USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 54 ASN : amide:sc= -1.16 K(o=-0.049,f=0.97) USER MOD Set 1.2: A 75 SER OG : rot 60:sc= 1.11 USER MOD Single : A 4 THR OG1 : rot -131:sc= 0.673 USER MOD Single : A 8 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.23) USER MOD Single : A 9 GLN : amide:sc= -0.205 K(o=-0.21,f=-3.9!) USER MOD Single : A 11 SER OG : rot -86:sc= -1.12 USER MOD Single : A 14 SER OG : rot 151:sc= 0.966 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 23 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 34 SER OG : rot -119:sc= 1.23 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 39 SER OG : rot -78:sc= 1.15 USER MOD Single : A 42 TYR OH : rot 63:sc= 0.562 USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.898 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 50 GLN : amide:sc= -3.52! C(o=-3.5!,f=-14!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0833! X(o=0.083!,f=-0.31) USER MOD Single : A 60 ASN : amide:sc= 1.24 K(o=1.2,f=-8.5!) USER MOD Single : A 62 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.31) USER MOD Single : A 65 CYS SG : rot -115:sc= -0.599 USER MOD Single : A 67 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 69 ASN : amide:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 74 ASN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ARG A 3 36.357 -4.027 -1.801 1.00 0.00 N ATOM 25 CA ARG A 3 35.947 -2.617 -1.900 1.00 0.00 C ATOM 26 C ARG A 3 37.169 -1.712 -1.834 1.00 0.00 C ATOM 27 O ARG A 3 37.483 -0.994 -2.780 1.00 0.00 O ATOM 28 CB ARG A 3 34.960 -2.230 -0.790 1.00 0.00 C ATOM 29 CG ARG A 3 34.651 -0.736 -0.733 1.00 0.00 C ATOM 30 CD ARG A 3 34.561 -0.249 0.703 1.00 0.00 C ATOM 31 NE ARG A 3 34.264 1.181 0.775 1.00 0.00 N ATOM 32 CZ ARG A 3 35.167 2.122 1.063 1.00 0.00 C ATOM 33 NH1 ARG A 3 36.435 1.794 1.283 1.00 0.00 N ATOM 34 NH2 ARG A 3 34.801 3.397 1.124 1.00 0.00 N ATOM 0 HA ARG A 3 35.443 -2.489 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 3 34.030 -2.779 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 3 35.367 -2.544 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 3 35.427 -0.181 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 3 33.711 -0.536 -1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 3 33.786 -0.808 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 3 35.502 -0.451 1.215 1.00 0.00 H new ATOM 0 HE ARG A 3 33.306 1.479 0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 3 36.725 0.817 1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 3 37.119 2.519 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 3 33.830 3.658 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 3 35.491 4.116 1.344 1.00 0.00 H new ATOM 48 N THR A 4 37.849 -1.761 -0.703 1.00 0.00 N ATOM 49 CA THR A 4 39.060 -1.006 -0.495 1.00 0.00 C ATOM 50 C THR A 4 40.235 -1.724 -1.160 1.00 0.00 C ATOM 51 O THR A 4 41.040 -2.377 -0.484 1.00 0.00 O ATOM 52 CB THR A 4 39.321 -0.840 1.016 1.00 0.00 C ATOM 53 OG1 THR A 4 38.103 -0.448 1.675 1.00 0.00 O ATOM 54 CG2 THR A 4 40.397 0.201 1.287 1.00 0.00 C ATOM 0 H THR A 4 37.571 -2.329 0.097 1.00 0.00 H new ATOM 0 HA THR A 4 38.951 -0.018 -0.942 1.00 0.00 H new ATOM 0 HB THR A 4 39.669 -1.798 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 4 38.278 0.321 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 4 40.554 0.291 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 4 41.328 -0.105 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 4 40.081 1.164 0.885 1.00 0.00 H new ATOM 62 N CYS A 5 40.265 -1.658 -2.496 1.00 0.00 N ATOM 63 CA CYS A 5 41.335 -2.244 -3.309 1.00 0.00 C ATOM 64 C CYS A 5 41.260 -3.783 -3.299 1.00 0.00 C ATOM 65 O CYS A 5 40.700 -4.376 -2.375 1.00 0.00 O ATOM 66 CB CYS A 5 42.703 -1.746 -2.810 1.00 0.00 C ATOM 67 SG CYS A 5 43.783 -1.019 -4.092 1.00 0.00 S ATOM 0 H CYS A 5 39.543 -1.193 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 5 41.206 -1.922 -4.342 1.00 0.00 H new ATOM 0 HB2 CYS A 5 42.538 -1.001 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 5 43.228 -2.581 -2.346 1.00 0.00 H new ATOM 72 N PRO A 6 41.784 -4.448 -4.354 1.00 0.00 N ATOM 73 CA PRO A 6 41.834 -5.923 -4.442 1.00 0.00 C ATOM 74 C PRO A 6 42.516 -6.580 -3.228 1.00 0.00 C ATOM 75 O PRO A 6 43.046 -5.887 -2.362 1.00 0.00 O ATOM 76 CB PRO A 6 42.653 -6.170 -5.716 1.00 0.00 C ATOM 77 CG PRO A 6 42.458 -4.950 -6.539 1.00 0.00 C ATOM 78 CD PRO A 6 42.340 -3.813 -5.566 1.00 0.00 C ATOM 0 HA PRO A 6 40.835 -6.358 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 6 43.707 -6.326 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.307 -7.060 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 6 43.297 -4.798 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 6 41.562 -5.033 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 6 43.308 -3.352 -5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 6 41.685 -3.028 -5.944 1.00 0.00 H new ATOM 86 N PRO A 7 42.494 -7.933 -3.142 1.00 0.00 N ATOM 87 CA PRO A 7 43.092 -8.685 -2.023 1.00 0.00 C ATOM 88 C PRO A 7 44.473 -8.175 -1.601 1.00 0.00 C ATOM 89 O PRO A 7 44.641 -7.680 -0.488 1.00 0.00 O ATOM 90 CB PRO A 7 43.193 -10.101 -2.579 1.00 0.00 C ATOM 91 CG PRO A 7 42.048 -10.213 -3.522 1.00 0.00 C ATOM 92 CD PRO A 7 41.851 -8.842 -4.117 1.00 0.00 C ATOM 0 HA PRO A 7 42.491 -8.593 -1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 7 44.144 -10.261 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 7 43.128 -10.845 -1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 7 42.256 -10.948 -4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 7 41.148 -10.544 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 7 42.313 -8.764 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 7 40.794 -8.609 -4.242 1.00 0.00 H new ATOM 100 N ASN A 8 45.450 -8.267 -2.500 1.00 0.00 N ATOM 101 CA ASN A 8 46.823 -7.855 -2.200 1.00 0.00 C ATOM 102 C ASN A 8 46.985 -6.356 -2.447 1.00 0.00 C ATOM 103 O ASN A 8 48.070 -5.861 -2.759 1.00 0.00 O ATOM 104 CB ASN A 8 47.811 -8.664 -3.058 1.00 0.00 C ATOM 105 CG ASN A 8 49.252 -8.572 -2.571 1.00 0.00 C ATOM 106 OD1 ASN A 8 49.661 -9.301 -1.675 1.00 0.00 O ATOM 107 ND2 ASN A 8 50.038 -7.696 -3.178 1.00 0.00 N ATOM 0 H ASN A 8 45.318 -8.624 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 8 47.038 -8.053 -1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 8 47.504 -9.710 -3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 8 47.760 -8.311 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 8 51.017 -7.613 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 8 49.665 -7.104 -3.920 1.00 0.00 H new ATOM 114 N GLN A 9 45.900 -5.623 -2.279 1.00 0.00 N ATOM 115 CA GLN A 9 45.895 -4.200 -2.542 1.00 0.00 C ATOM 116 C GLN A 9 45.300 -3.419 -1.376 1.00 0.00 C ATOM 117 O GLN A 9 44.516 -3.945 -0.581 1.00 0.00 O ATOM 118 CB GLN A 9 45.111 -3.887 -3.811 1.00 0.00 C ATOM 119 CG GLN A 9 45.970 -3.630 -5.032 1.00 0.00 C ATOM 120 CD GLN A 9 46.297 -4.893 -5.802 1.00 0.00 C ATOM 121 OE1 GLN A 9 45.587 -5.274 -6.726 1.00 0.00 O ATOM 122 NE2 GLN A 9 47.362 -5.565 -5.419 1.00 0.00 N ATOM 0 H GLN A 9 45.006 -5.995 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 9 46.933 -3.894 -2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 9 44.440 -4.719 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 9 44.487 -3.012 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 9 45.455 -2.932 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 9 46.898 -3.149 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 9 47.932 -5.221 -4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 9 47.618 -6.430 -5.895 1.00 0.00 H new ATOM 131 N PHE A 10 45.673 -2.155 -1.312 1.00 0.00 N ATOM 132 CA PHE A 10 45.246 -1.244 -0.275 1.00 0.00 C ATOM 133 C PHE A 10 44.849 0.089 -0.901 1.00 0.00 C ATOM 134 O PHE A 10 45.564 0.633 -1.733 1.00 0.00 O ATOM 135 CB PHE A 10 46.385 -1.044 0.729 1.00 0.00 C ATOM 136 CG PHE A 10 46.163 0.083 1.692 1.00 0.00 C ATOM 137 CD1 PHE A 10 45.331 -0.072 2.788 1.00 0.00 C ATOM 138 CD2 PHE A 10 46.794 1.300 1.498 1.00 0.00 C ATOM 139 CE1 PHE A 10 45.132 0.968 3.672 1.00 0.00 C ATOM 140 CE2 PHE A 10 46.598 2.341 2.377 1.00 0.00 C ATOM 141 CZ PHE A 10 45.767 2.176 3.465 1.00 0.00 C ATOM 0 H PHE A 10 46.296 -1.726 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 10 44.384 -1.658 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 10 46.524 -1.967 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 10 47.310 -0.862 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 10 44.833 -1.016 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 10 47.447 1.434 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 10 44.481 0.837 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 10 47.095 3.286 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 10 45.613 2.992 4.155 1.00 0.00 H new ATOM 151 N SER A 11 43.718 0.619 -0.497 1.00 0.00 N ATOM 152 CA SER A 11 43.236 1.869 -1.037 1.00 0.00 C ATOM 153 C SER A 11 43.425 3.005 -0.051 1.00 0.00 C ATOM 154 O SER A 11 42.901 2.970 1.063 1.00 0.00 O ATOM 155 CB SER A 11 41.753 1.778 -1.397 1.00 0.00 C ATOM 156 OG SER A 11 41.536 0.922 -2.495 1.00 0.00 O ATOM 0 H SER A 11 43.111 0.201 0.208 1.00 0.00 H new ATOM 0 HA SER A 11 43.819 2.069 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.191 1.416 -0.536 1.00 0.00 H new ATOM 0 HB3 SER A 11 41.373 2.773 -1.630 1.00 0.00 H new ATOM 0 HG SER A 11 41.649 1.424 -3.329 1.00 0.00 H new ATOM 162 N CYS A 12 44.187 4.002 -0.471 1.00 0.00 N ATOM 163 CA CYS A 12 44.250 5.262 0.255 1.00 0.00 C ATOM 164 C CYS A 12 42.836 5.831 0.339 1.00 0.00 C ATOM 165 O CYS A 12 42.041 5.609 -0.583 1.00 0.00 O ATOM 166 CB CYS A 12 45.211 6.253 -0.431 1.00 0.00 C ATOM 167 SG CYS A 12 45.032 7.995 0.110 1.00 0.00 S ATOM 0 H CYS A 12 44.769 3.965 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 12 44.641 5.093 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 12 46.236 5.932 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 12 45.053 6.204 -1.508 1.00 0.00 H new ATOM 172 N ALA A 13 42.569 6.594 1.405 1.00 0.00 N ATOM 173 CA ALA A 13 41.209 6.976 1.838 1.00 0.00 C ATOM 174 C ALA A 13 40.174 6.996 0.712 1.00 0.00 C ATOM 175 O ALA A 13 40.004 8.009 0.029 1.00 0.00 O ATOM 176 CB ALA A 13 41.257 8.337 2.512 1.00 0.00 C ATOM 0 H ALA A 13 43.301 6.973 2.005 1.00 0.00 H new ATOM 0 HA ALA A 13 40.882 6.203 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 13 40.254 8.620 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 13 41.915 8.290 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 13 41.636 9.078 1.809 1.00 0.00 H new ATOM 182 N SER A 14 39.523 5.830 0.546 1.00 0.00 N ATOM 183 CA SER A 14 38.455 5.588 -0.435 1.00 0.00 C ATOM 184 C SER A 14 38.585 6.453 -1.686 1.00 0.00 C ATOM 185 O SER A 14 37.859 7.429 -1.856 1.00 0.00 O ATOM 186 CB SER A 14 37.076 5.775 0.205 1.00 0.00 C ATOM 187 OG SER A 14 36.997 5.107 1.462 1.00 0.00 O ATOM 0 H SER A 14 39.734 5.006 1.109 1.00 0.00 H new ATOM 0 HA SER A 14 38.563 4.552 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 14 36.877 6.838 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 14 36.306 5.390 -0.464 1.00 0.00 H new ATOM 0 HG SER A 14 36.363 5.577 2.043 1.00 0.00 H new ATOM 193 N GLY A 15 39.528 6.096 -2.543 1.00 0.00 N ATOM 194 CA GLY A 15 39.718 6.824 -3.781 1.00 0.00 C ATOM 195 C GLY A 15 40.908 6.308 -4.554 1.00 0.00 C ATOM 196 O GLY A 15 40.842 6.112 -5.764 1.00 0.00 O ATOM 0 H GLY A 15 40.167 5.313 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.821 6.740 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.857 7.883 -3.563 1.00 0.00 H new ATOM 200 N ARG A 16 42.003 6.087 -3.844 1.00 0.00 N ATOM 201 CA ARG A 16 43.217 5.570 -4.450 1.00 0.00 C ATOM 202 C ARG A 16 43.195 4.051 -4.361 1.00 0.00 C ATOM 203 O ARG A 16 42.249 3.485 -3.817 1.00 0.00 O ATOM 204 CB ARG A 16 44.464 6.136 -3.756 1.00 0.00 C ATOM 205 CG ARG A 16 44.573 7.661 -3.799 1.00 0.00 C ATOM 206 CD ARG A 16 43.556 8.342 -2.883 1.00 0.00 C ATOM 207 NE ARG A 16 43.700 9.796 -2.866 1.00 0.00 N ATOM 208 CZ ARG A 16 42.865 10.618 -2.225 1.00 0.00 C ATOM 209 NH1 ARG A 16 41.827 10.127 -1.552 1.00 0.00 N ATOM 210 NH2 ARG A 16 43.071 11.932 -2.256 1.00 0.00 N ATOM 0 H ARG A 16 42.074 6.259 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 16 43.260 5.878 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 16 44.464 5.813 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 16 45.351 5.707 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 16 45.580 7.959 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 16 44.424 8.005 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 16 42.549 8.084 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 16 43.671 7.957 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 16 44.484 10.207 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 16 41.667 9.120 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 16 41.191 10.758 -1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 16 43.867 12.312 -2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 16 42.433 12.560 -1.767 1.00 0.00 H new ATOM 224 N CYS A 17 44.223 3.392 -4.869 1.00 0.00 N ATOM 225 CA CYS A 17 44.258 1.934 -4.869 1.00 0.00 C ATOM 226 C CYS A 17 45.661 1.449 -5.217 1.00 0.00 C ATOM 227 O CYS A 17 46.040 1.384 -6.386 1.00 0.00 O ATOM 228 CB CYS A 17 43.227 1.395 -5.871 1.00 0.00 C ATOM 229 SG CYS A 17 42.512 -0.234 -5.461 1.00 0.00 S ATOM 0 H CYS A 17 45.041 3.837 -5.285 1.00 0.00 H new ATOM 0 HA CYS A 17 44.005 1.561 -3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.416 2.118 -5.955 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.699 1.329 -6.851 1.00 0.00 H new ATOM 234 N ILE A 18 46.437 1.156 -4.185 1.00 0.00 N ATOM 235 CA ILE A 18 47.814 0.734 -4.339 1.00 0.00 C ATOM 236 C ILE A 18 47.942 -0.719 -3.884 1.00 0.00 C ATOM 237 O ILE A 18 47.031 -1.243 -3.265 1.00 0.00 O ATOM 238 CB ILE A 18 48.729 1.623 -3.471 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.720 1.125 -2.029 1.00 0.00 C ATOM 240 CG2 ILE A 18 48.243 3.067 -3.530 1.00 0.00 C ATOM 241 CD1 ILE A 18 49.819 1.710 -1.198 1.00 0.00 C ATOM 0 H ILE A 18 46.125 1.205 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 18 48.110 0.824 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 18 49.749 1.574 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 18 47.760 1.367 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 18 48.809 0.039 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.890 3.694 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 18 48.270 3.418 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 18 47.221 3.123 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.757 1.316 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.783 1.446 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 18 49.718 2.795 -1.173 1.00 0.00 H new ATOM 253 N PRO A 19 49.041 -1.409 -4.199 1.00 0.00 N ATOM 254 CA PRO A 19 49.306 -2.742 -3.651 1.00 0.00 C ATOM 255 C PRO A 19 49.686 -2.685 -2.165 1.00 0.00 C ATOM 256 O PRO A 19 50.373 -1.763 -1.733 1.00 0.00 O ATOM 257 CB PRO A 19 50.483 -3.255 -4.502 1.00 0.00 C ATOM 258 CG PRO A 19 50.578 -2.310 -5.655 1.00 0.00 C ATOM 259 CD PRO A 19 50.080 -0.993 -5.141 1.00 0.00 C ATOM 0 HA PRO A 19 48.430 -3.389 -3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 19 51.408 -3.267 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.306 -4.275 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 51.605 -2.228 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.976 -2.656 -6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.869 -0.421 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.681 -0.368 -5.939 1.00 0.00 H new ATOM 267 N ILE A 20 49.237 -3.681 -1.387 1.00 0.00 N ATOM 268 CA ILE A 20 49.573 -3.776 0.043 1.00 0.00 C ATOM 269 C ILE A 20 51.087 -3.717 0.231 1.00 0.00 C ATOM 270 O ILE A 20 51.596 -3.195 1.223 1.00 0.00 O ATOM 271 CB ILE A 20 49.053 -5.103 0.656 1.00 0.00 C ATOM 272 CG1 ILE A 20 47.524 -5.172 0.620 1.00 0.00 C ATOM 273 CG2 ILE A 20 49.538 -5.262 2.089 1.00 0.00 C ATOM 274 CD1 ILE A 20 46.848 -4.290 1.650 1.00 0.00 C ATOM 0 H ILE A 20 48.638 -4.435 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 20 49.095 -2.937 0.549 1.00 0.00 H new ATOM 0 HB ILE A 20 49.451 -5.918 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 20 47.180 -4.884 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 20 47.212 -6.204 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 20 49.161 -6.199 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.628 -5.271 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 20 49.173 -4.430 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 20 45.766 -4.392 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 20 47.162 -4.591 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 20 47.129 -3.251 1.480 1.00 0.00 H new ATOM 286 N SER A 21 51.782 -4.232 -0.772 1.00 0.00 N ATOM 287 CA SER A 21 53.234 -4.344 -0.788 1.00 0.00 C ATOM 288 C SER A 21 53.951 -2.991 -0.627 1.00 0.00 C ATOM 289 O SER A 21 55.164 -2.941 -0.447 1.00 0.00 O ATOM 290 CB SER A 21 53.620 -4.978 -2.123 1.00 0.00 C ATOM 291 OG SER A 21 52.802 -6.107 -2.401 1.00 0.00 O ATOM 0 H SER A 21 51.342 -4.593 -1.618 1.00 0.00 H new ATOM 0 HA SER A 21 53.546 -4.950 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 21 53.518 -4.244 -2.922 1.00 0.00 H new ATOM 0 HB3 SER A 21 54.667 -5.279 -2.098 1.00 0.00 H new ATOM 0 HG SER A 21 53.064 -6.497 -3.261 1.00 0.00 H new ATOM 297 N TRP A 22 53.194 -1.913 -0.686 1.00 0.00 N ATOM 298 CA TRP A 22 53.764 -0.563 -0.699 1.00 0.00 C ATOM 299 C TRP A 22 53.652 0.118 0.651 1.00 0.00 C ATOM 300 O TRP A 22 54.529 0.880 1.024 1.00 0.00 O ATOM 301 CB TRP A 22 53.056 0.307 -1.735 1.00 0.00 C ATOM 302 CG TRP A 22 53.288 -0.105 -3.149 1.00 0.00 C ATOM 303 CD1 TRP A 22 53.409 -1.372 -3.624 1.00 0.00 C ATOM 304 CD2 TRP A 22 53.411 0.762 -4.280 1.00 0.00 C ATOM 305 NE1 TRP A 22 53.596 -1.349 -4.976 1.00 0.00 N ATOM 306 CE2 TRP A 22 53.602 -0.054 -5.405 1.00 0.00 C ATOM 307 CE3 TRP A 22 53.369 2.145 -4.451 1.00 0.00 C ATOM 308 CZ2 TRP A 22 53.761 0.461 -6.685 1.00 0.00 C ATOM 309 CZ3 TRP A 22 53.529 2.663 -5.722 1.00 0.00 C ATOM 310 CH2 TRP A 22 53.717 1.821 -6.826 1.00 0.00 C ATOM 0 H TRP A 22 52.175 -1.938 -0.726 1.00 0.00 H new ATOM 0 HA TRP A 22 54.819 -0.674 -0.950 1.00 0.00 H new ATOM 0 HB2 TRP A 22 51.985 0.289 -1.535 1.00 0.00 H new ATOM 0 HB3 TRP A 22 53.386 1.339 -1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 22 53.364 -2.266 -3.020 1.00 0.00 H new ATOM 0 HE1 TRP A 22 53.713 -2.169 -5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.214 2.799 -3.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 53.913 -0.187 -7.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 53.509 3.733 -5.867 1.00 0.00 H new ATOM 0 HH2 TRP A 22 53.830 2.255 -7.809 1.00 0.00 H new ATOM 321 N THR A 23 52.567 -0.182 1.359 1.00 0.00 N ATOM 322 CA THR A 23 52.200 0.498 2.610 1.00 0.00 C ATOM 323 C THR A 23 53.409 0.914 3.441 1.00 0.00 C ATOM 324 O THR A 23 53.644 2.087 3.698 1.00 0.00 O ATOM 325 CB THR A 23 51.292 -0.411 3.465 1.00 0.00 C ATOM 326 OG1 THR A 23 51.876 -1.721 3.582 1.00 0.00 O ATOM 327 CG2 THR A 23 49.907 -0.528 2.848 1.00 0.00 C ATOM 0 H THR A 23 51.908 -0.910 1.083 1.00 0.00 H new ATOM 0 HA THR A 23 51.671 1.406 2.321 1.00 0.00 H new ATOM 0 HB THR A 23 51.198 0.037 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 23 51.758 -2.208 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.286 -1.174 3.469 1.00 0.00 H new ATOM 0 HG22 THR A 23 49.453 0.461 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.989 -0.955 1.848 1.00 0.00 H new ATOM 335 N CYS A 24 54.143 -0.072 3.878 1.00 0.00 N ATOM 336 CA CYS A 24 55.364 0.122 4.601 1.00 0.00 C ATOM 337 C CYS A 24 56.560 0.164 3.637 1.00 0.00 C ATOM 338 O CYS A 24 57.233 -0.850 3.450 1.00 0.00 O ATOM 339 CB CYS A 24 55.496 -1.036 5.596 1.00 0.00 C ATOM 340 SG CYS A 24 56.761 -0.835 6.881 1.00 0.00 S ATOM 0 H CYS A 24 53.901 -1.053 3.737 1.00 0.00 H new ATOM 0 HA CYS A 24 55.351 1.073 5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 24 54.532 -1.184 6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 24 55.714 -1.946 5.038 1.00 0.00 H new ATOM 345 N ASP A 25 56.788 1.302 2.971 1.00 0.00 N ATOM 346 CA ASP A 25 57.981 1.453 2.124 1.00 0.00 C ATOM 347 C ASP A 25 58.548 2.876 2.203 1.00 0.00 C ATOM 348 O ASP A 25 59.462 3.234 1.452 1.00 0.00 O ATOM 349 CB ASP A 25 57.697 1.021 0.668 1.00 0.00 C ATOM 350 CG ASP A 25 57.273 2.139 -0.281 1.00 0.00 C ATOM 351 OD1 ASP A 25 56.375 2.928 0.063 1.00 0.00 O ATOM 352 OD2 ASP A 25 57.829 2.188 -1.409 1.00 0.00 O ATOM 0 H ASP A 25 56.177 2.118 2.999 1.00 0.00 H new ATOM 0 HA ASP A 25 58.749 0.783 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 25 58.594 0.549 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.915 0.262 0.679 1.00 0.00 H new ATOM 357 N LEU A 26 57.999 3.652 3.149 1.00 0.00 N ATOM 358 CA LEU A 26 58.509 4.966 3.557 1.00 0.00 C ATOM 359 C LEU A 26 57.875 6.136 2.791 1.00 0.00 C ATOM 360 O LEU A 26 58.476 6.712 1.877 1.00 0.00 O ATOM 361 CB LEU A 26 60.053 5.025 3.563 1.00 0.00 C ATOM 362 CG LEU A 26 60.709 4.560 4.868 1.00 0.00 C ATOM 363 CD1 LEU A 26 62.221 4.567 4.729 1.00 0.00 C ATOM 364 CD2 LEU A 26 60.282 5.447 6.027 1.00 0.00 C ATOM 0 H LEU A 26 57.164 3.373 3.665 1.00 0.00 H new ATOM 0 HA LEU A 26 58.190 5.094 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.429 4.411 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 60.364 6.050 3.361 1.00 0.00 H new ATOM 0 HG LEU A 26 60.381 3.541 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 26 62.674 4.235 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 26 62.515 3.894 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 26 62.561 5.577 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 26 60.758 5.101 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 26 60.583 6.476 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 59.199 5.401 6.141 1.00 0.00 H new ATOM 376 N ASP A 27 56.627 6.442 3.186 1.00 0.00 N ATOM 377 CA ASP A 27 55.947 7.712 2.872 1.00 0.00 C ATOM 378 C ASP A 27 55.323 7.734 1.462 1.00 0.00 C ATOM 379 O ASP A 27 55.042 6.689 0.874 1.00 0.00 O ATOM 380 CB ASP A 27 56.921 8.895 3.067 1.00 0.00 C ATOM 381 CG ASP A 27 56.218 10.213 3.353 1.00 0.00 C ATOM 382 OD1 ASP A 27 55.883 10.471 4.528 1.00 0.00 O ATOM 383 OD2 ASP A 27 56.005 10.994 2.403 1.00 0.00 O ATOM 0 H ASP A 27 56.054 5.806 3.740 1.00 0.00 H new ATOM 0 HA ASP A 27 55.115 7.810 3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 27 57.599 8.667 3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 27 57.533 9.004 2.171 1.00 0.00 H new ATOM 388 N ASP A 28 55.053 8.956 0.982 1.00 0.00 N ATOM 389 CA ASP A 28 54.483 9.249 -0.344 1.00 0.00 C ATOM 390 C ASP A 28 53.006 8.861 -0.468 1.00 0.00 C ATOM 391 O ASP A 28 52.190 9.680 -0.906 1.00 0.00 O ATOM 392 CB ASP A 28 55.296 8.627 -1.483 1.00 0.00 C ATOM 393 CG ASP A 28 54.977 9.281 -2.819 1.00 0.00 C ATOM 394 OD1 ASP A 28 55.165 10.517 -2.939 1.00 0.00 O ATOM 395 OD2 ASP A 28 54.523 8.584 -3.747 1.00 0.00 O ATOM 0 H ASP A 28 55.232 9.800 1.526 1.00 0.00 H new ATOM 0 HA ASP A 28 54.541 10.333 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.360 8.731 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.086 7.559 -1.540 1.00 0.00 H new ATOM 400 N ASP A 29 52.656 7.638 -0.090 1.00 0.00 N ATOM 401 CA ASP A 29 51.269 7.171 -0.199 1.00 0.00 C ATOM 402 C ASP A 29 50.409 7.758 0.925 1.00 0.00 C ATOM 403 O ASP A 29 50.855 8.652 1.648 1.00 0.00 O ATOM 404 CB ASP A 29 51.205 5.641 -0.185 1.00 0.00 C ATOM 405 CG ASP A 29 50.378 5.100 -1.327 1.00 0.00 C ATOM 406 OD1 ASP A 29 49.146 5.367 -1.363 1.00 0.00 O ATOM 407 OD2 ASP A 29 50.959 4.416 -2.197 1.00 0.00 O ATOM 0 H ASP A 29 53.305 6.951 0.293 1.00 0.00 H new ATOM 0 HA ASP A 29 50.870 7.518 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 29 52.215 5.235 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.781 5.304 0.761 1.00 0.00 H new ATOM 412 N CYS A 30 49.172 7.284 1.078 1.00 0.00 N ATOM 413 CA CYS A 30 48.290 7.871 2.085 1.00 0.00 C ATOM 414 C CYS A 30 47.285 6.893 2.699 1.00 0.00 C ATOM 415 O CYS A 30 46.073 7.053 2.560 1.00 0.00 O ATOM 416 CB CYS A 30 47.557 9.074 1.504 1.00 0.00 C ATOM 417 SG CYS A 30 46.872 8.815 -0.179 1.00 0.00 S ATOM 0 H CYS A 30 48.768 6.520 0.536 1.00 0.00 H new ATOM 0 HA CYS A 30 48.943 8.178 2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 30 46.742 9.345 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 30 48.242 9.921 1.476 1.00 0.00 H new ATOM 422 N GLY A 31 47.783 5.899 3.403 1.00 0.00 N ATOM 423 CA GLY A 31 46.915 5.068 4.210 1.00 0.00 C ATOM 424 C GLY A 31 46.391 5.831 5.411 1.00 0.00 C ATOM 425 O GLY A 31 45.291 5.579 5.901 1.00 0.00 O ATOM 0 H GLY A 31 48.771 5.648 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.079 4.716 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 31 47.460 4.186 4.545 1.00 0.00 H new ATOM 429 N ASP A 32 47.201 6.774 5.863 1.00 0.00 N ATOM 430 CA ASP A 32 46.866 7.652 6.983 1.00 0.00 C ATOM 431 C ASP A 32 47.393 9.059 6.697 1.00 0.00 C ATOM 432 O ASP A 32 46.744 10.065 6.981 1.00 0.00 O ATOM 433 CB ASP A 32 47.457 7.105 8.303 1.00 0.00 C ATOM 434 CG ASP A 32 48.919 6.665 8.199 1.00 0.00 C ATOM 435 OD1 ASP A 32 49.723 7.366 7.556 1.00 0.00 O ATOM 436 OD2 ASP A 32 49.272 5.608 8.764 1.00 0.00 O ATOM 0 H ASP A 32 48.121 6.957 5.461 1.00 0.00 H new ATOM 0 HA ASP A 32 45.783 7.691 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.374 7.874 9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.857 6.258 8.634 1.00 0.00 H new ATOM 441 N ARG A 33 48.577 9.082 6.114 1.00 0.00 N ATOM 442 CA ARG A 33 49.297 10.280 5.730 1.00 0.00 C ATOM 443 C ARG A 33 50.575 9.828 5.047 1.00 0.00 C ATOM 444 O ARG A 33 51.026 10.415 4.067 1.00 0.00 O ATOM 445 CB ARG A 33 49.651 11.129 6.953 1.00 0.00 C ATOM 446 CG ARG A 33 50.531 12.322 6.616 1.00 0.00 C ATOM 447 CD ARG A 33 51.188 12.914 7.853 1.00 0.00 C ATOM 448 NE ARG A 33 50.210 13.397 8.828 1.00 0.00 N ATOM 449 CZ ARG A 33 50.512 14.216 9.838 1.00 0.00 C ATOM 450 NH1 ARG A 33 51.758 14.643 9.997 1.00 0.00 N ATOM 451 NH2 ARG A 33 49.569 14.608 10.689 1.00 0.00 N ATOM 0 H ARG A 33 49.085 8.228 5.885 1.00 0.00 H new ATOM 0 HA ARG A 33 48.679 10.890 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 33 48.732 11.483 7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 33 50.161 10.504 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 33 51.301 12.016 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 33 49.931 13.087 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 33 51.821 12.160 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 33 51.838 13.737 7.557 1.00 0.00 H new ATOM 0 HE ARG A 33 49.242 13.090 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 33 52.486 14.346 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 33 51.988 15.269 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 33 48.609 14.283 10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 33 49.805 15.234 11.459 1.00 0.00 H new ATOM 465 N SER A 34 51.130 8.758 5.602 1.00 0.00 N ATOM 466 CA SER A 34 52.335 8.130 5.081 1.00 0.00 C ATOM 467 C SER A 34 52.226 6.604 5.192 1.00 0.00 C ATOM 468 O SER A 34 53.207 5.894 5.007 1.00 0.00 O ATOM 469 CB SER A 34 53.563 8.616 5.860 1.00 0.00 C ATOM 470 OG SER A 34 53.644 10.032 5.876 1.00 0.00 O ATOM 0 H SER A 34 50.753 8.299 6.432 1.00 0.00 H new ATOM 0 HA SER A 34 52.445 8.405 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 34 53.517 8.242 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 34 54.466 8.204 5.410 1.00 0.00 H new ATOM 0 HG SER A 34 54.474 10.317 5.440 1.00 0.00 H new ATOM 476 N ASP A 35 51.024 6.131 5.556 1.00 0.00 N ATOM 477 CA ASP A 35 50.687 4.690 5.646 1.00 0.00 C ATOM 478 C ASP A 35 51.298 4.017 6.863 1.00 0.00 C ATOM 479 O ASP A 35 50.779 3.015 7.362 1.00 0.00 O ATOM 480 CB ASP A 35 51.130 3.908 4.403 1.00 0.00 C ATOM 481 CG ASP A 35 50.453 4.361 3.140 1.00 0.00 C ATOM 482 OD1 ASP A 35 50.283 5.579 2.967 1.00 0.00 O ATOM 483 OD2 ASP A 35 50.060 3.499 2.339 1.00 0.00 O ATOM 0 H ASP A 35 50.244 6.741 5.801 1.00 0.00 H new ATOM 0 HA ASP A 35 49.600 4.667 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 35 52.209 4.009 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 35 50.924 2.849 4.557 1.00 0.00 H new ATOM 488 N GLU A 36 52.359 4.589 7.370 1.00 0.00 N ATOM 489 CA GLU A 36 53.222 3.893 8.299 1.00 0.00 C ATOM 490 C GLU A 36 53.052 4.395 9.719 1.00 0.00 C ATOM 491 O GLU A 36 53.990 4.403 10.514 1.00 0.00 O ATOM 492 CB GLU A 36 54.658 4.041 7.822 1.00 0.00 C ATOM 493 CG GLU A 36 54.896 3.315 6.509 1.00 0.00 C ATOM 494 CD GLU A 36 55.913 4.000 5.634 1.00 0.00 C ATOM 495 OE1 GLU A 36 57.014 4.307 6.132 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.619 4.227 4.445 1.00 0.00 O ATOM 0 H GLU A 36 52.651 5.542 7.155 1.00 0.00 H new ATOM 0 HA GLU A 36 52.949 2.838 8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 36 54.893 5.098 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 36 55.335 3.650 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 55.230 2.299 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 36 53.953 3.236 5.968 1.00 0.00 H new ATOM 503 N SER A 37 51.835 4.793 10.038 1.00 0.00 N ATOM 504 CA SER A 37 51.468 5.044 11.417 1.00 0.00 C ATOM 505 C SER A 37 50.178 4.303 11.757 1.00 0.00 C ATOM 506 O SER A 37 49.736 4.297 12.906 1.00 0.00 O ATOM 507 CB SER A 37 51.330 6.548 11.682 1.00 0.00 C ATOM 508 OG SER A 37 50.512 7.177 10.708 1.00 0.00 O ATOM 0 H SER A 37 51.087 4.949 9.363 1.00 0.00 H new ATOM 0 HA SER A 37 52.261 4.669 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 37 50.904 6.706 12.673 1.00 0.00 H new ATOM 0 HB3 SER A 37 52.317 7.010 11.682 1.00 0.00 H new ATOM 0 HG SER A 37 50.444 8.134 10.907 1.00 0.00 H new ATOM 514 N ALA A 38 49.582 3.666 10.748 1.00 0.00 N ATOM 515 CA ALA A 38 48.344 2.926 10.951 1.00 0.00 C ATOM 516 C ALA A 38 48.424 1.496 10.439 1.00 0.00 C ATOM 517 O ALA A 38 47.698 0.627 10.921 1.00 0.00 O ATOM 518 CB ALA A 38 47.167 3.657 10.317 1.00 0.00 C ATOM 0 H ALA A 38 49.936 3.649 9.791 1.00 0.00 H new ATOM 0 HA ALA A 38 48.187 2.868 12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 38 46.253 3.086 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.065 4.643 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.340 3.765 9.246 1.00 0.00 H new ATOM 524 N SER A 39 49.290 1.234 9.474 1.00 0.00 N ATOM 525 CA SER A 39 49.446 -0.129 8.991 1.00 0.00 C ATOM 526 C SER A 39 50.779 -0.702 9.456 1.00 0.00 C ATOM 527 O SER A 39 50.831 -1.767 10.069 1.00 0.00 O ATOM 528 CB SER A 39 49.321 -0.192 7.463 1.00 0.00 C ATOM 529 OG SER A 39 50.361 0.523 6.819 1.00 0.00 O ATOM 0 H SER A 39 49.883 1.928 9.018 1.00 0.00 H new ATOM 0 HA SER A 39 48.644 -0.737 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 39 49.341 -1.233 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 39 48.357 0.217 7.160 1.00 0.00 H new ATOM 0 HG SER A 39 50.170 1.483 6.857 1.00 0.00 H new ATOM 535 N CYS A 40 51.856 0.008 9.165 1.00 0.00 N ATOM 536 CA CYS A 40 53.179 -0.450 9.555 1.00 0.00 C ATOM 537 C CYS A 40 53.575 0.180 10.883 1.00 0.00 C ATOM 538 O CYS A 40 53.405 1.379 11.077 1.00 0.00 O ATOM 539 CB CYS A 40 54.217 -0.145 8.470 1.00 0.00 C ATOM 540 SG CYS A 40 55.745 -1.140 8.619 1.00 0.00 S ATOM 0 H CYS A 40 51.842 0.897 8.664 1.00 0.00 H new ATOM 0 HA CYS A 40 53.147 -1.533 9.676 1.00 0.00 H new ATOM 0 HB2 CYS A 40 53.771 -0.324 7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 40 54.476 0.913 8.514 1.00 0.00 H new ATOM 545 N ALA A 41 54.079 -0.630 11.799 1.00 0.00 N ATOM 546 CA ALA A 41 54.533 -0.123 13.086 1.00 0.00 C ATOM 547 C ALA A 41 56.039 0.090 13.075 1.00 0.00 C ATOM 548 O ALA A 41 56.605 0.617 14.029 1.00 0.00 O ATOM 549 CB ALA A 41 54.142 -1.081 14.198 1.00 0.00 C ATOM 0 H ALA A 41 54.184 -1.637 11.678 1.00 0.00 H new ATOM 0 HA ALA A 41 54.051 0.838 13.268 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.488 -0.689 15.154 1.00 0.00 H new ATOM 0 HB2 ALA A 41 53.058 -1.189 14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 41 54.599 -2.054 14.018 1.00 0.00 H new ATOM 555 N TYR A 42 56.670 -0.334 11.977 1.00 0.00 N ATOM 556 CA TYR A 42 58.129 -0.275 11.819 1.00 0.00 C ATOM 557 C TYR A 42 58.884 -0.819 13.039 1.00 0.00 C ATOM 558 O TYR A 42 59.721 -0.127 13.611 1.00 0.00 O ATOM 559 CB TYR A 42 58.584 1.156 11.506 1.00 0.00 C ATOM 560 CG TYR A 42 58.611 1.453 10.027 1.00 0.00 C ATOM 561 CD1 TYR A 42 57.434 1.595 9.306 1.00 0.00 C ATOM 562 CD2 TYR A 42 59.818 1.579 9.349 1.00 0.00 C ATOM 563 CE1 TYR A 42 57.460 1.852 7.947 1.00 0.00 C ATOM 564 CE2 TYR A 42 59.848 1.837 7.997 1.00 0.00 C ATOM 565 CZ TYR A 42 58.671 1.978 7.303 1.00 0.00 C ATOM 566 OH TYR A 42 58.706 2.231 5.958 1.00 0.00 O ATOM 0 H TYR A 42 56.185 -0.728 11.171 1.00 0.00 H new ATOM 0 HA TYR A 42 58.375 -0.923 10.978 1.00 0.00 H new ATOM 0 HB2 TYR A 42 57.916 1.861 12.001 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.579 1.315 11.922 1.00 0.00 H new ATOM 0 HD1 TYR A 42 56.485 1.504 9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 42 60.746 1.473 9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 42 56.537 1.953 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 42 60.794 1.928 7.484 1.00 0.00 H new ATOM 0 HH TYR A 42 58.290 3.100 5.778 1.00 0.00 H new ATOM 576 N PRO A 43 58.617 -2.078 13.448 1.00 0.00 N ATOM 577 CA PRO A 43 59.313 -2.703 14.562 1.00 0.00 C ATOM 578 C PRO A 43 60.497 -3.553 14.099 1.00 0.00 C ATOM 579 O PRO A 43 61.290 -4.029 14.909 1.00 0.00 O ATOM 580 CB PRO A 43 58.215 -3.582 15.164 1.00 0.00 C ATOM 581 CG PRO A 43 57.348 -3.976 14.006 1.00 0.00 C ATOM 582 CD PRO A 43 57.606 -2.989 12.887 1.00 0.00 C ATOM 0 HA PRO A 43 59.747 -1.983 15.256 1.00 0.00 H new ATOM 0 HB2 PRO A 43 58.637 -4.458 15.656 1.00 0.00 H new ATOM 0 HB3 PRO A 43 57.644 -3.038 15.917 1.00 0.00 H new ATOM 0 HG2 PRO A 43 57.579 -4.991 13.683 1.00 0.00 H new ATOM 0 HG3 PRO A 43 56.296 -3.964 14.293 1.00 0.00 H new ATOM 0 HD2 PRO A 43 57.972 -3.488 11.990 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.698 -2.455 12.607 1.00 0.00 H new ATOM 590 N THR A 44 60.607 -3.725 12.788 1.00 0.00 N ATOM 591 CA THR A 44 61.604 -4.607 12.198 1.00 0.00 C ATOM 592 C THR A 44 61.503 -4.538 10.673 1.00 0.00 C ATOM 593 O THR A 44 61.745 -5.523 9.972 1.00 0.00 O ATOM 594 CB THR A 44 61.388 -6.068 12.679 1.00 0.00 C ATOM 595 OG1 THR A 44 62.389 -6.931 12.127 1.00 0.00 O ATOM 596 CG2 THR A 44 60.001 -6.579 12.293 1.00 0.00 C ATOM 0 H THR A 44 60.009 -3.258 12.106 1.00 0.00 H new ATOM 0 HA THR A 44 62.596 -4.284 12.512 1.00 0.00 H new ATOM 0 HB THR A 44 61.468 -6.072 13.766 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.516 -6.720 11.178 1.00 0.00 H new ATOM 0 HG21 THR A 44 59.880 -7.604 12.643 1.00 0.00 H new ATOM 0 HG22 THR A 44 59.240 -5.947 12.751 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.892 -6.551 11.209 1.00 0.00 H new ATOM 604 N CYS A 45 61.181 -3.345 10.171 1.00 0.00 N ATOM 605 CA CYS A 45 60.832 -3.162 8.762 1.00 0.00 C ATOM 606 C CYS A 45 59.572 -3.969 8.450 1.00 0.00 C ATOM 607 O CYS A 45 58.764 -4.218 9.351 1.00 0.00 O ATOM 608 CB CYS A 45 61.996 -3.558 7.844 1.00 0.00 C ATOM 609 SG CYS A 45 63.498 -2.570 8.098 1.00 0.00 S ATOM 0 H CYS A 45 61.155 -2.487 10.723 1.00 0.00 H new ATOM 0 HA CYS A 45 60.632 -2.107 8.576 1.00 0.00 H new ATOM 0 HB2 CYS A 45 62.232 -4.610 8.006 1.00 0.00 H new ATOM 0 HB3 CYS A 45 61.678 -3.459 6.806 1.00 0.00 H new ATOM 614 N PHE A 46 59.376 -4.365 7.201 1.00 0.00 N ATOM 615 CA PHE A 46 58.164 -5.083 6.842 1.00 0.00 C ATOM 616 C PHE A 46 58.465 -6.250 5.908 1.00 0.00 C ATOM 617 O PHE A 46 59.095 -6.079 4.867 1.00 0.00 O ATOM 618 CB PHE A 46 57.170 -4.125 6.198 1.00 0.00 C ATOM 619 CG PHE A 46 55.748 -4.402 6.579 1.00 0.00 C ATOM 620 CD1 PHE A 46 55.388 -4.528 7.911 1.00 0.00 C ATOM 621 CD2 PHE A 46 54.776 -4.534 5.611 1.00 0.00 C ATOM 622 CE1 PHE A 46 54.079 -4.782 8.268 1.00 0.00 C ATOM 623 CE2 PHE A 46 53.467 -4.786 5.958 1.00 0.00 C ATOM 624 CZ PHE A 46 53.114 -4.912 7.289 1.00 0.00 C ATOM 0 H PHE A 46 60.027 -4.205 6.433 1.00 0.00 H new ATOM 0 HA PHE A 46 57.727 -5.495 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 46 57.423 -3.104 6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 46 57.267 -4.186 5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 46 56.140 -4.426 8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 46 55.044 -4.439 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 46 53.811 -4.879 9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 46 52.715 -4.885 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 46 52.088 -5.111 7.562 1.00 0.00 H new ATOM 634 N PRO A 47 57.991 -7.453 6.268 1.00 0.00 N ATOM 635 CA PRO A 47 58.286 -8.687 5.541 1.00 0.00 C ATOM 636 C PRO A 47 57.359 -8.946 4.348 1.00 0.00 C ATOM 637 O PRO A 47 57.271 -10.075 3.874 1.00 0.00 O ATOM 638 CB PRO A 47 58.089 -9.783 6.602 1.00 0.00 C ATOM 639 CG PRO A 47 57.615 -9.092 7.847 1.00 0.00 C ATOM 640 CD PRO A 47 57.148 -7.727 7.431 1.00 0.00 C ATOM 0 HA PRO A 47 59.284 -8.647 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 47 57.360 -10.521 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 47 59.021 -10.317 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 47 56.806 -9.652 8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 47 58.419 -9.020 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 47 56.088 -7.719 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 47 57.291 -6.989 8.221 1.00 0.00 H new ATOM 648 N LEU A 48 56.665 -7.917 3.866 1.00 0.00 N ATOM 649 CA LEU A 48 55.834 -8.070 2.670 1.00 0.00 C ATOM 650 C LEU A 48 56.708 -8.196 1.437 1.00 0.00 C ATOM 651 O LEU A 48 56.590 -9.144 0.664 1.00 0.00 O ATOM 652 CB LEU A 48 54.875 -6.883 2.477 1.00 0.00 C ATOM 653 CG LEU A 48 53.639 -6.883 3.368 1.00 0.00 C ATOM 654 CD1 LEU A 48 52.723 -5.738 2.975 1.00 0.00 C ATOM 655 CD2 LEU A 48 52.903 -8.212 3.275 1.00 0.00 C ATOM 0 H LEU A 48 56.659 -6.983 4.275 1.00 0.00 H new ATOM 0 HA LEU A 48 55.241 -8.974 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 48 55.428 -5.960 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 48 54.551 -6.867 1.436 1.00 0.00 H new ATOM 0 HG LEU A 48 53.954 -6.747 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 48 51.841 -5.742 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 48 53.252 -4.792 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 48 52.418 -5.857 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 48 52.025 -8.187 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 48 52.592 -8.384 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 48 53.565 -9.017 3.594 1.00 0.00 H new ATOM 667 N THR A 49 57.597 -7.231 1.279 1.00 0.00 N ATOM 668 CA THR A 49 58.393 -7.102 0.077 1.00 0.00 C ATOM 669 C THR A 49 59.284 -5.867 0.211 1.00 0.00 C ATOM 670 O THR A 49 58.886 -4.744 -0.098 1.00 0.00 O ATOM 671 CB THR A 49 57.479 -7.010 -1.171 1.00 0.00 C ATOM 672 OG1 THR A 49 58.241 -6.724 -2.344 1.00 0.00 O ATOM 673 CG2 THR A 49 56.395 -5.960 -0.972 1.00 0.00 C ATOM 0 H THR A 49 57.785 -6.516 1.982 1.00 0.00 H new ATOM 0 HA THR A 49 59.023 -7.982 -0.051 1.00 0.00 H new ATOM 0 HB THR A 49 56.999 -7.979 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 49 57.643 -6.672 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.766 -5.913 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 49 55.785 -6.226 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 49 56.857 -4.987 -0.803 1.00 0.00 H new ATOM 681 N GLN A 50 60.483 -6.073 0.718 1.00 0.00 N ATOM 682 CA GLN A 50 61.316 -4.966 1.130 1.00 0.00 C ATOM 683 C GLN A 50 62.791 -5.308 1.023 1.00 0.00 C ATOM 684 O GLN A 50 63.176 -6.477 0.979 1.00 0.00 O ATOM 685 CB GLN A 50 60.999 -4.598 2.579 1.00 0.00 C ATOM 686 CG GLN A 50 60.407 -3.215 2.762 1.00 0.00 C ATOM 687 CD GLN A 50 60.258 -2.861 4.223 1.00 0.00 C ATOM 688 OE1 GLN A 50 61.006 -3.346 5.067 1.00 0.00 O ATOM 689 NE2 GLN A 50 59.303 -2.010 4.536 1.00 0.00 N ATOM 0 H GLN A 50 60.899 -6.994 0.853 1.00 0.00 H new ATOM 0 HA GLN A 50 61.106 -4.127 0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.303 -5.333 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 50 61.914 -4.668 3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 50 61.044 -2.479 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 50 59.433 -3.168 2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 50 58.701 -1.628 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 50 59.165 -1.733 5.508 1.00 0.00 H new ATOM 698 N PHE A 51 63.595 -4.269 0.977 1.00 0.00 N ATOM 699 CA PHE A 51 65.035 -4.384 1.068 1.00 0.00 C ATOM 700 C PHE A 51 65.480 -3.500 2.221 1.00 0.00 C ATOM 701 O PHE A 51 64.927 -2.424 2.422 1.00 0.00 O ATOM 702 CB PHE A 51 65.688 -3.941 -0.246 1.00 0.00 C ATOM 703 CG PHE A 51 67.174 -4.162 -0.301 1.00 0.00 C ATOM 704 CD1 PHE A 51 67.689 -5.401 -0.638 1.00 0.00 C ATOM 705 CD2 PHE A 51 68.053 -3.128 -0.018 1.00 0.00 C ATOM 706 CE1 PHE A 51 69.052 -5.606 -0.692 1.00 0.00 C ATOM 707 CE2 PHE A 51 69.415 -3.328 -0.069 1.00 0.00 C ATOM 708 CZ PHE A 51 69.917 -4.569 -0.405 1.00 0.00 C ATOM 0 H PHE A 51 63.264 -3.310 0.874 1.00 0.00 H new ATOM 0 HA PHE A 51 65.335 -5.417 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 51 65.221 -4.480 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 51 65.484 -2.882 -0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 51 67.017 -6.216 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 51 67.666 -2.155 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 51 69.442 -6.577 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 51 70.089 -2.514 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 51 70.984 -4.729 -0.443 1.00 0.00 H new ATOM 718 N THR A 52 66.444 -3.935 2.991 1.00 0.00 N ATOM 719 CA THR A 52 66.830 -3.184 4.164 1.00 0.00 C ATOM 720 C THR A 52 68.168 -2.501 3.952 1.00 0.00 C ATOM 721 O THR A 52 69.208 -3.160 3.909 1.00 0.00 O ATOM 722 CB THR A 52 66.911 -4.100 5.399 1.00 0.00 C ATOM 723 OG1 THR A 52 65.723 -4.900 5.483 1.00 0.00 O ATOM 724 CG2 THR A 52 67.067 -3.284 6.674 1.00 0.00 C ATOM 0 H THR A 52 66.972 -4.793 2.833 1.00 0.00 H new ATOM 0 HA THR A 52 66.067 -2.425 4.335 1.00 0.00 H new ATOM 0 HB THR A 52 67.784 -4.744 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 52 65.777 -5.484 6.268 1.00 0.00 H new ATOM 0 HG21 THR A 52 67.122 -3.955 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 52 67.981 -2.692 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 52 66.211 -2.619 6.788 1.00 0.00 H new ATOM 732 N CYS A 53 68.132 -1.181 3.767 1.00 0.00 N ATOM 733 CA CYS A 53 69.363 -0.398 3.751 1.00 0.00 C ATOM 734 C CYS A 53 70.167 -0.647 5.024 1.00 0.00 C ATOM 735 O CYS A 53 69.595 -0.776 6.110 1.00 0.00 O ATOM 736 CB CYS A 53 69.060 1.084 3.593 1.00 0.00 C ATOM 737 SG CYS A 53 68.438 1.531 1.943 1.00 0.00 S ATOM 0 H CYS A 53 67.278 -0.641 3.628 1.00 0.00 H new ATOM 0 HA CYS A 53 69.959 -0.715 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 53 68.323 1.377 4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 53 69.966 1.655 3.797 1.00 0.00 H new ATOM 742 N ASN A 54 71.491 -0.706 4.884 1.00 0.00 N ATOM 743 CA ASN A 54 72.376 -1.102 5.986 1.00 0.00 C ATOM 744 C ASN A 54 72.267 -0.159 7.182 1.00 0.00 C ATOM 745 O ASN A 54 72.509 -0.569 8.319 1.00 0.00 O ATOM 746 CB ASN A 54 73.833 -1.187 5.520 1.00 0.00 C ATOM 747 CG ASN A 54 74.147 -2.478 4.777 1.00 0.00 C ATOM 748 OD1 ASN A 54 75.259 -3.000 4.867 1.00 0.00 O ATOM 749 ND2 ASN A 54 73.182 -3.001 4.030 1.00 0.00 N ATOM 0 H ASN A 54 71.979 -0.484 4.016 1.00 0.00 H new ATOM 0 HA ASN A 54 72.047 -2.090 6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 54 74.051 -0.339 4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 54 74.491 -1.103 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 54 73.350 -3.861 3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 54 72.272 -2.543 3.978 1.00 0.00 H new ATOM 756 N ASN A 55 71.903 1.095 6.924 1.00 0.00 N ATOM 757 CA ASN A 55 71.688 2.078 7.985 1.00 0.00 C ATOM 758 C ASN A 55 70.556 1.649 8.913 1.00 0.00 C ATOM 759 O ASN A 55 70.459 2.110 10.048 1.00 0.00 O ATOM 760 CB ASN A 55 71.363 3.456 7.394 1.00 0.00 C ATOM 761 CG ASN A 55 72.478 4.465 7.607 1.00 0.00 C ATOM 762 OD1 ASN A 55 72.507 5.170 8.615 1.00 0.00 O ATOM 763 ND2 ASN A 55 73.394 4.554 6.655 1.00 0.00 N ATOM 0 H ASN A 55 71.750 1.457 5.983 1.00 0.00 H new ATOM 0 HA ASN A 55 72.612 2.141 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 55 71.172 3.352 6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 55 70.446 3.833 7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 55 74.158 5.225 6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 55 73.336 3.952 5.834 1.00 0.00 H new ATOM 770 N GLY A 56 69.704 0.760 8.427 1.00 0.00 N ATOM 771 CA GLY A 56 68.576 0.305 9.208 1.00 0.00 C ATOM 772 C GLY A 56 67.269 0.825 8.665 1.00 0.00 C ATOM 773 O GLY A 56 66.218 0.620 9.262 1.00 0.00 O ATOM 0 H GLY A 56 69.776 0.344 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.557 -0.785 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.695 0.631 10.241 1.00 0.00 H new ATOM 777 N ARG A 57 67.335 1.508 7.530 1.00 0.00 N ATOM 778 CA ARG A 57 66.138 2.038 6.901 1.00 0.00 C ATOM 779 C ARG A 57 65.608 1.005 5.918 1.00 0.00 C ATOM 780 O ARG A 57 66.382 0.290 5.288 1.00 0.00 O ATOM 781 CB ARG A 57 66.437 3.384 6.223 1.00 0.00 C ATOM 782 CG ARG A 57 66.786 3.305 4.744 1.00 0.00 C ATOM 783 CD ARG A 57 67.810 4.366 4.377 1.00 0.00 C ATOM 784 NE ARG A 57 67.962 4.541 2.933 1.00 0.00 N ATOM 785 CZ ARG A 57 67.926 5.727 2.324 1.00 0.00 C ATOM 786 NH1 ARG A 57 67.677 6.829 3.028 1.00 0.00 N ATOM 787 NH2 ARG A 57 68.142 5.817 1.017 1.00 0.00 N ATOM 0 H ARG A 57 68.202 1.706 7.030 1.00 0.00 H new ATOM 0 HA ARG A 57 65.370 2.230 7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 57 65.568 4.032 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 57 67.264 3.861 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 57 67.180 2.316 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 57 65.885 3.439 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 57 67.516 5.316 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 57 68.774 4.096 4.808 1.00 0.00 H new ATOM 0 HE ARG A 57 68.103 3.709 2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 57 67.514 6.766 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 57 67.649 7.736 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 57 68.337 4.976 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 57 68.113 6.727 0.557 1.00 0.00 H new ATOM 801 N CYS A 58 64.303 0.922 5.783 1.00 0.00 N ATOM 802 CA CYS A 58 63.704 -0.140 5.013 1.00 0.00 C ATOM 803 C CYS A 58 63.174 0.410 3.707 1.00 0.00 C ATOM 804 O CYS A 58 62.323 1.294 3.703 1.00 0.00 O ATOM 805 CB CYS A 58 62.579 -0.761 5.829 1.00 0.00 C ATOM 806 SG CYS A 58 62.881 -0.697 7.630 1.00 0.00 S ATOM 0 H CYS A 58 63.639 1.577 6.196 1.00 0.00 H new ATOM 0 HA CYS A 58 64.448 -0.904 4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.647 -0.243 5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 58 62.448 -1.800 5.525 1.00 0.00 H new ATOM 811 N ILE A 59 63.690 -0.095 2.600 1.00 0.00 N ATOM 812 CA ILE A 59 63.274 0.397 1.308 1.00 0.00 C ATOM 813 C ILE A 59 62.412 -0.631 0.589 1.00 0.00 C ATOM 814 O ILE A 59 62.438 -1.815 0.921 1.00 0.00 O ATOM 815 CB ILE A 59 64.450 0.787 0.391 1.00 0.00 C ATOM 816 CG1 ILE A 59 65.338 -0.423 0.105 1.00 0.00 C ATOM 817 CG2 ILE A 59 65.250 1.926 1.010 1.00 0.00 C ATOM 818 CD1 ILE A 59 66.193 -0.262 -1.127 1.00 0.00 C ATOM 0 H ILE A 59 64.390 -0.837 2.574 1.00 0.00 H new ATOM 0 HA ILE A 59 62.700 1.301 1.512 1.00 0.00 H new ATOM 0 HB ILE A 59 64.048 1.135 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.983 -0.602 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.710 -1.306 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 59 66.077 2.190 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 59 64.603 2.793 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 59 65.643 1.611 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.798 -1.158 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 59 65.553 -0.113 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 59 66.847 0.602 -1.006 1.00 0.00 H new ATOM 830 N ASN A 60 61.665 -0.175 -0.398 1.00 0.00 N ATOM 831 CA ASN A 60 60.785 -1.045 -1.169 1.00 0.00 C ATOM 832 C ASN A 60 61.610 -1.930 -2.103 1.00 0.00 C ATOM 833 O ASN A 60 62.574 -1.466 -2.719 1.00 0.00 O ATOM 834 CB ASN A 60 59.796 -0.180 -1.962 1.00 0.00 C ATOM 835 CG ASN A 60 58.638 -0.952 -2.575 1.00 0.00 C ATOM 836 OD1 ASN A 60 58.780 -2.102 -2.996 1.00 0.00 O ATOM 837 ND2 ASN A 60 57.475 -0.316 -2.624 1.00 0.00 N ATOM 0 H ASN A 60 61.648 0.802 -0.690 1.00 0.00 H new ATOM 0 HA ASN A 60 60.226 -1.697 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 60 59.395 0.590 -1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.337 0.332 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 60 56.657 -0.779 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 60 57.399 0.636 -2.265 1.00 0.00 H new ATOM 844 N ILE A 61 61.235 -3.202 -2.207 1.00 0.00 N ATOM 845 CA ILE A 61 61.981 -4.161 -3.022 1.00 0.00 C ATOM 846 C ILE A 61 61.852 -3.834 -4.514 1.00 0.00 C ATOM 847 O ILE A 61 62.649 -4.283 -5.342 1.00 0.00 O ATOM 848 CB ILE A 61 61.514 -5.616 -2.740 1.00 0.00 C ATOM 849 CG1 ILE A 61 62.703 -6.496 -2.337 1.00 0.00 C ATOM 850 CG2 ILE A 61 60.784 -6.227 -3.933 1.00 0.00 C ATOM 851 CD1 ILE A 61 63.771 -6.633 -3.404 1.00 0.00 C ATOM 0 H ILE A 61 60.419 -3.594 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 61 63.032 -4.082 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 61 60.807 -5.571 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.157 -6.082 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.334 -7.489 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 61 60.477 -7.244 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.904 -5.628 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.450 -6.246 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.574 -7.271 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.336 -7.077 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.172 -5.649 -3.646 1.00 0.00 H new ATOM 863 N ASN A 62 60.868 -3.013 -4.842 1.00 0.00 N ATOM 864 CA ASN A 62 60.553 -2.692 -6.231 1.00 0.00 C ATOM 865 C ASN A 62 61.477 -1.596 -6.771 1.00 0.00 C ATOM 866 O ASN A 62 61.200 -0.984 -7.796 1.00 0.00 O ATOM 867 CB ASN A 62 59.082 -2.258 -6.337 1.00 0.00 C ATOM 868 CG ASN A 62 58.571 -2.198 -7.771 1.00 0.00 C ATOM 869 OD1 ASN A 62 57.716 -1.383 -8.099 1.00 0.00 O ATOM 870 ND2 ASN A 62 59.080 -3.070 -8.632 1.00 0.00 N ATOM 0 H ASN A 62 60.266 -2.551 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 62 60.711 -3.583 -6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 62 58.464 -2.952 -5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 62 58.966 -1.277 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 62 58.761 -3.076 -9.601 1.00 0.00 H new ATOM 0 HD22 ASN A 62 59.790 -3.734 -8.325 1.00 0.00 H new ATOM 877 N TRP A 63 62.598 -1.372 -6.094 1.00 0.00 N ATOM 878 CA TRP A 63 63.538 -0.335 -6.511 1.00 0.00 C ATOM 879 C TRP A 63 64.797 -0.967 -7.117 1.00 0.00 C ATOM 880 O TRP A 63 65.847 -0.329 -7.247 1.00 0.00 O ATOM 881 CB TRP A 63 63.904 0.579 -5.331 1.00 0.00 C ATOM 882 CG TRP A 63 62.742 1.319 -4.718 1.00 0.00 C ATOM 883 CD1 TRP A 63 61.413 1.134 -4.969 1.00 0.00 C ATOM 884 CD2 TRP A 63 62.818 2.364 -3.740 1.00 0.00 C ATOM 885 NE1 TRP A 63 60.662 1.997 -4.209 1.00 0.00 N ATOM 886 CE2 TRP A 63 61.502 2.760 -3.446 1.00 0.00 C ATOM 887 CE3 TRP A 63 63.873 2.998 -3.083 1.00 0.00 C ATOM 888 CZ2 TRP A 63 61.214 3.765 -2.526 1.00 0.00 C ATOM 889 CZ3 TRP A 63 63.590 3.994 -2.168 1.00 0.00 C ATOM 890 CH2 TRP A 63 62.269 4.369 -1.896 1.00 0.00 C ATOM 0 H TRP A 63 62.878 -1.889 -5.261 1.00 0.00 H new ATOM 0 HA TRP A 63 63.056 0.276 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 63 64.381 -0.023 -4.558 1.00 0.00 H new ATOM 0 HB3 TRP A 63 64.642 1.307 -5.669 1.00 0.00 H new ATOM 0 HD1 TRP A 63 61.010 0.413 -5.665 1.00 0.00 H new ATOM 0 HE1 TRP A 63 59.644 2.059 -4.213 1.00 0.00 H new ATOM 0 HE3 TRP A 63 64.895 2.715 -3.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 60.196 4.057 -2.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 64.400 4.491 -1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 63 62.078 5.150 -1.175 1.00 0.00 H new ATOM 901 N ARG A 64 64.694 -2.244 -7.471 1.00 0.00 N ATOM 902 CA ARG A 64 65.750 -2.896 -8.241 1.00 0.00 C ATOM 903 C ARG A 64 65.755 -2.311 -9.652 1.00 0.00 C ATOM 904 O ARG A 64 65.053 -2.809 -10.529 1.00 0.00 O ATOM 905 CB ARG A 64 65.537 -4.418 -8.339 1.00 0.00 C ATOM 906 CG ARG A 64 65.071 -5.098 -7.060 1.00 0.00 C ATOM 907 CD ARG A 64 66.186 -5.244 -6.038 1.00 0.00 C ATOM 908 NE ARG A 64 67.276 -6.107 -6.498 1.00 0.00 N ATOM 909 CZ ARG A 64 68.342 -6.418 -5.750 1.00 0.00 C ATOM 910 NH1 ARG A 64 68.414 -6.014 -4.486 1.00 0.00 N ATOM 911 NH2 ARG A 64 69.335 -7.139 -6.262 1.00 0.00 N ATOM 0 H ARG A 64 63.901 -2.843 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 64 66.698 -2.720 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 64 64.805 -4.615 -9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 64 66.473 -4.879 -8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 64 64.255 -4.522 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 64 64.672 -6.083 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 64 66.586 -4.258 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 64 65.774 -5.650 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 64 67.220 -6.493 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 64 67.655 -5.465 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 64 69.228 -6.253 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 64 69.287 -7.458 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 64 70.145 -7.373 -5.687 1.00 0.00 H new ATOM 925 N CYS A 65 66.507 -1.241 -9.860 1.00 0.00 N ATOM 926 CA CYS A 65 66.478 -0.529 -11.132 1.00 0.00 C ATOM 927 C CYS A 65 67.256 -1.264 -12.214 1.00 0.00 C ATOM 928 O CYS A 65 66.728 -1.564 -13.288 1.00 0.00 O ATOM 929 CB CYS A 65 67.032 0.889 -10.951 1.00 0.00 C ATOM 930 SG CYS A 65 68.694 0.944 -10.201 1.00 0.00 S ATOM 0 H CYS A 65 67.144 -0.846 -9.168 1.00 0.00 H new ATOM 0 HA CYS A 65 65.439 -0.475 -11.457 1.00 0.00 H new ATOM 0 HB2 CYS A 65 67.066 1.382 -11.923 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.344 1.460 -10.328 1.00 0.00 H new ATOM 0 HG CYS A 65 68.626 1.518 -9.037 1.00 0.00 H new ATOM 935 N ASP A 66 68.504 -1.541 -11.923 1.00 0.00 N ATOM 936 CA ASP A 66 69.408 -2.145 -12.890 1.00 0.00 C ATOM 937 C ASP A 66 69.818 -3.556 -12.468 1.00 0.00 C ATOM 938 O ASP A 66 69.668 -4.514 -13.231 1.00 0.00 O ATOM 939 CB ASP A 66 70.651 -1.262 -13.054 1.00 0.00 C ATOM 940 CG ASP A 66 71.484 -1.177 -11.785 1.00 0.00 C ATOM 941 OD1 ASP A 66 70.887 -1.141 -10.676 1.00 0.00 O ATOM 942 OD2 ASP A 66 72.727 -1.190 -11.894 1.00 0.00 O ATOM 0 H ASP A 66 68.927 -1.357 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 66 68.885 -2.223 -13.843 1.00 0.00 H new ATOM 0 HB2 ASP A 66 71.267 -1.656 -13.862 1.00 0.00 H new ATOM 0 HB3 ASP A 66 70.342 -0.259 -13.349 1.00 0.00 H new ATOM 947 N ASN A 67 70.332 -3.675 -11.255 1.00 0.00 N ATOM 948 CA ASN A 67 70.814 -4.933 -10.737 1.00 0.00 C ATOM 949 C ASN A 67 70.365 -5.113 -9.299 1.00 0.00 C ATOM 950 O ASN A 67 69.712 -6.107 -8.967 1.00 0.00 O ATOM 951 CB ASN A 67 72.344 -5.007 -10.830 1.00 0.00 C ATOM 952 CG ASN A 67 72.913 -6.271 -10.208 1.00 0.00 C ATOM 953 OD1 ASN A 67 73.005 -7.312 -10.855 1.00 0.00 O ATOM 954 ND2 ASN A 67 73.316 -6.181 -8.949 1.00 0.00 N ATOM 0 H ASN A 67 70.425 -2.895 -10.604 1.00 0.00 H new ATOM 0 HA ASN A 67 70.395 -5.738 -11.340 1.00 0.00 H new ATOM 0 HB2 ASN A 67 72.642 -4.957 -11.877 1.00 0.00 H new ATOM 0 HB3 ASN A 67 72.776 -4.138 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 67 73.720 -6.994 -8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 67 73.223 -5.299 -8.445 1.00 0.00 H new ATOM 961 N ASP A 68 70.689 -4.148 -8.444 1.00 0.00 N ATOM 962 CA ASP A 68 70.302 -4.245 -7.051 1.00 0.00 C ATOM 963 C ASP A 68 69.206 -3.232 -6.744 1.00 0.00 C ATOM 964 O ASP A 68 68.538 -2.770 -7.659 1.00 0.00 O ATOM 965 CB ASP A 68 71.496 -4.087 -6.109 1.00 0.00 C ATOM 966 CG ASP A 68 71.244 -4.812 -4.797 1.00 0.00 C ATOM 967 OD1 ASP A 68 71.445 -6.047 -4.752 1.00 0.00 O ATOM 968 OD2 ASP A 68 70.781 -4.167 -3.834 1.00 0.00 O ATOM 0 H ASP A 68 71.209 -3.306 -8.690 1.00 0.00 H new ATOM 0 HA ASP A 68 69.908 -5.247 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.394 -4.483 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.677 -3.029 -5.917 1.00 0.00 H new ATOM 973 N ASN A 69 69.016 -2.904 -5.474 1.00 0.00 N ATOM 974 CA ASN A 69 67.819 -2.194 -5.030 1.00 0.00 C ATOM 975 C ASN A 69 68.130 -0.769 -4.594 1.00 0.00 C ATOM 976 O ASN A 69 68.768 -0.579 -3.560 1.00 0.00 O ATOM 977 CB ASN A 69 67.215 -2.972 -3.862 1.00 0.00 C ATOM 978 CG ASN A 69 65.741 -2.704 -3.634 1.00 0.00 C ATOM 979 OD1 ASN A 69 64.991 -3.615 -3.311 1.00 0.00 O ATOM 980 ND2 ASN A 69 65.314 -1.467 -3.767 1.00 0.00 N ATOM 0 H ASN A 69 69.677 -3.118 -4.728 1.00 0.00 H new ATOM 0 HA ASN A 69 67.119 -2.128 -5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 69 67.356 -4.038 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 69 67.763 -2.724 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 69 64.333 -1.245 -3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 69 65.964 -0.729 -4.038 1.00 0.00 H new ATOM 987 N ASP A 70 67.626 0.206 -5.370 1.00 0.00 N ATOM 988 CA ASP A 70 67.808 1.645 -5.103 1.00 0.00 C ATOM 989 C ASP A 70 67.761 1.969 -3.616 1.00 0.00 C ATOM 990 O ASP A 70 66.694 2.044 -3.005 1.00 0.00 O ATOM 991 CB ASP A 70 66.737 2.482 -5.820 1.00 0.00 C ATOM 992 CG ASP A 70 67.109 2.871 -7.240 1.00 0.00 C ATOM 993 OD1 ASP A 70 67.888 3.836 -7.406 1.00 0.00 O ATOM 994 OD2 ASP A 70 66.597 2.239 -8.186 1.00 0.00 O ATOM 0 H ASP A 70 67.076 0.017 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 70 68.797 1.899 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 70 65.804 1.919 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 70 66.551 3.388 -5.243 1.00 0.00 H new ATOM 999 N CYS A 71 68.928 2.156 -3.046 1.00 0.00 N ATOM 1000 CA CYS A 71 69.062 2.441 -1.637 1.00 0.00 C ATOM 1001 C CYS A 71 70.052 3.572 -1.424 1.00 0.00 C ATOM 1002 O CYS A 71 69.740 4.560 -0.757 1.00 0.00 O ATOM 1003 CB CYS A 71 69.512 1.184 -0.892 1.00 0.00 C ATOM 1004 SG CYS A 71 70.112 1.496 0.799 1.00 0.00 S ATOM 0 H CYS A 71 69.815 2.115 -3.548 1.00 0.00 H new ATOM 0 HA CYS A 71 68.095 2.752 -1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 71 68.678 0.484 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 71 70.304 0.700 -1.463 1.00 0.00 H new ATOM 1009 N GLY A 72 71.245 3.426 -1.992 1.00 0.00 N ATOM 1010 CA GLY A 72 72.255 4.459 -1.872 1.00 0.00 C ATOM 1011 C GLY A 72 73.001 4.405 -0.552 1.00 0.00 C ATOM 1012 O GLY A 72 73.872 5.231 -0.289 1.00 0.00 O ATOM 0 H GLY A 72 71.529 2.610 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 72 72.968 4.360 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 72 71.783 5.436 -1.977 1.00 0.00 H new ATOM 1016 N ASP A 73 72.671 3.422 0.271 1.00 0.00 N ATOM 1017 CA ASP A 73 73.260 3.292 1.581 1.00 0.00 C ATOM 1018 C ASP A 73 74.013 1.968 1.697 1.00 0.00 C ATOM 1019 O ASP A 73 73.515 0.984 2.254 1.00 0.00 O ATOM 1020 CB ASP A 73 72.169 3.438 2.650 1.00 0.00 C ATOM 1021 CG ASP A 73 72.569 2.886 3.997 1.00 0.00 C ATOM 1022 OD1 ASP A 73 73.695 3.162 4.453 1.00 0.00 O ATOM 1023 OD2 ASP A 73 71.745 2.175 4.603 1.00 0.00 O ATOM 0 H ASP A 73 71.989 2.698 0.045 1.00 0.00 H new ATOM 0 HA ASP A 73 73.990 4.086 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 73 71.917 4.493 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 73 71.268 2.928 2.310 1.00 0.00 H new ATOM 1028 N ASN A 74 75.183 1.936 1.058 1.00 0.00 N ATOM 1029 CA ASN A 74 76.151 0.831 1.190 1.00 0.00 C ATOM 1030 C ASN A 74 75.609 -0.493 0.650 1.00 0.00 C ATOM 1031 O ASN A 74 76.298 -1.509 0.670 1.00 0.00 O ATOM 1032 CB ASN A 74 76.569 0.644 2.657 1.00 0.00 C ATOM 1033 CG ASN A 74 77.248 1.873 3.244 1.00 0.00 C ATOM 1034 OD1 ASN A 74 78.458 2.043 3.116 1.00 0.00 O ATOM 1035 ND2 ASN A 74 76.483 2.731 3.914 1.00 0.00 N ATOM 0 H ASN A 74 75.493 2.677 0.429 1.00 0.00 H new ATOM 0 HA ASN A 74 77.017 1.110 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.688 0.404 3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 74 77.245 -0.208 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 74 76.898 3.560 4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.481 2.560 4.002 1.00 0.00 H new ATOM 1042 N SER A 75 74.379 -0.473 0.176 1.00 0.00 N ATOM 1043 CA SER A 75 73.690 -1.686 -0.218 1.00 0.00 C ATOM 1044 C SER A 75 73.844 -2.004 -1.694 1.00 0.00 C ATOM 1045 O SER A 75 74.766 -2.702 -2.110 1.00 0.00 O ATOM 1046 CB SER A 75 72.213 -1.554 0.127 1.00 0.00 C ATOM 1047 OG SER A 75 72.036 -1.204 1.493 1.00 0.00 O ATOM 0 H SER A 75 73.832 0.379 0.054 1.00 0.00 H new ATOM 0 HA SER A 75 74.145 -2.511 0.330 1.00 0.00 H new ATOM 0 HB2 SER A 75 71.754 -0.796 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 71.703 -2.495 -0.080 1.00 0.00 H new ATOM 0 HG SER A 75 72.484 -0.351 1.673 1.00 0.00 H new ATOM 1053 N ASP A 76 72.909 -1.469 -2.449 1.00 0.00 N ATOM 1054 CA ASP A 76 72.779 -1.696 -3.876 1.00 0.00 C ATOM 1055 C ASP A 76 74.064 -1.377 -4.627 1.00 0.00 C ATOM 1056 O ASP A 76 74.722 -2.262 -5.182 1.00 0.00 O ATOM 1057 CB ASP A 76 71.625 -0.827 -4.415 1.00 0.00 C ATOM 1058 CG ASP A 76 71.673 0.643 -3.963 1.00 0.00 C ATOM 1059 OD1 ASP A 76 72.454 0.990 -3.039 1.00 0.00 O ATOM 1060 OD2 ASP A 76 70.921 1.461 -4.509 1.00 0.00 O ATOM 0 H ASP A 76 72.194 -0.844 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 76 72.568 -2.753 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.639 -0.860 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.678 -1.262 -4.095 1.00 0.00 H new ATOM 1065 N GLU A 77 74.413 -0.106 -4.602 1.00 0.00 N ATOM 1066 CA GLU A 77 75.500 0.450 -5.408 1.00 0.00 C ATOM 1067 C GLU A 77 75.614 1.957 -5.194 1.00 0.00 C ATOM 1068 O GLU A 77 76.678 2.541 -5.412 1.00 0.00 O ATOM 1069 CB GLU A 77 75.361 0.126 -6.918 1.00 0.00 C ATOM 1070 CG GLU A 77 73.940 -0.127 -7.438 1.00 0.00 C ATOM 1071 CD GLU A 77 73.022 1.078 -7.375 1.00 0.00 C ATOM 1072 OE1 GLU A 77 73.518 2.213 -7.505 1.00 0.00 O ATOM 1073 OE2 GLU A 77 71.806 0.888 -7.194 1.00 0.00 O ATOM 0 H GLU A 77 73.947 0.586 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 77 76.416 -0.031 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 77 75.789 0.953 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 77 75.965 -0.755 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 77 74.001 -0.468 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.495 -0.937 -6.861 1.00 0.00 H new ATOM 1080 N ALA A 78 74.513 2.570 -4.751 1.00 0.00 N ATOM 1081 CA ALA A 78 74.484 3.999 -4.409 1.00 0.00 C ATOM 1082 C ALA A 78 74.815 4.904 -5.603 1.00 0.00 C ATOM 1083 O ALA A 78 75.321 6.011 -5.420 1.00 0.00 O ATOM 1084 CB ALA A 78 75.447 4.276 -3.258 1.00 0.00 C ATOM 0 H ALA A 78 73.620 2.095 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 78 73.464 4.236 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 78 75.421 5.337 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 78 75.151 3.692 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 78 76.458 3.998 -3.555 1.00 0.00 H new