.00 0.00 O ATOM 528 CB LEU A 37 2.393 7.326 -2.710 1.00 0.00 C ATOM 529 CG LEU A 37 2.437 6.212 -3.759 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.655 4.848 -3.101 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.182 6.233 -4.633 1.00 0.00 C ATOM 0 H LEU A 37 3.277 9.595 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 37 3.761 8.381 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.844 6.951 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.349 7.546 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 37 3.289 6.393 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.682 4.074 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.600 4.853 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.839 4.644 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.238 5.432 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.301 6.090 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.111 7.193 -5.145 1.00 0.00 H new ATOM 543 N ASP A 38 1.489 9.404 -4.719 1.00 0.00 N ATOM 544 CA ASP A 38 0.549 10.334 -5.322 1.00 0.00 C ATOM 545 C ASP A 38 -0.564 9.550 -6.018 1.00 0.00 C ATOM 546 O ASP A 38 -1.744 9.849 -5.840 1.00 0.00 O ATOM 547 CB ASP A 38 1.237 11.211 -6.369 1.00 0.00 C ATOM 548 CG ASP A 38 1.714 12.574 -5.862 1.00 0.00 C ATOM 549 OD1 ASP A 38 0.876 13.501 -5.851 1.00 0.00 O ATOM 550 OD2 ASP A 38 2.906 12.657 -5.495 1.00 0.00 O ATOM 0 H ASP A 38 1.598 8.523 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 38 0.146 10.966 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.094 10.669 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.547 11.370 -7.197 1.00 0.00 H new ATOM 555 N SER A 39 -0.149 8.561 -6.797 1.00 0.00 N ATOM 556 CA SER A 39 -1.096 7.731 -7.520 1.00 0.00 C ATOM 557 C SER A 39 -0.347 6.719 -8.389 1.00 0.00 C ATOM 558 O SER A 39 -0.587 5.516 -8.294 1.00 0.00 O ATOM 559 CB SER A 39 -2.029 8.583 -8.383 1.00 0.00 C ATOM 560 OG SER A 39 -2.862 7.784 -9.218 1.00 0.00 O ATOM 0 H SER A 39 0.831 8.317 -6.943 1.00 0.00 H new ATOM 0 HA SER A 39 -1.706 7.195 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.651 9.205 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.436 9.257 -9.001 1.00 0.00 H new ATOM 0 HG SER A 39 -3.444 8.365 -9.752 1.00 0.00 H new ATOM 566 N MET A 40 0.545 7.242 -9.217 1.00 0.00 N ATOM 567 CA MET A 40 1.331 6.400 -10.102 1.00 0.00 C ATOM 568 C MET A 40 1.954 5.230 -9.336 1.00 0.00 C ATOM 569 O MET A 40 2.125 4.144 -9.885 1.00 0.00 O ATOM 570 CB MET A 40 2.438 7.232 -10.751 1.00 0.00 C ATOM 571 CG MET A 40 1.949 7.874 -12.052 1.00 0.00 C ATOM 572 SD MET A 40 1.817 6.637 -13.331 1.00 0.00 S ATOM 573 CE MET A 40 0.042 6.519 -13.466 1.00 0.00 C ATOM 0 H MET A 40 0.741 8.240 -9.294 1.00 0.00 H new ATOM 0 HA MET A 40 0.670 5.997 -10.870 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.768 8.008 -10.060 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.301 6.599 -10.955 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.981 8.348 -11.892 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.640 8.658 -12.363 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.228 5.545 -13.874 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.407 6.637 -12.480 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.326 7.303 -14.128 1.00 0.00 H new ATOM 583 N GLY A 41 2.277 5.495 -8.078 1.00 0.00 N ATOM 584 CA GLY A 41 2.878 4.479 -7.231 1.00 0.00 C ATOM 585 C GLY A 41 1.958 3.263 -7.096 1.00 0.00 C ATOM 586 O GLY A 41 2.397 2.126 -7.260 1.00 0.00 O ATOM 0 H GLY A 41 2.134 6.398 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.835 4.170 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.082 4.896 -6.245 1.00 0.00 H new ATOM 590 N THR A 42 0.698 3.545 -6.795 1.00 0.00 N ATOM 591 CA THR A 42 -0.287 2.490 -6.636 1.00 0.00 C ATOM 592 C THR A 42 -0.245 1.535 -7.830 1.00 0.00 C ATOM 593 O THR A 42 -0.314 0.319 -7.660 1.00 0.00 O ATOM 594 CB THR A 42 -1.654 3.147 -6.432 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.060 2.709 -5.138 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.722 2.579 -7.369 1.00 0.00 C ATOM 0 H THR A 42 0.338 4.489 -6.657 1.00 0.00 H new ATOM 0 HA THR A 42 -0.070 1.876 -5.762 1.00 0.00 H new ATOM 0 HB THR A 42 -1.567 4.222 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.937 3.090 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.672 3.079 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.422 2.743 -8.404 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.833 1.510 -7.188 1.00 0.00 H new ATOM 604 N VAL A 43 -0.130 2.122 -9.013 1.00 0.00 N ATOM 605 CA VAL A 43 -0.077 1.339 -10.236 1.00 0.00 C ATOM 606 C VAL A 43 0.993 0.254 -10.094 1.00 0.00 C ATOM 607 O VAL A 43 0.746 -0.910 -10.404 1.00 0.00 O ATOM 608 CB VAL A 43 0.158 2.258 -11.436 1.00 0.00 C ATOM 609 CG1 VAL A 43 0.285 1.449 -12.728 1.00 0.00 C ATOM 610 CG2 VAL A 43 -0.953 3.304 -11.550 1.00 0.00 C ATOM 0 H VAL A 43 -0.072 3.131 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.029 0.837 -10.411 1.00 0.00 H new ATOM 0 HB VAL A 43 1.099 2.785 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.452 2.126 -13.566 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.126 0.760 -12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.632 0.884 -12.895 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.762 3.945 -12.411 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.913 2.803 -11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.976 3.910 -10.644 1.00 0.00 H new ATOM 620 N GLN A 44 2.159 0.675 -9.627 1.00 0.00 N ATOM 621 CA GLN A 44 3.268 -0.246 -9.442 1.00 0.00 C ATOM 622 C GLN A 44 2.971 -1.209 -8.291 1.00 0.00 C ATOM 623 O GLN A 44 3.004 -2.426 -8.471 1.00 0.00 O ATOM 624 CB GLN A 44 4.576 0.511 -9.201 1.00 0.00 C ATOM 625 CG GLN A 44 5.771 -0.442 -9.215 1.00 0.00 C ATOM 626 CD GLN A 44 7.029 0.263 -9.727 1.00 0.00 C ATOM 627 OE1 GLN A 44 7.387 0.182 -10.891 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.677 0.956 -8.796 1.00 0.00 N ATOM 0 H GLN A 44 2.360 1.642 -9.371 1.00 0.00 H new ATOM 0 HA GLN A 44 3.388 -0.828 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.706 1.274 -9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.530 1.028 -8.243 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.948 -0.824 -8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.548 -1.301 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.322 0.982 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.529 1.462 -9.038 1.00 0.00 H new ATOM 637 N LEU A 45 2.688 -0.629 -7.134 1.00 0.00 N ATOM 638 CA LEU A 45 2.386 -1.420 -5.954 1.00 0.00 C ATOM 639 C LEU A 45 1.379 -2.512 -6.321 1.00 0.00 C ATOM 640 O LEU A 45 1.456 -3.629 -5.814 1.00 0.00 O ATOM 641 CB LEU A 45 1.924 -0.518 -4.808 1.00 0.00 C ATOM 642 CG LEU A 45 0.694 -0.995 -4.032 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.949 -2.356 -3.383 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.250 0.054 -3.011 1.00 0.00 C ATOM 0 H LEU A 45 2.662 0.380 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 45 3.283 -1.922 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.750 -0.404 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.712 0.471 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.127 -1.125 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.059 -2.672 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.181 -3.090 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.789 -2.278 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.626 -0.310 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.059 0.239 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.000 0.981 -3.527 1.00 0.00 H new ATOM 656 N LEU A 46 0.456 -2.150 -7.201 1.00 0.00 N ATOM 657 CA LEU A 46 -0.565 -3.084 -7.642 1.00 0.00 C ATOM 658 C LEU A 46 0.095 -4.224 -8.420 1.00 0.00 C ATOM 659 O LEU A 46 -0.310 -5.380 -8.299 1.00 0.00 O ATOM 660 CB LEU A 46 -1.657 -2.354 -8.427 1.00 0.00 C ATOM 661 CG LEU A 46 -2.973 -2.118 -7.685 1.00 0.00 C ATOM 662 CD1 LEU A 46 -3.936 -1.280 -8.530 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.601 -3.442 -7.245 1.00 0.00 C ATOM 0 H LEU A 46 0.395 -1.222 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.068 -3.532 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.264 -1.388 -8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.870 -2.925 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.757 -1.548 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.864 -1.127 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.481 -0.314 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.150 -1.802 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.536 -3.245 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.800 -4.059 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.915 -3.967 -6.580 1.00 0.00 H new ATOM 675 N LEU A 47 1.099 -3.859 -9.204 1.00 0.00 N ATOM 676 CA LEU A 47 1.819 -4.837 -10.002 1.00 0.00 C ATOM 677 C LEU A 47 2.339 -5.950 -9.090 1.00 0.00 C ATOM 678 O LEU A 47 2.253 -7.128 -9.433 1.00 0.00 O ATOM 679 CB LEU A 47 2.913 -4.155 -10.825 1.00 0.00 C ATOM 680 CG LEU A 47 3.079 -4.651 -12.263 1.00 0.00 C ATOM 681 CD1 LEU A 47 3.474 -6.129 -12.290 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.818 -4.380 -13.085 1.00 0.00 C ATOM 0 H LEU A 47 1.431 -2.900 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 47 1.151 -5.304 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.706 -3.085 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.863 -4.282 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 47 3.892 -4.091 -12.726 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.586 -6.457 -13.323 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.419 -6.263 -11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.700 -6.722 -11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.962 -4.742 -14.103 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.971 -4.896 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.621 -3.308 -13.106 1.00 0.00 H new ATOM 694 N GLU A 48 2.867 -5.538 -7.947 1.00 0.00 N ATOM 695 CA GLU A 48 3.400 -6.486 -6.984 1.00 0.00 C ATOM 696 C GLU A 48 2.266 -7.104 -6.164 1.00 0.00 C ATOM 697 O GLU A 48 2.406 -8.209 -5.639 1.00 0.00 O ATOM 698 CB GLU A 48 4.433 -5.819 -6.074 1.00 0.00 C ATOM 699 CG GLU A 48 5.819 -6.435 -6.275 1.00 0.00 C ATOM 700 CD GLU A 48 6.352 -6.140 -7.679 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.043 -6.945 -8.584 1.00 0.00 O ATOM 702 OE2 GLU A 48 7.055 -5.116 -7.815 1.00 0.00 O ATOM 0 H GLU A 48 2.937 -4.560 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 48 3.904 -7.284 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.472 -4.750 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.130 -5.928 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.509 -6.039 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.768 -7.513 -6.121 1.00 0.00 H new ATOM 709 N LEU A 49 1.168 -6.368 -6.081 1.00 0.00 N ATOM 710 CA LEU A 49 0.010 -6.830 -5.335 1.00 0.00 C ATOM 711 C LEU A 49 -0.826 -7.756 -6.221 1.00 0.00 C ATOM 712 O LEU A 49 -1.781 -8.373 -5.753 1.00 0.00 O ATOM 713 CB LEU A 49 -0.775 -5.643 -4.773 1.00 0.00 C ATOM 714 CG LEU A 49 -1.295 -5.800 -3.343 1.00 0.00 C ATOM 715 CD1 LEU A 49 -0.148 -5.739 -2.332 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.383 -4.768 -3.039 1.00 0.00 C ATOM 0 H LEU A 49 1.056 -5.454 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 49 0.323 -7.413 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.137 -4.760 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.625 -5.452 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.752 -6.786 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.545 -5.853 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.560 -6.542 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.360 -4.778 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.736 -4.901 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.974 -3.764 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.215 -4.902 -3.730 1.00 0.00 H new ATOM 728 N GLN A 50 -0.435 -7.824 -7.485 1.00 0.00 N ATOM 729 CA GLN A 50 -1.136 -8.664 -8.441 1.00 0.00 C ATOM 730 C GLN A 50 -0.217 -9.780 -8.941 1.00 0.00 C ATOM 731 O GLN A 50 -0.520 -10.441 -9.933 1.00 0.00 O ATOM 732 CB GLN A 50 -1.677 -7.835 -9.608 1.00 0.00 C ATOM 733 CG GLN A 50 -2.564 -8.685 -10.520 1.00 0.00 C ATOM 734 CD GLN A 50 -3.483 -7.803 -11.367 1.00 0.00 C ATOM 735 OE1 GLN A 50 -3.050 -6.908 -12.075 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.774 -8.105 -11.256 1.00 0.00 N ATOM 0 H GLN A 50 0.358 -7.311 -7.869 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.988 -9.120 -7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.248 -6.990 -9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.847 -7.424 -10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.941 -9.298 -11.171 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.163 -9.368 -9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.069 -8.867 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.469 -7.575 -11.782 1.00 0.00 H new ATOM 745 N SER A 51 0.888 -9.957 -8.231 1.00 0.00 N ATOM 746 CA SER A 51 1.853 -10.981 -8.591 1.00 0.00 C ATOM 747 C SER A 51 2.010 -11.978 -7.441 1.00 0.00 C ATOM 748 O SER A 51 1.821 -13.180 -7.626 1.00 0.00 O ATOM 749 CB SER A 51 3.206 -10.363 -8.946 1.00 0.00 C ATOM 750 OG SER A 51 3.791 -10.978 -10.091 1.00 0.00 O ATOM 0 H SER A 51 1.136 -9.408 -7.408 1.00 0.00 H new ATOM 0 HA SER A 51 1.482 -11.506 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.080 -9.297 -9.132 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.883 -10.460 -8.097 1.00 0.00 H new ATOM 0 HG SER A 51 4.653 -10.554 -10.286 1.00 0.00 H new ATOM 756 N GLN A 52 2.355 -11.443 -6.279 1.00 0.00 N ATOM 757 CA GLN A 52 2.540 -12.271 -5.099 1.00 0.00 C ATOM 758 C GLN A 52 1.201 -12.494 -4.392 1.00 0.00 C ATOM 759 O GLN A 52 1.028 -13.481 -3.680 1.00 0.00 O ATOM 760 CB GLN A 52 3.566 -11.650 -4.150 1.00 0.00 C ATOM 761 CG GLN A 52 4.935 -11.534 -4.822 1.00 0.00 C ATOM 762 CD GLN A 52 5.867 -12.658 -4.366 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.667 -13.824 -4.663 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.894 -12.245 -3.628 1.00 0.00 N ATOM 0 H GLN A 52 2.511 -10.446 -6.129 1.00 0.00 H new ATOM 0 HA GLN A 52 2.927 -13.240 -5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.226 -10.663 -3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.649 -12.259 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.817 -11.572 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.380 -10.568 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.003 -11.253 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.572 -12.920 -3.275 1.00 0.00 H new ATOM 773 N PHE A 53 0.289 -11.558 -4.612 1.00 0.00 N ATOM 774 CA PHE A 53 -1.029 -11.639 -4.005 1.00 0.00 C ATOM 775 C PHE A 53 -2.115 -11.796 -5.070 1.00 0.00 C ATOM 776 O PHE A 53 -3.221 -12.245 -4.772 1.00 0.00 O ATOM 777 CB PHE A 53 -1.255 -10.328 -3.250 1.00 0.00 C ATOM 778 CG PHE A 53 -0.038 -9.850 -2.454 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.033 -9.318 -3.103 1.00 0.00 C ATOM 780 CD2 PHE A 53 -0.029 -9.955 -1.098 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.161 -8.874 -2.364 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.099 -9.511 -0.359 1.00 0.00 C ATOM 783 CZ PHE A 53 2.170 -8.980 -1.008 1.00 0.00 C ATOM 0 H PHE A 53 0.437 -10.739 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.081 -12.503 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.536 -9.554 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.096 -10.454 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.025 -9.234 -4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.880 -10.376 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.012 -8.452 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.107 -9.595 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.028 -8.642 -0.446 1.00 0.00 H new ATOM 793 N GLY A 54 -1.762 -11.416 -6.289 1.00 0.00 N ATOM 794 CA GLY A 54 -2.693 -11.508 -7.401 1.00 0.00 C ATOM 795 C GLY A 54 -4.030 -10.851 -7.051 1.00 0.00 C ATOM 796 O GLY A 54 -5.090 -11.430 -7.286 1.00 0.00 O ATOM 0 H GLY A 54 -0.844 -11.044 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.265 -11.025 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.854 -12.555 -7.660 1.00 0.00 H new ATOM 800 N VAL A 55 -3.937 -9.652 -6.498 1.00 0.00 N ATOM 801 CA VAL A 55 -5.126 -8.910 -6.114 1.00 0.00 C ATOM 802 C VAL A 55 -5.720 -8.233 -7.351 1.00 0.00 C ATOM 803 O VAL A 55 -5.008 -7.962 -8.317 1.00 0.00 O ATOM 804 CB VAL A 55 -4.788 -7.922 -4.996 1.00 0.00 C ATOM 805 CG1 VAL A 55 -3.841 -6.830 -5.497 1.00 0.00 C ATOM 806 CG2 VAL A 55 -6.059 -7.314 -4.399 1.00 0.00 C ATOM 0 H VAL A 55 -3.056 -9.175 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.885 -9.583 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.277 -8.472 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.617 -6.141 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.916 -7.285 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.314 -6.285 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.791 -6.615 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.610 -6.786 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.683 -8.107 -3.987 1.00 0.00 H new ATOM 816 N ASP A 56 -7.019 -7.978 -7.280 1.00 0.00 N ATOM 817 CA ASP A 56 -7.716 -7.338 -8.382 1.00 0.00 C ATOM 818 C ASP A 56 -8.394 -6.062 -7.878 1.00 0.00 C ATOM 819 O ASP A 56 -9.609 -5.913 -7.994 1.00 0.00 O ATOM 820 CB ASP A 56 -8.800 -8.254 -8.955 1.00 0.00 C ATOM 821 CG ASP A 56 -8.359 -9.115 -10.140 1.00 0.00 C ATOM 822 OD1 ASP A 56 -7.691 -10.139 -9.880 1.00 0.00 O ATOM 823 OD2 ASP A 56 -8.700 -8.730 -11.279 1.00 0.00 O ATOM 0 H ASP A 56 -7.606 -8.203 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.985 -7.114 -9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.157 -8.910 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.646 -7.641 -9.266 1.00 0.00 H new ATOM 828 N ALA A 57 -7.578 -5.174 -7.328 1.00 0.00 N ATOM 829 CA ALA A 57 -8.083 -3.916 -6.806 1.00 0.00 C ATOM 830 C ALA A 57 -8.266 -2.927 -7.959 1.00 0.00 C ATOM 831 O ALA A 57 -7.571 -3.012 -8.971 1.00 0.00 O ATOM 832 CB ALA A 57 -7.129 -3.389 -5.732 1.00 0.00 C ATOM 0 H ALA A 57 -6.570 -5.301 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.056 -4.059 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.508 -2.445 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.056 -4.115 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.142 -3.231 -6.168 1.00 0.00 H new ATOM 838 N PRO A 58 -9.231 -1.989 -7.763 1.00 0.00 N ATOM 839 CA PRO A 58 -9.515 -0.985 -8.776 1.00 0.00 C ATOM 840 C PRO A 58 -8.426 0.089 -8.802 1.00 0.00 C ATOM 841 O PRO A 58 -7.420 -0.025 -8.103 1.00 0.00 O ATOM 842 CB PRO A 58 -10.884 -0.435 -8.410 1.00 0.00 C ATOM 843 CG PRO A 58 -11.111 -0.814 -6.956 1.00 0.00 C ATOM 844 CD PRO A 58 -10.074 -1.859 -6.578 1.00 0.00 C ATOM 0 HA PRO A 58 -9.522 -1.395 -9.786 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.918 0.647 -8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.659 -0.858 -9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.020 0.063 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.118 -1.208 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.493 -1.545 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.544 -2.808 -6.320 1.00 0.00 H new ATOM 852 N VAL A 59 -8.665 1.108 -9.614 1.00 0.00 N ATOM 853 CA VAL A 59 -7.717 2.202 -9.741 1.00 0.00 C ATOM 854 C VAL A 59 -8.438 3.434 -10.295 1.00 0.00 C ATOM 855 O VAL A 59 -8.215 4.549 -9.828 1.00 0.00 O ATOM 856 CB VAL A 59 -6.528 1.768 -10.600 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.668 2.971 -10.994 1.00 0.00 C ATOM 858 CG2 VAL A 59 -5.692 0.707 -9.883 1.00 0.00 C ATOM 0 H VAL A 59 -9.501 1.199 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.313 2.473 -8.765 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.920 1.323 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.830 2.635 -11.604 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.271 3.678 -11.564 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.290 3.458 -10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.853 0.416 -10.515 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.315 1.114 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.311 -0.166 -9.677 1.00 0.00 H new ATOM 868 N SER A 60 -9.285 3.188 -11.282 1.00 0.00 N ATOM 869 CA SER A 60 -10.040 4.264 -11.905 1.00 0.00 C ATOM 870 C SER A 60 -10.310 5.372 -10.886 1.00 0.00 C ATOM 871 O SER A 60 -10.027 6.541 -11.144 1.00 0.00 O ATOM 872 CB SER A 60 -11.356 3.747 -12.489 1.00 0.00 C ATOM 873 OG SER A 60 -11.998 2.819 -11.618 1.00 0.00 O ATOM 0 H SER A 60 -9.466 2.261 -11.667 1.00 0.00 H new ATOM 0 HA SER A 60 -9.445 4.670 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.023 4.588 -12.679 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.164 3.269 -13.450 1.00 0.00 H new ATOM 0 HG SER A 60 -12.835 2.513 -12.025 1.00 0.00 H new ATOM 879 N GLU A 61 -10.854 4.966 -9.748 1.00 0.00 N ATOM 880 CA GLU A 61 -11.165 5.910 -8.689 1.00 0.00 C ATOM 881 C GLU A 61 -11.705 5.173 -7.461 1.00 0.00 C ATOM 882 O GLU A 61 -12.909 5.177 -7.211 1.00 0.00 O ATOM 883 CB GLU A 61 -12.158 6.970 -9.172 1.00 0.00 C ATOM 884 CG GLU A 61 -11.587 8.377 -8.995 1.00 0.00 C ATOM 885 CD GLU A 61 -12.646 9.441 -9.292 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.784 9.259 -8.806 1.00 0.00 O ATOM 887 OE2 GLU A 61 -12.295 10.411 -9.997 1.00 0.00 O ATOM 0 H GLU A 61 -11.087 3.996 -9.537 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.246 6.423 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.395 6.799 -10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.091 6.880 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.220 8.499 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.734 8.513 -9.659 1.00 0.00 H new ATOM 894 N PHE A 62 -10.789 4.556 -6.730 1.00 0.00 N ATOM 895 CA PHE A 62 -11.158 3.816 -5.535 1.00 0.00 C ATOM 896 C PHE A 62 -11.099 4.710 -4.296 1.00 0.00 C ATOM 897 O PHE A 62 -10.944 5.925 -4.410 1.00 0.00 O ATOM 898 CB PHE A 62 -10.142 2.682 -5.380 1.00 0.00 C ATOM 899 CG PHE A 62 -8.686 3.129 -5.519 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.184 4.081 -4.687 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.891 2.574 -6.473 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.832 4.496 -4.815 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.539 2.988 -6.601 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.038 3.940 -5.770 1.00 0.00 C ATOM 0 H PHE A 62 -9.791 4.553 -6.942 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.177 3.440 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.277 2.218 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.350 1.917 -6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.814 4.522 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.289 1.818 -7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.434 5.252 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.909 2.547 -7.359 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.010 4.255 -5.868 1.00 0.00 H new ATOM 914 N ASP A 63 -11.227 4.075 -3.140 1.00 0.00 N ATOM 915 CA ASP A 63 -11.191 4.798 -1.880 1.00 0.00 C ATOM 916 C ASP A 63 -9.734 5.026 -1.470 1.00 0.00 C ATOM 917 O ASP A 63 -9.192 4.281 -0.656 1.00 0.00 O ATOM 918 CB ASP A 63 -11.876 4.002 -0.768 1.00 0.00 C ATOM 919 CG ASP A 63 -12.436 4.843 0.380 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.344 6.086 0.270 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.943 4.228 1.341 1.00 0.00 O ATOM 0 H ASP A 63 -11.356 3.067 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.713 5.745 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.690 3.423 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.161 3.288 -0.360 1.00 0.00 H new ATOM 926 N ARG A 64 -9.144 6.058 -2.054 1.00 0.00 N ATOM 927 CA ARG A 64 -7.761 6.394 -1.760 1.00 0.00 C ATOM 928 C ARG A 64 -7.518 6.368 -0.249 1.00 0.00 C ATOM 929 O ARG A 64 -6.389 6.176 0.199 1.00 0.00 O ATOM 930 CB ARG A 64 -7.402 7.778 -2.303 1.00 0.00 C ATOM 931 CG ARG A 64 -8.555 8.763 -2.098 1.00 0.00 C ATOM 932 CD ARG A 64 -8.101 9.978 -1.286 1.00 0.00 C ATOM 933 NE ARG A 64 -9.227 10.497 -0.480 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.138 11.369 -0.933 1.00 0.00 C ATOM 935 NH1 ARG A 64 -10.060 11.824 -2.192 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.126 11.785 -0.131 1.00 0.00 N ATOM 0 H ARG A 64 -9.598 6.673 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.129 5.651 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.508 8.149 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.165 7.706 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.935 9.090 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.377 8.264 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.273 9.701 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.733 10.756 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.316 10.170 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.308 11.506 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.753 12.488 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.186 11.438 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.819 12.449 -0.477 1.00 0.00 H new ATOM 950 N LYS A 65 -8.597 6.565 0.495 1.00 0.00 N ATOM 951 CA LYS A 65 -8.516 6.566 1.946 1.00 0.00 C ATOM 952 C LYS A 65 -7.972 5.219 2.423 1.00 0.00 C ATOM 953 O LYS A 65 -7.236 5.155 3.406 1.00 0.00 O ATOM 954 CB LYS A 65 -9.869 6.935 2.558 1.00 0.00 C ATOM 955 CG LYS A 65 -9.996 6.384 3.979 1.00 0.00 C ATOM 956 CD LYS A 65 -10.695 7.389 4.896 1.00 0.00 C ATOM 957 CE LYS A 65 -9.712 7.981 5.910 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.706 9.458 5.822 1.00 0.00 N ATOM 0 H LYS A 65 -9.532 6.725 0.120 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.819 7.331 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.982 8.019 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.673 6.539 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.558 5.450 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.006 6.154 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.133 8.189 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.514 6.899 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.989 7.672 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.710 7.595 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.035 9.844 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.420 9.748 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.659 9.822 6.023 1.00 0.00 H new ATOM 972 N GLU A 66 -8.355 4.173 1.704 1.00 0.00 N ATOM 973 CA GLU A 66 -7.915 2.831 2.042 1.00 0.00 C ATOM 974 C GLU A 66 -6.517 2.573 1.479 1.00 0.00 C ATOM 975 O GLU A 66 -5.776 1.742 2.004 1.00 0.00 O ATOM 976 CB GLU A 66 -8.911 1.784 1.538 1.00 0.00 C ATOM 977 CG GLU A 66 -8.398 0.367 1.802 1.00 0.00 C ATOM 978 CD GLU A 66 -9.561 -0.614 1.970 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.454 -0.591 1.095 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.529 -1.366 2.968 1.00 0.00 O ATOM 0 H GLU A 66 -8.965 4.229 0.889 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.869 2.748 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.873 1.924 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.078 1.921 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.763 0.046 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.780 0.361 2.700 1.00 0.00 H new ATOM 987 N TRP A 67 -6.197 3.301 0.420 1.00 0.00 N ATOM 988 CA TRP A 67 -4.899 3.161 -0.219 1.00 0.00 C ATOM 989 C TRP A 67 -4.031 4.346 0.209 1.00 0.00 C ATOM 990 O TRP A 67 -3.008 4.628 -0.414 1.00 0.00 O ATOM 991 CB TRP A 67 -5.046 3.046 -1.738 1.00 0.00 C ATOM 992 CG TRP A 67 -6.159 2.097 -2.186 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.426 2.401 -2.501 1.00 0.00 C ATOM 994 CD2 TRP A 67 -6.053 0.667 -2.356 1.00 0.00 C ATOM 995 NE1 TRP A 67 -8.141 1.276 -2.861 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.280 0.189 -2.770 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.958 -0.193 -2.167 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.527 -1.164 -3.029 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -5.221 -1.542 -2.430 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.450 -2.039 -2.848 1.00 0.00 C ATOM 0 H TRP A 67 -6.813 3.989 -0.012 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.411 2.239 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.240 4.036 -2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.100 2.705 -2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.836 3.400 -2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -9.121 1.248 -3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.990 0.159 -1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.497 -1.514 -3.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.413 -2.246 -2.299 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.573 -3.096 -3.032 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.470 5.007 1.270 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.746 6.154 1.788 1.00 0.00 C ATOM 1013 C ASP A 68 -2.805 5.696 2.906 1.00 0.00 C ATOM 1014 O ASP A 68 -1.743 6.283 3.108 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.705 7.193 2.375 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.117 8.059 3.491 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.927 8.421 3.361 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.870 8.340 4.448 1.00 0.00 O ATOM 0 H ASP A 68 -5.318 4.770 1.785 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.190 6.601 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.046 7.845 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.584 6.677 2.761 1.00 0.00 H new ATOM 1023 N THR A 69 -3.230 4.651 3.601 1.00 0.00 N ATOM 1024 CA THR A 69 -2.438 4.108 4.693 1.00 0.00 C ATOM 1025 C THR A 69 -1.971 2.691 4.357 1.00 0.00 C ATOM 1026 O THR A 69 -2.555 2.026 3.502 1.00 0.00 O ATOM 1027 CB THR A 69 -3.278 4.185 5.969 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.623 4.097 5.507 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.203 5.559 6.638 1.00 0.00 C ATOM 0 H THR A 69 -4.111 4.166 3.430 1.00 0.00 H new ATOM 0 HA THR A 69 -1.529 4.688 4.850 1.00 0.00 H new ATOM 0 HB THR A 69 -2.942 3.421 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.228 4.448 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.817 5.559 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.169 5.778 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.570 6.320 5.949 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.895 2.258 5.067 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.343 0.930 4.853 1.00 0.00 C ATOM 1039 C PRO A 70 -1.233 -0.143 5.483 1.00 0.00 C ATOM 1040 O PRO A 70 -1.366 -1.240 4.943 1.00 0.00 O ATOM 1041 CB PRO A 70 1.048 0.980 5.464 1.00 0.00 C ATOM 1042 CG PRO A 70 1.049 2.176 6.402 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.178 3.016 6.088 1.00 0.00 C ATOM 0 HA PRO A 70 -0.292 0.661 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.270 0.060 6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.810 1.089 4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.030 1.846 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.958 2.764 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.793 3.165 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.102 4.005 5.724 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.821 0.212 6.616 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.695 -0.707 7.325 1.00 0.00 C ATOM 1053 C ASN A 71 -3.950 -0.959 6.487 1.00 0.00 C ATOM 1054 O ASN A 71 -4.286 -2.106 6.196 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.135 -0.123 8.669 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.511 -0.896 9.833 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -1.774 -1.850 9.653 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.848 -0.432 11.033 1.00 0.00 N ATOM 0 H ASN A 71 -1.709 1.123 7.060 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.144 -1.632 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.844 0.926 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.222 -0.157 8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.484 -0.880 11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.471 0.372 11.112 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.610 0.132 6.123 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.819 0.043 5.324 1.00 0.00 C ATOM 1067 C LYS A 72 -5.541 -0.797 4.076 1.00 0.00 C ATOM 1068 O LYS A 72 -6.435 -1.470 3.564 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.362 1.440 5.017 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.593 1.751 5.872 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.958 3.234 5.788 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.841 3.905 7.158 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.750 3.259 8.131 1.00 0.00 N ATOM 0 H LYS A 72 -4.329 1.082 6.367 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.607 -0.465 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.588 2.184 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.622 1.509 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.435 1.146 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.398 1.479 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.301 3.734 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.975 3.341 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.813 3.841 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.084 4.964 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.068 3.962 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.575 2.870 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.247 2.490 8.618 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.298 -0.730 3.622 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.890 -1.476 2.444 1.00 0.00 C ATOM 1089 C ILE A 73 -3.622 -2.930 2.833 1.00 0.00 C ATOM 1090 O ILE A 73 -4.051 -3.852 2.140 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.704 -0.793 1.761 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.168 0.390 0.908 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.884 -1.799 0.949 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -2.032 0.905 0.022 1.00 0.00 C ATOM 0 H ILE A 73 -3.560 -0.170 4.049 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.691 -1.487 1.704 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.049 -0.394 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.010 0.087 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.522 1.193 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.047 -1.287 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.505 -2.578 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.516 -2.250 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.388 1.745 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.201 1.230 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.697 0.107 -0.640 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.914 -3.092 3.941 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.583 -4.419 4.431 1.00 0.00 C ATOM 1108 C ILE A 74 -3.873 -5.204 4.677 1.00 0.00 C ATOM 1109 O ILE A 74 -3.868 -6.433 4.663 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.676 -4.326 5.660 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.201 -4.410 5.262 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -2.050 -5.385 6.699 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.678 -3.640 6.248 1.00 0.00 C ATOM 0 H ILE A 74 -2.560 -2.326 4.514 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.012 -4.969 3.683 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.829 -3.351 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.112 -5.454 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.068 -4.006 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.390 -5.297 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.083 -5.236 7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.944 -6.378 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.721 -3.716 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.379 -2.592 6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.561 -4.062 7.246 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.948 -4.460 4.897 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.242 -5.071 5.145 1.00 0.00 C ATOM 1127 C ALA A 75 -6.928 -5.364 3.810 1.00 0.00 C ATOM 1128 O ALA A 75 -7.978 -6.003 3.773 1.00 0.00 O ATOM 1129 CB ALA A 75 -7.077 -4.151 6.040 1.00 0.00 C ATOM 0 H ALA A 75 -4.948 -3.440 4.908 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.124 -6.019 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.048 -4.609 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.560 -3.998 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.218 -3.191 5.544 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.306 -4.883 2.744 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.843 -5.086 1.408 1.00 0.00 C ATOM 1137 C LYS A 76 -6.081 -6.223 0.724 1.00 0.00 C ATOM 1138 O LYS A 76 -6.529 -6.752 -0.292 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.828 -3.774 0.620 1.00 0.00 C ATOM 1140 CG LYS A 76 -8.188 -3.077 0.691 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.305 -4.001 0.202 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.312 -3.237 -0.660 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.678 -3.768 -0.455 1.00 0.00 N ATOM 0 H LYS A 76 -5.435 -4.353 2.778 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.889 -5.389 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.056 -3.115 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.571 -3.973 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.389 -2.769 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.169 -2.172 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.877 -4.821 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.815 -4.444 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.286 -2.177 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.037 -3.321 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.349 -3.238 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.703 -4.774 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.944 -3.666 0.545 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.943 -6.565 1.309 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.114 -7.630 0.768 1.00 0.00 C ATOM 1159 C VAL A 77 -4.524 -8.961 1.403 1.00 0.00 C ATOM 1160 O VAL A 77 -4.551 -9.990 0.731 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.636 -7.299 0.975 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.740 -8.371 0.349 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.301 -5.914 0.418 1.00 0.00 C ATOM 0 H VAL A 77 -4.575 -6.124 2.152 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.264 -7.723 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.444 -7.285 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.694 -8.111 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.950 -9.336 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.938 -8.431 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.244 -5.703 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.518 -5.889 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.902 -5.161 0.928 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.832 -8.896 2.690 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.238 -10.083 3.423 1.00 0.00 C ATOM 1175 C GLU A 78 -6.736 -10.335 3.237 1.00 0.00 C ATOM 1176 O GLU A 78 -7.220 -11.435 3.496 1.00 0.00 O ATOM 1177 CB GLU A 78 -4.882 -9.960 4.906 1.00 0.00 C ATOM 1178 CG GLU A 78 -5.486 -8.692 5.511 1.00 0.00 C ATOM 1179 CD GLU A 78 -6.460 -9.034 6.641 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -5.971 -9.195 7.781 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -7.669 -9.127 6.341 1.00 0.00 O ATOM 0 H GLU A 78 -4.809 -8.040 3.244 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.693 -10.938 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.247 -10.834 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.798 -9.943 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.690 -8.052 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.005 -8.127 4.737 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.427 -9.295 2.792 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.860 -9.390 2.569 1.00 0.00 C ATOM 1190 C GLN A 79 -9.151 -9.652 1.090 1.00 0.00 C ATOM 1191 O GLN A 79 -10.264 -9.417 0.622 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.575 -8.127 3.053 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.082 -8.362 3.174 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.491 -8.559 4.635 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.795 -9.653 5.080 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.480 -7.440 5.355 1.00 0.00 N ATOM 0 H GLN A 79 -7.021 -8.383 2.580 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.243 -10.230 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.172 -7.824 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.386 -7.309 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.621 -7.513 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.365 -9.239 2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.215 -6.556 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.736 -7.466 6.342 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.131 -10.135 0.395 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.264 -10.431 -1.021 1.00 0.00 C ATOM 1207 C ALA A 80 -8.004 -11.921 -1.252 1.00 0.00 C ATOM 1208 O ALA A 80 -8.700 -12.562 -2.038 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.310 -9.542 -1.820 1.00 0.00 C ATOM 0 H ALA A 80 -7.209 -10.329 0.787 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.275 -10.215 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.410 -9.764 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.555 -8.495 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.284 -9.733 -1.504 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.998 -12.429 -0.553 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.637 -13.832 -0.673 1.00 0.00 C ATOM 1217 C GLN A 81 -7.893 -14.704 -0.683 1.00 0.00 C ATOM 1218 O GLN A 81 -8.017 -15.613 -1.502 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.687 -14.251 0.450 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.466 -13.330 0.507 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.977 -12.980 -0.899 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.351 -13.773 -1.583 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -4.296 -11.749 -1.292 1.00 0.00 N ATOM 0 H GLN A 81 -6.422 -11.894 0.098 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.113 -13.973 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.212 -14.224 1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.364 -15.280 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.720 -12.417 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.665 -13.816 1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.822 -11.135 -0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.014 -11.419 -2.215 1.00 0.00 H new