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 21 SER OG : rot 119:sc= 1.33 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.417 K(o=0.91,f=-0.088!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.061) USER MOD Single : A 9 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.51) USER MOD Single : A 11 SER OG : rot -42:sc= -0.459 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 102:sc= 0.715 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 37 SER OG : rot -4:sc= 0.0966 USER MOD Single : A 39 SER OG : rot 86:sc= 0.472 USER MOD Single : A 42 TYR OH : rot -123:sc= 0.584 USER MOD Single : A 44 THR OG1 : rot -46:sc= 0.879 USER MOD Single : A 49 THR OG1 : rot 1:sc= 0.756 USER MOD Single : A 50 GLN : amide:sc= -0.551 K(o=-0.55,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot 43:sc= 1.27 USER MOD Single : A 54 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.002) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0203 USER MOD Single : A 67 ASN : amide:sc= 1.19 K(o=1.2,f=-0.1) USER MOD Single : A 69 ASN : amide:sc= -11.6! C(o=-12!,f=-7.8!) USER MOD Single : A 74 ASN : amide:sc= -1.99! K(o=-2!,f=-0.11) USER MOD Single : A 75 SER OG : rot -107:sc= -1.36! USER MOD ----------------------------------------------------------------- ATOM 24 N ARG A 3 37.241 -0.845 -3.642 1.00 0.00 N ATOM 25 CA ARG A 3 37.136 -0.441 -2.243 1.00 0.00 C ATOM 26 C ARG A 3 38.399 -0.803 -1.479 1.00 0.00 C ATOM 27 O ARG A 3 38.833 -0.058 -0.603 1.00 0.00 O ATOM 28 CB ARG A 3 35.918 -1.079 -1.564 1.00 0.00 C ATOM 29 CG ARG A 3 34.681 -0.197 -1.579 1.00 0.00 C ATOM 30 CD ARG A 3 33.544 -0.830 -0.797 1.00 0.00 C ATOM 31 NE ARG A 3 32.420 0.092 -0.611 1.00 0.00 N ATOM 32 CZ ARG A 3 31.292 -0.225 0.029 1.00 0.00 C ATOM 33 NH1 ARG A 3 31.124 -1.451 0.517 1.00 0.00 N ATOM 34 NH2 ARG A 3 30.334 0.684 0.180 1.00 0.00 N ATOM 0 HA ARG A 3 37.010 0.642 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 3 35.688 -2.021 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 3 36.172 -1.317 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 3 34.921 0.777 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 3 34.366 -0.025 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 3 33.198 -1.722 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 3 33.911 -1.154 0.177 1.00 0.00 H new ATOM 0 HE ARG A 3 32.505 1.034 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 3 31.858 -2.150 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 3 30.262 -1.692 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 3 30.460 1.625 -0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 3 29.473 0.441 0.669 1.00 0.00 H new ATOM 48 N THR A 4 38.974 -1.957 -1.798 1.00 0.00 N ATOM 49 CA THR A 4 40.203 -2.397 -1.156 1.00 0.00 C ATOM 50 C THR A 4 41.361 -2.442 -2.148 1.00 0.00 C ATOM 51 O THR A 4 42.450 -2.910 -1.814 1.00 0.00 O ATOM 52 CB THR A 4 40.023 -3.787 -0.529 1.00 0.00 C ATOM 53 OG1 THR A 4 39.410 -4.672 -1.480 1.00 0.00 O ATOM 54 CG2 THR A 4 39.167 -3.710 0.727 1.00 0.00 C ATOM 0 H THR A 4 38.608 -2.603 -2.497 1.00 0.00 H new ATOM 0 HA THR A 4 40.435 -1.674 -0.374 1.00 0.00 H new ATOM 0 HB THR A 4 41.005 -4.170 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 4 39.298 -5.558 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 4 39.054 -4.707 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 4 39.648 -3.057 1.455 1.00 0.00 H new ATOM 0 HG23 THR A 4 38.185 -3.310 0.474 1.00 0.00 H new ATOM 62 N CYS A 5 41.107 -1.950 -3.365 1.00 0.00 N ATOM 63 CA CYS A 5 42.110 -1.918 -4.433 1.00 0.00 C ATOM 64 C CYS A 5 42.409 -3.340 -4.939 1.00 0.00 C ATOM 65 O CYS A 5 42.040 -4.327 -4.295 1.00 0.00 O ATOM 66 CB CYS A 5 43.386 -1.217 -3.937 1.00 0.00 C ATOM 67 SG CYS A 5 43.978 0.127 -5.019 1.00 0.00 S ATOM 0 H CYS A 5 40.203 -1.564 -3.636 1.00 0.00 H new ATOM 0 HA CYS A 5 41.715 -1.348 -5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 5 43.200 -0.811 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 5 44.177 -1.960 -3.835 1.00 0.00 H new ATOM 72 N PRO A 6 43.032 -3.477 -6.127 1.00 0.00 N ATOM 73 CA PRO A 6 43.391 -4.790 -6.672 1.00 0.00 C ATOM 74 C PRO A 6 44.556 -5.430 -5.911 1.00 0.00 C ATOM 75 O PRO A 6 45.175 -4.783 -5.068 1.00 0.00 O ATOM 76 CB PRO A 6 43.796 -4.472 -8.116 1.00 0.00 C ATOM 77 CG PRO A 6 44.261 -3.060 -8.079 1.00 0.00 C ATOM 78 CD PRO A 6 43.433 -2.376 -7.029 1.00 0.00 C ATOM 0 HA PRO A 6 42.574 -5.508 -6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 6 44.586 -5.139 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.955 -4.594 -8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 6 45.322 -3.005 -7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 6 44.132 -2.582 -9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 6 44.006 -1.614 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 6 42.566 -1.879 -7.464 1.00 0.00 H new ATOM 86 N PRO A 7 44.859 -6.711 -6.182 1.00 0.00 N ATOM 87 CA PRO A 7 45.996 -7.400 -5.562 1.00 0.00 C ATOM 88 C PRO A 7 47.298 -6.612 -5.706 1.00 0.00 C ATOM 89 O PRO A 7 47.551 -6.006 -6.748 1.00 0.00 O ATOM 90 CB PRO A 7 46.079 -8.716 -6.339 1.00 0.00 C ATOM 91 CG PRO A 7 44.691 -8.954 -6.822 1.00 0.00 C ATOM 92 CD PRO A 7 44.109 -7.594 -7.094 1.00 0.00 C ATOM 0 HA PRO A 7 45.859 -7.531 -4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 7 46.781 -8.642 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 7 46.423 -9.531 -5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 7 44.691 -9.566 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 7 44.104 -9.488 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 7 44.242 -7.301 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 7 43.039 -7.567 -6.889 1.00 0.00 H new ATOM 100 N ASN A 8 48.098 -6.623 -4.637 1.00 0.00 N ATOM 101 CA ASN A 8 49.390 -5.926 -4.589 1.00 0.00 C ATOM 102 C ASN A 8 49.182 -4.411 -4.527 1.00 0.00 C ATOM 103 O ASN A 8 50.086 -3.623 -4.811 1.00 0.00 O ATOM 104 CB ASN A 8 50.264 -6.312 -5.794 1.00 0.00 C ATOM 105 CG ASN A 8 51.747 -6.071 -5.559 1.00 0.00 C ATOM 106 OD1 ASN A 8 52.447 -6.936 -5.041 1.00 0.00 O ATOM 107 ND2 ASN A 8 52.237 -4.900 -5.940 1.00 0.00 N ATOM 0 H ASN A 8 47.868 -7.118 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 8 49.912 -6.235 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 8 50.106 -7.365 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 8 49.943 -5.741 -6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 8 53.227 -4.693 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 8 51.624 -4.205 -6.367 1.00 0.00 H new ATOM 114 N GLN A 9 47.985 -4.009 -4.130 1.00 0.00 N ATOM 115 CA GLN A 9 47.653 -2.601 -3.998 1.00 0.00 C ATOM 116 C GLN A 9 47.095 -2.312 -2.615 1.00 0.00 C ATOM 117 O GLN A 9 47.002 -3.205 -1.771 1.00 0.00 O ATOM 118 CB GLN A 9 46.637 -2.177 -5.062 1.00 0.00 C ATOM 119 CG GLN A 9 47.197 -1.236 -6.112 1.00 0.00 C ATOM 120 CD GLN A 9 48.240 -1.881 -7.009 1.00 0.00 C ATOM 121 OE1 GLN A 9 49.159 -1.220 -7.486 1.00 0.00 O ATOM 122 NE2 GLN A 9 48.097 -3.172 -7.256 1.00 0.00 N ATOM 0 H GLN A 9 47.223 -4.644 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 9 48.569 -2.028 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 9 46.252 -3.068 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 9 45.792 -1.695 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 9 46.379 -0.864 -6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 9 47.640 -0.373 -5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 9 47.321 -3.688 -6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 9 48.763 -3.652 -7.861 1.00 0.00 H new ATOM 131 N PHE A 10 46.732 -1.061 -2.398 1.00 0.00 N ATOM 132 CA PHE A 10 46.199 -0.611 -1.127 1.00 0.00 C ATOM 133 C PHE A 10 45.270 0.578 -1.359 1.00 0.00 C ATOM 134 O PHE A 10 45.557 1.453 -2.165 1.00 0.00 O ATOM 135 CB PHE A 10 47.355 -0.229 -0.196 1.00 0.00 C ATOM 136 CG PHE A 10 46.932 0.354 1.122 1.00 0.00 C ATOM 137 CD1 PHE A 10 46.456 -0.455 2.143 1.00 0.00 C ATOM 138 CD2 PHE A 10 47.016 1.717 1.338 1.00 0.00 C ATOM 139 CE1 PHE A 10 46.073 0.090 3.357 1.00 0.00 C ATOM 140 CE2 PHE A 10 46.635 2.267 2.544 1.00 0.00 C ATOM 141 CZ PHE A 10 46.162 1.455 3.556 1.00 0.00 C ATOM 0 H PHE A 10 46.799 -0.326 -3.102 1.00 0.00 H new ATOM 0 HA PHE A 10 45.627 -1.411 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 10 47.961 -1.116 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 10 47.994 0.491 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 10 46.383 -1.522 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 10 47.385 2.359 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 10 45.706 -0.550 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 10 46.707 3.334 2.697 1.00 0.00 H new ATOM 0 HZ PHE A 10 45.862 1.885 4.500 1.00 0.00 H new ATOM 151 N SER A 11 44.163 0.615 -0.656 1.00 0.00 N ATOM 152 CA SER A 11 43.211 1.686 -0.827 1.00 0.00 C ATOM 153 C SER A 11 43.259 2.666 0.325 1.00 0.00 C ATOM 154 O SER A 11 43.000 2.317 1.476 1.00 0.00 O ATOM 155 CB SER A 11 41.790 1.151 -0.981 1.00 0.00 C ATOM 156 OG SER A 11 41.592 0.606 -2.267 1.00 0.00 O ATOM 0 H SER A 11 43.900 -0.083 0.039 1.00 0.00 H new ATOM 0 HA SER A 11 43.492 2.208 -1.741 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.601 0.388 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 11 41.074 1.955 -0.808 1.00 0.00 H new ATOM 0 HG SER A 11 42.003 1.191 -2.937 1.00 0.00 H new ATOM 162 N CYS A 12 43.629 3.891 -0.007 1.00 0.00 N ATOM 163 CA CYS A 12 43.556 4.999 0.924 1.00 0.00 C ATOM 164 C CYS A 12 42.120 5.154 1.409 1.00 0.00 C ATOM 165 O CYS A 12 41.187 5.018 0.611 1.00 0.00 O ATOM 166 CB CYS A 12 44.046 6.280 0.241 1.00 0.00 C ATOM 167 SG CYS A 12 44.039 7.773 1.287 1.00 0.00 S ATOM 0 H CYS A 12 43.987 4.143 -0.928 1.00 0.00 H new ATOM 0 HA CYS A 12 44.196 4.805 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 12 45.061 6.114 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 12 43.423 6.467 -0.634 1.00 0.00 H new ATOM 172 N ALA A 13 41.975 5.461 2.700 1.00 0.00 N ATOM 173 CA ALA A 13 40.691 5.447 3.418 1.00 0.00 C ATOM 174 C ALA A 13 39.476 5.711 2.538 1.00 0.00 C ATOM 175 O ALA A 13 39.194 6.854 2.176 1.00 0.00 O ATOM 176 CB ALA A 13 40.726 6.467 4.540 1.00 0.00 C ATOM 0 H ALA A 13 42.761 5.732 3.291 1.00 0.00 H new ATOM 0 HA ALA A 13 40.575 4.434 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 13 39.774 6.456 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 13 41.531 6.219 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 13 40.898 7.460 4.124 1.00 0.00 H new ATOM 182 N SER A 14 38.795 4.615 2.193 1.00 0.00 N ATOM 183 CA SER A 14 37.523 4.631 1.472 1.00 0.00 C ATOM 184 C SER A 14 37.499 5.630 0.318 1.00 0.00 C ATOM 185 O SER A 14 36.969 6.734 0.451 1.00 0.00 O ATOM 186 CB SER A 14 36.374 4.916 2.440 1.00 0.00 C ATOM 187 OG SER A 14 36.340 3.955 3.481 1.00 0.00 O ATOM 0 H SER A 14 39.121 3.674 2.412 1.00 0.00 H new ATOM 0 HA SER A 14 37.400 3.642 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 14 36.489 5.913 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 14 35.427 4.907 1.900 1.00 0.00 H new ATOM 0 HG SER A 14 35.599 4.158 4.089 1.00 0.00 H new ATOM 193 N GLY A 15 38.097 5.256 -0.803 1.00 0.00 N ATOM 194 CA GLY A 15 37.962 6.068 -1.993 1.00 0.00 C ATOM 195 C GLY A 15 39.179 6.038 -2.889 1.00 0.00 C ATOM 196 O GLY A 15 39.058 5.902 -4.105 1.00 0.00 O ATOM 0 H GLY A 15 38.666 4.416 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.096 5.726 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.764 7.099 -1.699 1.00 0.00 H new ATOM 200 N ARG A 16 40.355 6.168 -2.299 1.00 0.00 N ATOM 201 CA ARG A 16 41.568 6.291 -3.082 1.00 0.00 C ATOM 202 C ARG A 16 42.178 4.911 -3.308 1.00 0.00 C ATOM 203 O ARG A 16 41.706 3.924 -2.747 1.00 0.00 O ATOM 204 CB ARG A 16 42.568 7.233 -2.397 1.00 0.00 C ATOM 205 CG ARG A 16 42.021 8.628 -2.081 1.00 0.00 C ATOM 206 CD ARG A 16 41.092 8.633 -0.863 1.00 0.00 C ATOM 207 NE ARG A 16 40.503 9.951 -0.619 1.00 0.00 N ATOM 208 CZ ARG A 16 39.397 10.158 0.103 1.00 0.00 C ATOM 209 NH1 ARG A 16 38.767 9.140 0.681 1.00 0.00 N ATOM 210 NH2 ARG A 16 38.923 11.389 0.252 1.00 0.00 N ATOM 0 H ARG A 16 40.493 6.191 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 16 41.321 6.725 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 16 42.904 6.771 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 16 43.444 7.338 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 16 42.853 9.309 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 16 41.480 9.007 -2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 16 40.296 7.904 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 16 41.651 8.318 0.019 1.00 0.00 H new ATOM 0 HE ARG A 16 40.966 10.763 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 39.127 8.191 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 16 37.924 9.308 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 16 39.403 12.176 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 16 38.079 11.547 0.803 1.00 0.00 H new ATOM 224 N CYS A 17 43.236 4.844 -4.101 1.00 0.00 N ATOM 225 CA CYS A 17 43.824 3.570 -4.480 1.00 0.00 C ATOM 226 C CYS A 17 45.282 3.761 -4.853 1.00 0.00 C ATOM 227 O CYS A 17 45.599 4.395 -5.859 1.00 0.00 O ATOM 228 CB CYS A 17 43.054 2.949 -5.651 1.00 0.00 C ATOM 229 SG CYS A 17 42.348 1.308 -5.292 1.00 0.00 S ATOM 0 H CYS A 17 43.706 5.659 -4.495 1.00 0.00 H new ATOM 0 HA CYS A 17 43.762 2.891 -3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.248 3.624 -5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.723 2.865 -6.508 1.00 0.00 H new ATOM 234 N ILE A 18 46.157 3.244 -4.015 1.00 0.00 N ATOM 235 CA ILE A 18 47.581 3.351 -4.220 1.00 0.00 C ATOM 236 C ILE A 18 48.172 1.940 -4.311 1.00 0.00 C ATOM 237 O ILE A 18 47.491 0.970 -3.982 1.00 0.00 O ATOM 238 CB ILE A 18 48.221 4.120 -3.042 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.307 3.220 -1.819 1.00 0.00 C ATOM 240 CG2 ILE A 18 47.377 5.345 -2.701 1.00 0.00 C ATOM 241 CD1 ILE A 18 49.238 3.740 -0.752 1.00 0.00 C ATOM 0 H ILE A 18 45.896 2.736 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 18 47.786 3.894 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 18 49.223 4.435 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 18 47.310 3.102 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 48.640 2.230 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 18 47.834 5.882 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 18 47.320 6.001 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 18 46.373 5.028 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.249 3.048 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.244 3.831 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 18 48.894 4.717 -0.413 1.00 0.00 H new ATOM 253 N PRO A 19 49.416 1.780 -4.773 1.00 0.00 N ATOM 254 CA PRO A 19 50.083 0.480 -4.770 1.00 0.00 C ATOM 255 C PRO A 19 50.583 0.106 -3.375 1.00 0.00 C ATOM 256 O PRO A 19 50.687 0.957 -2.494 1.00 0.00 O ATOM 257 CB PRO A 19 51.258 0.664 -5.746 1.00 0.00 C ATOM 258 CG PRO A 19 51.106 2.038 -6.323 1.00 0.00 C ATOM 259 CD PRO A 19 50.265 2.819 -5.353 1.00 0.00 C ATOM 0 HA PRO A 19 49.412 -0.328 -5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 19 52.213 0.561 -5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 19 51.236 -0.093 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 19 52.079 2.510 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 19 50.630 1.997 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.872 3.317 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.680 3.591 -5.852 1.00 0.00 H new ATOM 267 N ILE A 20 50.866 -1.174 -3.166 1.00 0.00 N ATOM 268 CA ILE A 20 51.405 -1.629 -1.897 1.00 0.00 C ATOM 269 C ILE A 20 52.899 -1.328 -1.836 1.00 0.00 C ATOM 270 O ILE A 20 53.483 -0.919 -2.842 1.00 0.00 O ATOM 271 CB ILE A 20 51.146 -3.139 -1.681 1.00 0.00 C ATOM 272 CG1 ILE A 20 51.002 -3.442 -0.191 1.00 0.00 C ATOM 273 CG2 ILE A 20 52.246 -3.994 -2.308 1.00 0.00 C ATOM 274 CD1 ILE A 20 49.854 -2.708 0.469 1.00 0.00 C ATOM 0 H ILE A 20 50.731 -1.911 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 20 50.896 -1.092 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 20 50.213 -3.396 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 20 50.860 -4.515 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 20 51.930 -3.178 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 20 52.030 -5.048 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 20 52.289 -3.803 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 20 53.205 -3.742 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 20 49.813 -2.972 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 20 50.004 -1.633 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 20 48.917 -2.990 -0.012 1.00 0.00 H new ATOM 286 N SER A 21 53.495 -1.542 -0.660 1.00 0.00 N ATOM 287 CA SER A 21 54.892 -1.202 -0.394 1.00 0.00 C ATOM 288 C SER A 21 55.022 0.300 -0.154 1.00 0.00 C ATOM 289 O SER A 21 56.124 0.823 -0.003 1.00 0.00 O ATOM 290 CB SER A 21 55.805 -1.667 -1.544 1.00 0.00 C ATOM 291 OG SER A 21 57.177 -1.612 -1.187 1.00 0.00 O ATOM 0 H SER A 21 53.017 -1.959 0.139 1.00 0.00 H new ATOM 0 HA SER A 21 55.216 -1.726 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 21 55.544 -2.687 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 21 55.633 -1.041 -2.420 1.00 0.00 H new ATOM 0 HG SER A 21 57.565 -2.511 -1.238 1.00 0.00 H new ATOM 297 N TRP A 22 53.876 0.974 -0.095 1.00 0.00 N ATOM 298 CA TRP A 22 53.844 2.427 0.124 1.00 0.00 C ATOM 299 C TRP A 22 53.432 2.787 1.545 1.00 0.00 C ATOM 300 O TRP A 22 53.827 3.815 2.071 1.00 0.00 O ATOM 301 CB TRP A 22 52.867 3.100 -0.849 1.00 0.00 C ATOM 302 CG TRP A 22 53.306 3.076 -2.282 1.00 0.00 C ATOM 303 CD1 TRP A 22 53.759 2.002 -2.983 1.00 0.00 C ATOM 304 CD2 TRP A 22 53.315 4.181 -3.197 1.00 0.00 C ATOM 305 NE1 TRP A 22 54.045 2.365 -4.270 1.00 0.00 N ATOM 306 CE2 TRP A 22 53.785 3.698 -4.428 1.00 0.00 C ATOM 307 CE3 TRP A 22 52.970 5.529 -3.093 1.00 0.00 C ATOM 308 CZ2 TRP A 22 53.923 4.514 -5.546 1.00 0.00 C ATOM 309 CZ3 TRP A 22 53.103 6.340 -4.203 1.00 0.00 C ATOM 310 CH2 TRP A 22 53.576 5.830 -5.414 1.00 0.00 C ATOM 0 H TRP A 22 52.957 0.543 -0.195 1.00 0.00 H new ATOM 0 HA TRP A 22 54.859 2.786 -0.048 1.00 0.00 H new ATOM 0 HB2 TRP A 22 51.898 2.608 -0.770 1.00 0.00 H new ATOM 0 HB3 TRP A 22 52.724 4.136 -0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 22 53.876 1.006 -2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 22 54.396 1.741 -4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 22 52.605 5.932 -2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 54.290 4.123 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 52.837 7.384 -4.133 1.00 0.00 H new ATOM 0 HH2 TRP A 22 53.670 6.489 -6.264 1.00 0.00 H new ATOM 321 N THR A 23 52.641 1.925 2.156 1.00 0.00 N ATOM 322 CA THR A 23 51.956 2.264 3.393 1.00 0.00 C ATOM 323 C THR A 23 52.899 2.487 4.578 1.00 0.00 C ATOM 324 O THR A 23 53.164 3.610 4.996 1.00 0.00 O ATOM 325 CB THR A 23 50.919 1.172 3.748 1.00 0.00 C ATOM 326 OG1 THR A 23 51.551 -0.098 3.975 1.00 0.00 O ATOM 327 CG2 THR A 23 49.917 1.001 2.631 1.00 0.00 C ATOM 0 H THR A 23 52.455 0.981 1.816 1.00 0.00 H new ATOM 0 HA THR A 23 51.456 3.215 3.210 1.00 0.00 H new ATOM 0 HB THR A 23 50.417 1.499 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 23 51.618 -0.263 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.198 0.228 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 23 49.393 1.942 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.436 0.709 1.718 1.00 0.00 H new ATOM 335 N CYS A 24 53.374 1.398 5.111 1.00 0.00 N ATOM 336 CA CYS A 24 54.107 1.381 6.351 1.00 0.00 C ATOM 337 C CYS A 24 55.622 1.502 6.155 1.00 0.00 C ATOM 338 O CYS A 24 56.312 0.477 6.099 1.00 0.00 O ATOM 339 CB CYS A 24 53.806 0.064 7.050 1.00 0.00 C ATOM 340 SG CYS A 24 52.031 -0.318 7.210 1.00 0.00 S ATOM 0 H CYS A 24 53.262 0.476 4.689 1.00 0.00 H new ATOM 0 HA CYS A 24 53.793 2.243 6.940 1.00 0.00 H new ATOM 0 HB2 CYS A 24 54.290 -0.743 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 24 54.251 0.085 8.045 1.00 0.00 H new ATOM 345 N ASP A 25 56.155 2.715 6.068 1.00 0.00 N ATOM 346 CA ASP A 25 57.609 2.876 5.989 1.00 0.00 C ATOM 347 C ASP A 25 58.111 4.179 6.611 1.00 0.00 C ATOM 348 O ASP A 25 58.506 4.179 7.778 1.00 0.00 O ATOM 349 CB ASP A 25 58.156 2.704 4.559 1.00 0.00 C ATOM 350 CG ASP A 25 57.324 3.379 3.494 1.00 0.00 C ATOM 351 OD1 ASP A 25 57.298 4.624 3.456 1.00 0.00 O ATOM 352 OD2 ASP A 25 56.726 2.648 2.677 1.00 0.00 O ATOM 0 H ASP A 25 55.621 3.584 6.050 1.00 0.00 H new ATOM 0 HA ASP A 25 58.008 2.061 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 25 59.170 3.102 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 25 58.222 1.640 4.333 1.00 0.00 H new ATOM 357 N LEU A 26 58.130 5.281 5.860 1.00 0.00 N ATOM 358 CA LEU A 26 58.804 6.481 6.355 1.00 0.00 C ATOM 359 C LEU A 26 58.148 7.815 5.963 1.00 0.00 C ATOM 360 O LEU A 26 58.262 8.782 6.722 1.00 0.00 O ATOM 361 CB LEU A 26 60.280 6.483 5.922 1.00 0.00 C ATOM 362 CG LEU A 26 61.195 5.560 6.732 1.00 0.00 C ATOM 363 CD1 LEU A 26 62.607 5.582 6.169 1.00 0.00 C ATOM 364 CD2 LEU A 26 61.203 5.973 8.195 1.00 0.00 C ATOM 0 H LEU A 26 57.702 5.368 4.938 1.00 0.00 H new ATOM 0 HA LEU A 26 58.715 6.421 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.335 6.194 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 26 60.662 7.501 5.993 1.00 0.00 H new ATOM 0 HG LEU A 26 60.810 4.543 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 26 63.243 4.921 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 26 62.591 5.244 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 63.000 6.598 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 26 61.858 5.307 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 61.565 6.997 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 26 60.191 5.911 8.596 1.00 0.00 H new ATOM 376 N ASP A 27 57.490 7.922 4.808 1.00 0.00 N ATOM 377 CA ASP A 27 56.997 9.244 4.397 1.00 0.00 C ATOM 378 C ASP A 27 55.474 9.313 4.168 1.00 0.00 C ATOM 379 O ASP A 27 54.698 8.849 5.001 1.00 0.00 O ATOM 380 CB ASP A 27 57.794 9.819 3.208 1.00 0.00 C ATOM 381 CG ASP A 27 57.737 8.994 1.944 1.00 0.00 C ATOM 382 OD1 ASP A 27 56.826 9.238 1.128 1.00 0.00 O ATOM 383 OD2 ASP A 27 58.631 8.150 1.744 1.00 0.00 O ATOM 0 H ASP A 27 57.291 7.154 4.166 1.00 0.00 H new ATOM 0 HA ASP A 27 57.179 9.891 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 27 57.420 10.819 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 27 58.837 9.927 3.507 1.00 0.00 H new ATOM 388 N ASP A 28 55.045 9.905 3.053 1.00 0.00 N ATOM 389 CA ASP A 28 53.697 10.479 2.976 1.00 0.00 C ATOM 390 C ASP A 28 52.770 9.774 1.982 1.00 0.00 C ATOM 391 O ASP A 28 52.777 10.077 0.788 1.00 0.00 O ATOM 392 CB ASP A 28 53.802 11.969 2.621 1.00 0.00 C ATOM 393 CG ASP A 28 52.472 12.702 2.688 1.00 0.00 C ATOM 394 OD1 ASP A 28 52.106 13.178 3.782 1.00 0.00 O ATOM 395 OD2 ASP A 28 51.799 12.833 1.642 1.00 0.00 O ATOM 0 H ASP A 28 55.599 10.000 2.202 1.00 0.00 H new ATOM 0 HA ASP A 28 53.244 10.338 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.507 12.448 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.212 12.067 1.616 1.00 0.00 H new ATOM 400 N ASP A 29 51.981 8.835 2.491 1.00 0.00 N ATOM 401 CA ASP A 29 50.845 8.290 1.757 1.00 0.00 C ATOM 402 C ASP A 29 49.572 8.509 2.565 1.00 0.00 C ATOM 403 O ASP A 29 49.422 9.547 3.216 1.00 0.00 O ATOM 404 CB ASP A 29 51.034 6.803 1.465 1.00 0.00 C ATOM 405 CG ASP A 29 51.569 6.559 0.073 1.00 0.00 C ATOM 406 OD1 ASP A 29 50.770 6.628 -0.892 1.00 0.00 O ATOM 407 OD2 ASP A 29 52.778 6.306 -0.062 1.00 0.00 O ATOM 0 H ASP A 29 52.109 8.432 3.419 1.00 0.00 H new ATOM 0 HA ASP A 29 50.769 8.808 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 29 51.720 6.375 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.081 6.287 1.582 1.00 0.00 H new ATOM 412 N CYS A 30 48.655 7.546 2.540 1.00 0.00 N ATOM 413 CA CYS A 30 47.423 7.662 3.288 1.00 0.00 C ATOM 414 C CYS A 30 46.671 6.336 3.317 1.00 0.00 C ATOM 415 O CYS A 30 46.048 5.927 2.349 1.00 0.00 O ATOM 416 CB CYS A 30 46.525 8.783 2.733 1.00 0.00 C ATOM 417 SG CYS A 30 45.910 8.529 1.033 1.00 0.00 S ATOM 0 H CYS A 30 48.748 6.681 2.008 1.00 0.00 H new ATOM 0 HA CYS A 30 47.690 7.926 4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 30 45.668 8.900 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 30 47.082 9.719 2.763 1.00 0.00 H new ATOM 422 N GLY A 31 46.799 5.633 4.417 1.00 0.00 N ATOM 423 CA GLY A 31 45.874 4.565 4.715 1.00 0.00 C ATOM 424 C GLY A 31 44.675 5.161 5.381 1.00 0.00 C ATOM 425 O GLY A 31 43.539 4.760 5.151 1.00 0.00 O ATOM 0 H GLY A 31 47.528 5.779 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 31 45.584 4.047 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 31 46.342 3.826 5.365 1.00 0.00 H new ATOM 429 N ASP A 32 44.971 6.165 6.189 1.00 0.00 N ATOM 430 CA ASP A 32 43.960 7.042 6.765 1.00 0.00 C ATOM 431 C ASP A 32 44.657 8.290 7.250 1.00 0.00 C ATOM 432 O ASP A 32 44.841 8.479 8.445 1.00 0.00 O ATOM 433 CB ASP A 32 43.191 6.383 7.917 1.00 0.00 C ATOM 434 CG ASP A 32 42.102 7.291 8.474 1.00 0.00 C ATOM 435 OD1 ASP A 32 41.027 7.384 7.851 1.00 0.00 O ATOM 436 OD2 ASP A 32 42.328 7.942 9.518 1.00 0.00 O ATOM 0 H ASP A 32 45.924 6.398 6.467 1.00 0.00 H new ATOM 0 HA ASP A 32 43.220 7.274 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.743 5.453 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.887 6.122 8.714 1.00 0.00 H new ATOM 441 N ARG A 33 45.135 9.075 6.282 1.00 0.00 N ATOM 442 CA ARG A 33 45.944 10.283 6.514 1.00 0.00 C ATOM 443 C ARG A 33 47.305 9.943 7.136 1.00 0.00 C ATOM 444 O ARG A 33 48.292 10.628 6.892 1.00 0.00 O ATOM 445 CB ARG A 33 45.189 11.319 7.364 1.00 0.00 C ATOM 446 CG ARG A 33 45.439 11.213 8.859 1.00 0.00 C ATOM 447 CD ARG A 33 44.217 11.635 9.654 1.00 0.00 C ATOM 448 NE ARG A 33 43.084 10.733 9.423 1.00 0.00 N ATOM 449 CZ ARG A 33 41.889 11.121 8.992 1.00 0.00 C ATOM 450 NH1 ARG A 33 41.662 12.396 8.702 1.00 0.00 N ATOM 451 NH2 ARG A 33 40.926 10.223 8.829 1.00 0.00 N ATOM 0 H ARG A 33 44.969 8.888 5.293 1.00 0.00 H new ATOM 0 HA ARG A 33 46.131 10.732 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 33 45.472 12.318 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 33 44.120 11.212 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 33 45.704 10.187 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 33 46.288 11.839 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 33 44.461 11.649 10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 33 43.936 12.651 9.378 1.00 0.00 H new ATOM 0 HE ARG A 33 43.223 9.739 9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 33 42.407 13.084 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 33 40.742 12.688 8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 33 41.105 9.240 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 33 40.007 10.516 8.498 1.00 0.00 H new ATOM 465 N SER A 34 47.344 8.896 7.945 1.00 0.00 N ATOM 466 CA SER A 34 48.577 8.407 8.518 1.00 0.00 C ATOM 467 C SER A 34 48.537 6.886 8.628 1.00 0.00 C ATOM 468 O SER A 34 48.161 6.334 9.659 1.00 0.00 O ATOM 469 CB SER A 34 48.813 9.039 9.891 1.00 0.00 C ATOM 470 OG SER A 34 48.784 10.454 9.807 1.00 0.00 O ATOM 0 H SER A 34 46.518 8.364 8.220 1.00 0.00 H new ATOM 0 HA SER A 34 49.404 8.687 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 34 48.050 8.696 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 34 49.776 8.714 10.285 1.00 0.00 H new ATOM 0 HG SER A 34 48.935 10.838 10.696 1.00 0.00 H new ATOM 476 N ASP A 35 48.891 6.221 7.539 1.00 0.00 N ATOM 477 CA ASP A 35 49.066 4.762 7.523 1.00 0.00 C ATOM 478 C ASP A 35 50.446 4.412 8.033 1.00 0.00 C ATOM 479 O ASP A 35 51.028 3.388 7.683 1.00 0.00 O ATOM 480 CB ASP A 35 48.850 4.180 6.125 1.00 0.00 C ATOM 481 CG ASP A 35 49.587 4.925 5.025 1.00 0.00 C ATOM 482 OD1 ASP A 35 49.632 6.174 5.078 1.00 0.00 O ATOM 483 OD2 ASP A 35 50.031 4.272 4.074 1.00 0.00 O ATOM 0 H ASP A 35 49.067 6.669 6.639 1.00 0.00 H new ATOM 0 HA ASP A 35 48.313 4.322 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 35 49.171 3.138 6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 35 47.783 4.185 5.901 1.00 0.00 H new ATOM 488 N GLU A 36 50.903 5.240 8.947 1.00 0.00 N ATOM 489 CA GLU A 36 52.228 5.117 9.514 1.00 0.00 C ATOM 490 C GLU A 36 52.144 4.549 10.918 1.00 0.00 C ATOM 491 O GLU A 36 51.726 5.228 11.857 1.00 0.00 O ATOM 492 CB GLU A 36 52.926 6.477 9.539 1.00 0.00 C ATOM 493 CG GLU A 36 53.783 6.739 8.316 1.00 0.00 C ATOM 494 CD GLU A 36 54.974 5.806 8.263 1.00 0.00 C ATOM 495 OE1 GLU A 36 55.936 6.036 9.022 1.00 0.00 O ATOM 496 OE2 GLU A 36 54.931 4.820 7.497 1.00 0.00 O ATOM 0 H GLU A 36 50.363 6.021 9.319 1.00 0.00 H new ATOM 0 HA GLU A 36 52.811 4.438 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 36 52.174 7.261 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 36 53.550 6.540 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 36 53.182 6.614 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 36 54.129 7.772 8.328 1.00 0.00 H new ATOM 503 N SER A 37 52.498 3.271 11.020 1.00 0.00 N ATOM 504 CA SER A 37 52.506 2.537 12.284 1.00 0.00 C ATOM 505 C SER A 37 51.089 2.326 12.817 1.00 0.00 C ATOM 506 O SER A 37 50.898 1.931 13.964 1.00 0.00 O ATOM 507 CB SER A 37 53.378 3.258 13.318 1.00 0.00 C ATOM 508 OG SER A 37 54.713 3.380 12.854 1.00 0.00 O ATOM 0 H SER A 37 52.790 2.709 10.220 1.00 0.00 H new ATOM 0 HA SER A 37 52.935 1.553 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 52.967 4.247 13.521 1.00 0.00 H new ATOM 0 HB3 SER A 37 53.364 2.708 14.259 1.00 0.00 H new ATOM 0 HG SER A 37 54.806 2.912 11.998 1.00 0.00 H new ATOM 514 N ALA A 38 50.099 2.559 11.961 1.00 0.00 N ATOM 515 CA ALA A 38 48.705 2.383 12.340 1.00 0.00 C ATOM 516 C ALA A 38 48.201 1.016 11.909 1.00 0.00 C ATOM 517 O ALA A 38 47.001 0.745 11.905 1.00 0.00 O ATOM 518 CB ALA A 38 47.846 3.487 11.740 1.00 0.00 C ATOM 0 H ALA A 38 50.238 2.870 11.000 1.00 0.00 H new ATOM 0 HA ALA A 38 48.633 2.445 13.426 1.00 0.00 H new ATOM 0 HB1 ALA A 38 46.807 3.340 12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 38 48.192 4.455 12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.923 3.458 10.653 1.00 0.00 H new ATOM 524 N SER A 39 49.138 0.154 11.561 1.00 0.00 N ATOM 525 CA SER A 39 48.819 -1.179 11.099 1.00 0.00 C ATOM 526 C SER A 39 50.042 -2.077 11.226 1.00 0.00 C ATOM 527 O SER A 39 49.995 -3.145 11.837 1.00 0.00 O ATOM 528 CB SER A 39 48.340 -1.124 9.642 1.00 0.00 C ATOM 529 OG SER A 39 49.224 -0.351 8.846 1.00 0.00 O ATOM 0 H SER A 39 50.137 0.359 11.591 1.00 0.00 H new ATOM 0 HA SER A 39 48.019 -1.592 11.713 1.00 0.00 H new ATOM 0 HB2 SER A 39 48.272 -2.135 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 39 47.338 -0.696 9.600 1.00 0.00 H new ATOM 0 HG SER A 39 49.960 -0.916 8.531 1.00 0.00 H new ATOM 535 N CYS A 40 51.142 -1.627 10.645 1.00 0.00 N ATOM 536 CA CYS A 40 52.368 -2.407 10.630 1.00 0.00 C ATOM 537 C CYS A 40 53.273 -2.050 11.799 1.00 0.00 C ATOM 538 O CYS A 40 53.546 -0.876 12.051 1.00 0.00 O ATOM 539 CB CYS A 40 53.107 -2.193 9.311 1.00 0.00 C ATOM 540 SG CYS A 40 52.027 -2.243 7.845 1.00 0.00 S ATOM 0 H CYS A 40 51.211 -0.724 10.177 1.00 0.00 H new ATOM 0 HA CYS A 40 52.097 -3.458 10.728 1.00 0.00 H new ATOM 0 HB2 CYS A 40 53.616 -1.230 9.343 1.00 0.00 H new ATOM 0 HB3 CYS A 40 53.877 -2.957 9.209 1.00 0.00 H new ATOM 545 N ALA A 41 53.724 -3.066 12.515 1.00 0.00 N ATOM 546 CA ALA A 41 54.764 -2.890 13.513 1.00 0.00 C ATOM 547 C ALA A 41 56.115 -3.109 12.849 1.00 0.00 C ATOM 548 O ALA A 41 56.564 -4.242 12.709 1.00 0.00 O ATOM 549 CB ALA A 41 54.566 -3.848 14.677 1.00 0.00 C ATOM 0 H ALA A 41 53.385 -4.024 12.423 1.00 0.00 H new ATOM 0 HA ALA A 41 54.717 -1.879 13.918 1.00 0.00 H new ATOM 0 HB1 ALA A 41 55.357 -3.697 15.411 1.00 0.00 H new ATOM 0 HB2 ALA A 41 53.598 -3.660 15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 41 54.600 -4.875 14.313 1.00 0.00 H new ATOM 555 N TYR A 42 56.711 -2.014 12.388 1.00 0.00 N ATOM 556 CA TYR A 42 57.934 -2.052 11.570 1.00 0.00 C ATOM 557 C TYR A 42 59.069 -2.807 12.264 1.00 0.00 C ATOM 558 O TYR A 42 59.636 -2.319 13.238 1.00 0.00 O ATOM 559 CB TYR A 42 58.436 -0.629 11.238 1.00 0.00 C ATOM 560 CG TYR A 42 57.398 0.318 10.661 1.00 0.00 C ATOM 561 CD1 TYR A 42 56.108 -0.104 10.399 1.00 0.00 C ATOM 562 CD2 TYR A 42 57.713 1.652 10.402 1.00 0.00 C ATOM 563 CE1 TYR A 42 55.163 0.757 9.897 1.00 0.00 C ATOM 564 CE2 TYR A 42 56.764 2.524 9.902 1.00 0.00 C ATOM 565 CZ TYR A 42 55.490 2.066 9.653 1.00 0.00 C ATOM 566 OH TYR A 42 54.524 2.908 9.167 1.00 0.00 O ATOM 0 H TYR A 42 56.365 -1.071 12.567 1.00 0.00 H new ATOM 0 HA TYR A 42 57.662 -2.575 10.653 1.00 0.00 H new ATOM 0 HB2 TYR A 42 58.840 -0.185 12.148 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.260 -0.711 10.529 1.00 0.00 H new ATOM 0 HD1 TYR A 42 55.838 -1.131 10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 42 58.714 2.009 10.595 1.00 0.00 H new ATOM 0 HE1 TYR A 42 54.163 0.403 9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 42 57.020 3.555 9.708 1.00 0.00 H new ATOM 0 HH TYR A 42 54.827 3.301 8.322 1.00 0.00 H new ATOM 576 N PRO A 43 59.417 -4.005 11.767 1.00 0.00 N ATOM 577 CA PRO A 43 60.587 -4.734 12.240 1.00 0.00 C ATOM 578 C PRO A 43 61.832 -4.335 11.457 1.00 0.00 C ATOM 579 O PRO A 43 62.963 -4.523 11.906 1.00 0.00 O ATOM 580 CB PRO A 43 60.208 -6.187 11.964 1.00 0.00 C ATOM 581 CG PRO A 43 59.307 -6.139 10.770 1.00 0.00 C ATOM 582 CD PRO A 43 58.679 -4.763 10.736 1.00 0.00 C ATOM 0 HA PRO A 43 60.827 -4.539 13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 43 61.092 -6.793 11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 43 59.702 -6.631 12.821 1.00 0.00 H new ATOM 0 HG2 PRO A 43 59.870 -6.327 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.540 -6.910 10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 43 58.781 -4.302 9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 43 57.613 -4.806 10.959 1.00 0.00 H new ATOM 590 N THR A 44 61.589 -3.771 10.281 1.00 0.00 N ATOM 591 CA THR A 44 62.638 -3.343 9.375 1.00 0.00 C ATOM 592 C THR A 44 62.009 -2.617 8.180 1.00 0.00 C ATOM 593 O THR A 44 62.624 -2.495 7.121 1.00 0.00 O ATOM 594 CB THR A 44 63.470 -4.555 8.884 1.00 0.00 C ATOM 595 OG1 THR A 44 64.542 -4.118 8.044 1.00 0.00 O ATOM 596 CG2 THR A 44 62.598 -5.550 8.122 1.00 0.00 C ATOM 0 H THR A 44 60.647 -3.598 9.929 1.00 0.00 H new ATOM 0 HA THR A 44 63.308 -2.665 9.905 1.00 0.00 H new ATOM 0 HB THR A 44 63.879 -5.053 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.204 -3.467 7.394 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.209 -6.389 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 44 61.805 -5.914 8.776 1.00 0.00 H new ATOM 0 HG23 THR A 44 62.156 -5.058 7.256 1.00 0.00 H new ATOM 604 N CYS A 45 60.789 -2.100 8.395 1.00 0.00 N ATOM 605 CA CYS A 45 59.956 -1.543 7.324 1.00 0.00 C ATOM 606 C CYS A 45 59.531 -2.627 6.341 1.00 0.00 C ATOM 607 O CYS A 45 60.359 -3.301 5.733 1.00 0.00 O ATOM 608 CB CYS A 45 60.665 -0.406 6.588 1.00 0.00 C ATOM 609 SG CYS A 45 60.894 1.088 7.600 1.00 0.00 S ATOM 0 H CYS A 45 60.355 -2.058 9.317 1.00 0.00 H new ATOM 0 HA CYS A 45 59.063 -1.131 7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 45 61.639 -0.757 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 45 60.091 -0.147 5.698 1.00 0.00 H new ATOM 614 N PHE A 46 58.223 -2.791 6.201 1.00 0.00 N ATOM 615 CA PHE A 46 57.667 -3.804 5.321 1.00 0.00 C ATOM 616 C PHE A 46 56.166 -3.589 5.165 1.00 0.00 C ATOM 617 O PHE A 46 55.355 -4.282 5.777 1.00 0.00 O ATOM 618 CB PHE A 46 57.961 -5.213 5.857 1.00 0.00 C ATOM 619 CG PHE A 46 57.658 -6.330 4.891 1.00 0.00 C ATOM 620 CD1 PHE A 46 58.608 -6.735 3.967 1.00 0.00 C ATOM 621 CD2 PHE A 46 56.434 -6.984 4.915 1.00 0.00 C ATOM 622 CE1 PHE A 46 58.344 -7.767 3.088 1.00 0.00 C ATOM 623 CE2 PHE A 46 56.164 -8.016 4.037 1.00 0.00 C ATOM 624 CZ PHE A 46 57.121 -8.409 3.123 1.00 0.00 C ATOM 0 H PHE A 46 57.525 -2.231 6.690 1.00 0.00 H new ATOM 0 HA PHE A 46 58.138 -3.713 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 46 59.013 -5.268 6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 46 57.381 -5.370 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 46 59.566 -6.238 3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 46 55.683 -6.682 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 46 59.094 -8.072 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 46 55.206 -8.514 4.066 1.00 0.00 H new ATOM 0 HZ PHE A 46 56.914 -9.217 2.437 1.00 0.00 H new ATOM 634 N PRO A 47 55.780 -2.578 4.381 1.00 0.00 N ATOM 635 CA PRO A 47 54.392 -2.366 3.989 1.00 0.00 C ATOM 636 C PRO A 47 54.020 -3.301 2.861 1.00 0.00 C ATOM 637 O PRO A 47 53.396 -2.892 1.881 1.00 0.00 O ATOM 638 CB PRO A 47 54.386 -0.928 3.497 1.00 0.00 C ATOM 639 CG PRO A 47 55.759 -0.693 2.990 1.00 0.00 C ATOM 640 CD PRO A 47 56.671 -1.546 3.825 1.00 0.00 C ATOM 0 HA PRO A 47 53.684 -2.550 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 47 53.644 -0.782 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 47 54.138 -0.236 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 47 55.835 -0.960 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 47 56.029 0.360 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 47 57.467 -1.987 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 47 57.151 -0.965 4.613 1.00 0.00 H new ATOM 648 N LEU A 48 54.393 -4.566 3.041 1.00 0.00 N ATOM 649 CA LEU A 48 54.345 -5.569 1.992 1.00 0.00 C ATOM 650 C LEU A 48 55.426 -5.297 0.955 1.00 0.00 C ATOM 651 O LEU A 48 55.453 -4.239 0.336 1.00 0.00 O ATOM 652 CB LEU A 48 52.974 -5.650 1.312 1.00 0.00 C ATOM 653 CG LEU A 48 51.846 -6.255 2.150 1.00 0.00 C ATOM 654 CD1 LEU A 48 51.267 -5.227 3.114 1.00 0.00 C ATOM 655 CD2 LEU A 48 50.767 -6.818 1.240 1.00 0.00 C ATOM 0 H LEU A 48 54.740 -4.923 3.931 1.00 0.00 H new ATOM 0 HA LEU A 48 54.524 -6.533 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 48 52.679 -4.644 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.077 -6.237 0.399 1.00 0.00 H new ATOM 0 HG LEU A 48 52.256 -7.069 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 48 50.467 -5.684 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 48 52.051 -4.876 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 48 50.868 -4.384 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 48 49.968 -7.247 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 48 50.363 -6.020 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 48 51.195 -7.592 0.603 1.00 0.00 H new ATOM 667 N THR A 49 56.333 -6.256 0.814 1.00 0.00 N ATOM 668 CA THR A 49 57.374 -6.239 -0.213 1.00 0.00 C ATOM 669 C THR A 49 58.313 -5.025 -0.083 1.00 0.00 C ATOM 670 O THR A 49 58.147 -4.018 -0.769 1.00 0.00 O ATOM 671 CB THR A 49 56.773 -6.311 -1.651 1.00 0.00 C ATOM 672 OG1 THR A 49 56.064 -5.111 -1.987 1.00 0.00 O ATOM 673 CG2 THR A 49 55.816 -7.486 -1.779 1.00 0.00 C ATOM 0 H THR A 49 56.369 -7.079 1.416 1.00 0.00 H new ATOM 0 HA THR A 49 57.972 -7.135 -0.047 1.00 0.00 H new ATOM 0 HB THR A 49 57.612 -6.436 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 49 56.112 -4.482 -1.237 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.410 -7.516 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 49 56.350 -8.414 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 49 55.002 -7.371 -1.064 1.00 0.00 H new ATOM 681 N GLN A 50 59.310 -5.119 0.799 1.00 0.00 N ATOM 682 CA GLN A 50 60.251 -4.013 0.997 1.00 0.00 C ATOM 683 C GLN A 50 61.641 -4.481 1.421 1.00 0.00 C ATOM 684 O GLN A 50 61.874 -5.666 1.669 1.00 0.00 O ATOM 685 CB GLN A 50 59.729 -2.995 2.020 1.00 0.00 C ATOM 686 CG GLN A 50 59.020 -1.816 1.379 1.00 0.00 C ATOM 687 CD GLN A 50 59.280 -0.497 2.087 1.00 0.00 C ATOM 688 OE1 GLN A 50 60.283 -0.328 2.781 1.00 0.00 O ATOM 689 NE2 GLN A 50 58.401 0.467 1.868 1.00 0.00 N ATOM 0 H GLN A 50 59.486 -5.938 1.381 1.00 0.00 H new ATOM 0 HA GLN A 50 60.337 -3.534 0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 50 59.043 -3.495 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.564 -2.628 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 50 59.339 -1.731 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 50 57.947 -2.009 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 50 57.582 0.288 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.542 1.389 2.280 1.00 0.00 H new ATOM 698 N PHE A 51 62.544 -3.511 1.477 1.00 0.00 N ATOM 699 CA PHE A 51 63.927 -3.695 1.901 1.00 0.00 C ATOM 700 C PHE A 51 64.346 -2.444 2.686 1.00 0.00 C ATOM 701 O PHE A 51 63.554 -1.511 2.813 1.00 0.00 O ATOM 702 CB PHE A 51 64.818 -3.891 0.661 1.00 0.00 C ATOM 703 CG PHE A 51 66.263 -4.221 0.958 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.633 -5.470 1.437 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.252 -3.275 0.753 1.00 0.00 C ATOM 706 CE1 PHE A 51 67.959 -5.756 1.708 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.570 -3.553 1.021 1.00 0.00 C ATOM 708 CZ PHE A 51 68.929 -4.795 1.502 1.00 0.00 C ATOM 0 H PHE A 51 62.329 -2.547 1.222 1.00 0.00 H new ATOM 0 HA PHE A 51 64.032 -4.576 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.396 -4.691 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.785 -2.982 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 51 65.879 -6.226 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 51 66.982 -2.300 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 51 68.236 -6.731 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.325 -2.799 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 51 69.964 -5.015 1.717 1.00 0.00 H new ATOM 718 N THR A 52 65.566 -2.399 3.201 1.00 0.00 N ATOM 719 CA THR A 52 66.020 -1.224 3.922 1.00 0.00 C ATOM 720 C THR A 52 67.449 -0.848 3.529 1.00 0.00 C ATOM 721 O THR A 52 68.360 -1.668 3.607 1.00 0.00 O ATOM 722 CB THR A 52 65.915 -1.425 5.458 1.00 0.00 C ATOM 723 OG1 THR A 52 66.328 -0.242 6.152 1.00 0.00 O ATOM 724 CG2 THR A 52 66.758 -2.603 5.929 1.00 0.00 C ATOM 0 H THR A 52 66.250 -3.153 3.134 1.00 0.00 H new ATOM 0 HA THR A 52 65.362 -0.401 3.642 1.00 0.00 H new ATOM 0 HB THR A 52 64.869 -1.634 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 52 65.948 0.546 5.710 1.00 0.00 H new ATOM 0 HG21 THR A 52 66.659 -2.712 7.009 1.00 0.00 H new ATOM 0 HG22 THR A 52 66.415 -3.514 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 52 67.804 -2.426 5.676 1.00 0.00 H new ATOM 732 N CYS A 53 67.623 0.382 3.050 1.00 0.00 N ATOM 733 CA CYS A 53 68.965 0.914 2.790 1.00 0.00 C ATOM 734 C CYS A 53 69.795 0.952 4.072 1.00 0.00 C ATOM 735 O CYS A 53 69.262 1.216 5.152 1.00 0.00 O ATOM 736 CB CYS A 53 68.894 2.330 2.237 1.00 0.00 C ATOM 737 SG CYS A 53 67.663 2.573 0.931 1.00 0.00 S ATOM 0 H CYS A 53 66.862 1.026 2.835 1.00 0.00 H new ATOM 0 HA CYS A 53 69.432 0.252 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 53 68.674 3.015 3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 53 69.875 2.603 1.848 1.00 0.00 H new ATOM 742 N ASN A 54 71.104 0.736 3.950 1.00 0.00 N ATOM 743 CA ASN A 54 71.998 0.795 5.111 1.00 0.00 C ATOM 744 C ASN A 54 72.098 2.219 5.648 1.00 0.00 C ATOM 745 O ASN A 54 72.581 2.442 6.755 1.00 0.00 O ATOM 746 CB ASN A 54 73.398 0.270 4.773 1.00 0.00 C ATOM 747 CG ASN A 54 73.408 -1.220 4.488 1.00 0.00 C ATOM 748 OD1 ASN A 54 73.446 -2.039 5.405 1.00 0.00 O ATOM 749 ND2 ASN A 54 73.417 -1.577 3.215 1.00 0.00 N ATOM 0 H ASN A 54 71.568 0.520 3.068 1.00 0.00 H new ATOM 0 HA ASN A 54 71.568 0.153 5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 54 73.783 0.805 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 54 74.072 0.482 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 54 73.457 -2.564 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 54 73.384 -0.865 2.485 1.00 0.00 H new ATOM 756 N ASN A 55 71.649 3.181 4.843 1.00 0.00 N ATOM 757 CA ASN A 55 71.561 4.576 5.267 1.00 0.00 C ATOM 758 C ASN A 55 70.540 4.738 6.396 1.00 0.00 C ATOM 759 O ASN A 55 70.547 5.732 7.118 1.00 0.00 O ATOM 760 CB ASN A 55 71.155 5.455 4.078 1.00 0.00 C ATOM 761 CG ASN A 55 71.350 6.937 4.331 1.00 0.00 C ATOM 762 OD1 ASN A 55 70.456 7.626 4.821 1.00 0.00 O ATOM 763 ND2 ASN A 55 72.516 7.444 3.960 1.00 0.00 N ATOM 0 H ASN A 55 71.338 3.017 3.886 1.00 0.00 H new ATOM 0 HA ASN A 55 72.539 4.886 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 55 71.738 5.163 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 55 70.108 5.269 3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 55 72.699 8.441 4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 55 73.231 6.838 3.558 1.00 0.00 H new ATOM 770 N GLY A 56 69.672 3.742 6.547 1.00 0.00 N ATOM 771 CA GLY A 56 68.594 3.831 7.513 1.00 0.00 C ATOM 772 C GLY A 56 67.269 4.098 6.831 1.00 0.00 C ATOM 773 O GLY A 56 66.271 4.410 7.474 1.00 0.00 O ATOM 0 H GLY A 56 69.697 2.872 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.533 2.903 8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.806 4.628 8.226 1.00 0.00 H new ATOM 777 N ARG A 57 67.273 3.980 5.512 1.00 0.00 N ATOM 778 CA ARG A 57 66.077 4.209 4.717 1.00 0.00 C ATOM 779 C ARG A 57 65.306 2.920 4.523 1.00 0.00 C ATOM 780 O ARG A 57 65.877 1.836 4.568 1.00 0.00 O ATOM 781 CB ARG A 57 66.455 4.770 3.355 1.00 0.00 C ATOM 782 CG ARG A 57 67.038 6.164 3.408 1.00 0.00 C ATOM 783 CD ARG A 57 67.972 6.393 2.232 1.00 0.00 C ATOM 784 NE ARG A 57 68.436 7.781 2.153 1.00 0.00 N ATOM 785 CZ ARG A 57 69.317 8.224 1.251 1.00 0.00 C ATOM 786 NH1 ARG A 57 69.940 7.369 0.451 1.00 0.00 N ATOM 787 NH2 ARG A 57 69.616 9.517 1.186 1.00 0.00 N ATOM 0 H ARG A 57 68.097 3.725 4.967 1.00 0.00 H new ATOM 0 HA ARG A 57 65.449 4.923 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 57 67.177 4.102 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 57 65.570 4.781 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 57 66.235 6.901 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 57 67.580 6.303 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 57 68.832 5.729 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 57 67.459 6.130 1.307 1.00 0.00 H new ATOM 0 HE ARG A 57 68.064 8.450 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 57 69.747 6.370 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 57 70.612 7.711 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 57 69.173 10.176 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 57 70.289 9.851 0.496 1.00 0.00 H new ATOM 801 N CYS A 58 64.018 3.039 4.290 1.00 0.00 N ATOM 802 CA CYS A 58 63.195 1.893 3.968 1.00 0.00 C ATOM 803 C CYS A 58 62.805 1.971 2.499 1.00 0.00 C ATOM 804 O CYS A 58 62.245 2.973 2.058 1.00 0.00 O ATOM 805 CB CYS A 58 61.968 1.884 4.876 1.00 0.00 C ATOM 806 SG CYS A 58 62.381 2.071 6.644 1.00 0.00 S ATOM 0 H CYS A 58 63.514 3.925 4.318 1.00 0.00 H new ATOM 0 HA CYS A 58 63.740 0.964 4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.298 2.691 4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.425 0.950 4.733 1.00 0.00 H new ATOM 811 N ILE A 59 63.138 0.945 1.730 1.00 0.00 N ATOM 812 CA ILE A 59 62.938 1.003 0.294 1.00 0.00 C ATOM 813 C ILE A 59 62.058 -0.117 -0.219 1.00 0.00 C ATOM 814 O ILE A 59 61.913 -1.151 0.420 1.00 0.00 O ATOM 815 CB ILE A 59 64.258 0.994 -0.491 1.00 0.00 C ATOM 816 CG1 ILE A 59 65.226 -0.062 0.049 1.00 0.00 C ATOM 817 CG2 ILE A 59 64.877 2.369 -0.447 1.00 0.00 C ATOM 818 CD1 ILE A 59 66.534 -0.117 -0.714 1.00 0.00 C ATOM 0 H ILE A 59 63.543 0.074 2.073 1.00 0.00 H new ATOM 0 HA ILE A 59 62.434 1.955 0.125 1.00 0.00 H new ATOM 0 HB ILE A 59 64.046 0.730 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.433 0.147 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.747 -1.040 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 59 65.814 2.364 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 59 64.193 3.090 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 59 65.072 2.647 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 59 67.175 -0.885 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 59 66.336 -0.356 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 59 67.033 0.850 -0.651 1.00 0.00 H new ATOM 830 N ASN A 60 61.493 0.095 -1.395 1.00 0.00 N ATOM 831 CA ASN A 60 60.620 -0.890 -2.013 1.00 0.00 C ATOM 832 C ASN A 60 61.458 -2.061 -2.490 1.00 0.00 C ATOM 833 O ASN A 60 62.629 -1.891 -2.834 1.00 0.00 O ATOM 834 CB ASN A 60 59.864 -0.292 -3.204 1.00 0.00 C ATOM 835 CG ASN A 60 59.080 0.967 -2.868 1.00 0.00 C ATOM 836 OD1 ASN A 60 58.960 1.865 -3.701 1.00 0.00 O ATOM 837 ND2 ASN A 60 58.518 1.032 -1.669 1.00 0.00 N ATOM 0 H ASN A 60 61.624 0.945 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 60 59.889 -1.218 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.577 -0.064 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 60 59.178 -1.041 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.963 1.847 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 60 58.641 0.267 -1.006 1.00 0.00 H new ATOM 844 N ILE A 61 60.862 -3.240 -2.537 1.00 0.00 N ATOM 845 CA ILE A 61 61.593 -4.438 -2.924 1.00 0.00 C ATOM 846 C ILE A 61 61.905 -4.435 -4.427 1.00 0.00 C ATOM 847 O ILE A 61 62.686 -5.250 -4.919 1.00 0.00 O ATOM 848 CB ILE A 61 60.811 -5.715 -2.546 1.00 0.00 C ATOM 849 CG1 ILE A 61 61.737 -6.928 -2.547 1.00 0.00 C ATOM 850 CG2 ILE A 61 59.656 -5.931 -3.505 1.00 0.00 C ATOM 851 CD1 ILE A 61 61.117 -8.168 -1.944 1.00 0.00 C ATOM 0 H ILE A 61 59.879 -3.395 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 61 62.535 -4.436 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 61 60.408 -5.589 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.036 -7.144 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.644 -6.682 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 59.115 -6.835 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 61 58.982 -5.076 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.040 -6.038 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.834 -8.988 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 61 60.843 -7.971 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 61 60.226 -8.441 -2.509 1.00 0.00 H new ATOM 863 N ASN A 62 61.313 -3.485 -5.140 1.00 0.00 N ATOM 864 CA ASN A 62 61.482 -3.385 -6.587 1.00 0.00 C ATOM 865 C ASN A 62 62.695 -2.530 -6.933 1.00 0.00 C ATOM 866 O ASN A 62 62.872 -2.122 -8.076 1.00 0.00 O ATOM 867 CB ASN A 62 60.228 -2.790 -7.231 1.00 0.00 C ATOM 868 CG ASN A 62 58.999 -3.659 -7.040 1.00 0.00 C ATOM 869 OD1 ASN A 62 59.096 -4.877 -6.925 1.00 0.00 O ATOM 870 ND2 ASN A 62 57.830 -3.034 -7.000 1.00 0.00 N ATOM 0 H ASN A 62 60.708 -2.769 -4.738 1.00 0.00 H new ATOM 0 HA ASN A 62 61.641 -4.390 -6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 62 60.040 -1.804 -6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 62 60.405 -2.649 -8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 62 56.971 -3.568 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 62 57.790 -2.020 -7.099 1.00 0.00 H new ATOM 877 N TRP A 63 63.535 -2.271 -5.936 1.00 0.00 N ATOM 878 CA TRP A 63 64.748 -1.481 -6.133 1.00 0.00 C ATOM 879 C TRP A 63 65.956 -2.424 -6.082 1.00 0.00 C ATOM 880 O TRP A 63 67.133 -2.011 -5.979 1.00 0.00 O ATOM 881 CB TRP A 63 64.853 -0.388 -5.065 1.00 0.00 C ATOM 882 CG TRP A 63 63.727 0.618 -5.078 1.00 0.00 C ATOM 883 CD1 TRP A 63 62.415 0.391 -5.384 1.00 0.00 C ATOM 884 CD2 TRP A 63 63.815 2.007 -4.734 1.00 0.00 C ATOM 885 NE1 TRP A 63 61.692 1.554 -5.272 1.00 0.00 N ATOM 886 CE2 TRP A 63 62.527 2.558 -4.878 1.00 0.00 C ATOM 887 CE3 TRP A 63 64.857 2.839 -4.331 1.00 0.00 C ATOM 888 CZ2 TRP A 63 62.258 3.900 -4.626 1.00 0.00 C ATOM 889 CZ3 TRP A 63 64.588 4.171 -4.080 1.00 0.00 C ATOM 890 CH2 TRP A 63 63.300 4.690 -4.230 1.00 0.00 C ATOM 0 H TRP A 63 63.398 -2.598 -4.979 1.00 0.00 H new ATOM 0 HA TRP A 63 64.719 -0.985 -7.103 1.00 0.00 H new ATOM 0 HB2 TRP A 63 64.888 -0.861 -4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 63 65.796 0.141 -5.198 1.00 0.00 H new ATOM 0 HD1 TRP A 63 62.005 -0.566 -5.673 1.00 0.00 H new ATOM 0 HE1 TRP A 63 60.693 1.651 -5.454 1.00 0.00 H new ATOM 0 HE3 TRP A 63 65.858 2.450 -4.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 61.262 4.302 -4.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 65.388 4.823 -3.762 1.00 0.00 H new ATOM 0 HH2 TRP A 63 63.124 5.736 -4.029 1.00 0.00 H new ATOM 901 N ARG A 64 65.612 -3.711 -6.124 1.00 0.00 N ATOM 902 CA ARG A 64 66.561 -4.796 -6.291 1.00 0.00 C ATOM 903 C ARG A 64 66.935 -4.865 -7.765 1.00 0.00 C ATOM 904 O ARG A 64 66.180 -5.407 -8.572 1.00 0.00 O ATOM 905 CB ARG A 64 65.905 -6.111 -5.839 1.00 0.00 C ATOM 906 CG ARG A 64 66.858 -7.282 -5.668 1.00 0.00 C ATOM 907 CD ARG A 64 67.085 -7.597 -4.192 1.00 0.00 C ATOM 908 NE ARG A 64 65.828 -7.851 -3.478 1.00 0.00 N ATOM 909 CZ ARG A 64 65.758 -8.317 -2.226 1.00 0.00 C ATOM 910 NH1 ARG A 64 66.863 -8.604 -1.545 1.00 0.00 N ATOM 911 NH2 ARG A 64 64.573 -8.498 -1.651 1.00 0.00 N ATOM 0 H ARG A 64 64.646 -4.028 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 64 67.456 -4.632 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 64 65.394 -5.937 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 64 65.142 -6.387 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 64 66.454 -8.160 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 64 67.811 -7.051 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 64 67.733 -8.469 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 64 67.606 -6.764 -3.721 1.00 0.00 H new ATOM 0 HE ARG A 64 64.953 -7.660 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 64 67.777 -8.469 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 64 66.796 -8.959 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 64 63.719 -8.282 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 64 64.518 -8.853 -0.696 1.00 0.00 H new ATOM 925 N CYS A 65 68.067 -4.285 -8.127 1.00 0.00 N ATOM 926 CA CYS A 65 68.380 -4.078 -9.535 1.00 0.00 C ATOM 927 C CYS A 65 69.648 -4.797 -9.960 1.00 0.00 C ATOM 928 O CYS A 65 69.610 -5.746 -10.743 1.00 0.00 O ATOM 929 CB CYS A 65 68.523 -2.580 -9.817 1.00 0.00 C ATOM 930 SG CYS A 65 67.117 -1.576 -9.232 1.00 0.00 S ATOM 0 H CYS A 65 68.778 -3.952 -7.476 1.00 0.00 H new ATOM 0 HA CYS A 65 67.557 -4.496 -10.114 1.00 0.00 H new ATOM 0 HB2 CYS A 65 69.436 -2.218 -9.345 1.00 0.00 H new ATOM 0 HB3 CYS A 65 68.639 -2.433 -10.891 1.00 0.00 H new ATOM 0 HG CYS A 65 67.330 -0.325 -9.513 1.00 0.00 H new ATOM 935 N ASP A 66 70.755 -4.333 -9.433 1.00 0.00 N ATOM 936 CA ASP A 66 72.075 -4.739 -9.891 1.00 0.00 C ATOM 937 C ASP A 66 72.472 -6.077 -9.286 1.00 0.00 C ATOM 938 O ASP A 66 72.655 -7.065 -10.001 1.00 0.00 O ATOM 939 CB ASP A 66 73.087 -3.654 -9.520 1.00 0.00 C ATOM 940 CG ASP A 66 72.559 -2.259 -9.814 1.00 0.00 C ATOM 941 OD1 ASP A 66 71.658 -1.798 -9.073 1.00 0.00 O ATOM 942 OD2 ASP A 66 73.020 -1.627 -10.791 1.00 0.00 O ATOM 0 H ASP A 66 70.773 -3.658 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 66 72.057 -4.862 -10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 66 73.332 -3.733 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.012 -3.816 -10.074 1.00 0.00 H new ATOM 947 N ASN A 67 72.604 -6.105 -7.970 1.00 0.00 N ATOM 948 CA ASN A 67 72.896 -7.331 -7.257 1.00 0.00 C ATOM 949 C ASN A 67 71.758 -7.664 -6.305 1.00 0.00 C ATOM 950 O ASN A 67 71.200 -8.764 -6.326 1.00 0.00 O ATOM 951 CB ASN A 67 74.231 -7.202 -6.505 1.00 0.00 C ATOM 952 CG ASN A 67 74.442 -8.294 -5.473 1.00 0.00 C ATOM 953 OD1 ASN A 67 74.914 -9.388 -5.787 1.00 0.00 O ATOM 954 ND2 ASN A 67 74.131 -7.986 -4.224 1.00 0.00 N ATOM 0 H ASN A 67 72.512 -5.284 -7.372 1.00 0.00 H new ATOM 0 HA ASN A 67 72.990 -8.148 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 67 75.050 -7.227 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 67 74.270 -6.231 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 67 74.280 -8.666 -3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 67 73.742 -7.068 -4.007 1.00 0.00 H new ATOM 961 N ASP A 68 71.417 -6.691 -5.487 1.00 0.00 N ATOM 962 CA ASP A 68 70.320 -6.787 -4.547 1.00 0.00 C ATOM 963 C ASP A 68 69.536 -5.466 -4.581 1.00 0.00 C ATOM 964 O ASP A 68 69.432 -4.844 -5.634 1.00 0.00 O ATOM 965 CB ASP A 68 70.846 -7.097 -3.138 1.00 0.00 C ATOM 966 CG ASP A 68 69.754 -7.564 -2.195 1.00 0.00 C ATOM 967 OD1 ASP A 68 69.398 -8.759 -2.233 1.00 0.00 O ATOM 968 OD2 ASP A 68 69.226 -6.733 -1.428 1.00 0.00 O ATOM 0 H ASP A 68 71.903 -5.795 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 68 69.654 -7.604 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 68 71.617 -7.865 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.319 -6.205 -2.727 1.00 0.00 H new ATOM 973 N ASN A 69 69.022 -5.018 -3.445 1.00 0.00 N ATOM 974 CA ASN A 69 68.030 -3.945 -3.413 1.00 0.00 C ATOM 975 C ASN A 69 68.642 -2.641 -2.906 1.00 0.00 C ATOM 976 O ASN A 69 69.228 -2.598 -1.828 1.00 0.00 O ATOM 977 CB ASN A 69 66.881 -4.395 -2.503 1.00 0.00 C ATOM 978 CG ASN A 69 65.596 -3.603 -2.666 1.00 0.00 C ATOM 979 OD1 ASN A 69 64.511 -4.175 -2.614 1.00 0.00 O ATOM 980 ND2 ASN A 69 65.691 -2.296 -2.826 1.00 0.00 N ATOM 0 H ASN A 69 69.275 -5.381 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 69 67.662 -3.751 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 69 66.671 -5.447 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 69 67.207 -4.323 -1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 69 64.847 -1.730 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 69 66.609 -1.852 -2.865 1.00 0.00 H new ATOM 987 N ASP A 70 68.476 -1.568 -3.679 1.00 0.00 N ATOM 988 CA ASP A 70 69.136 -0.302 -3.369 1.00 0.00 C ATOM 989 C ASP A 70 68.190 0.894 -3.419 1.00 0.00 C ATOM 990 O ASP A 70 66.975 0.742 -3.478 1.00 0.00 O ATOM 991 CB ASP A 70 70.265 -0.057 -4.343 1.00 0.00 C ATOM 992 CG ASP A 70 71.416 0.633 -3.670 1.00 0.00 C ATOM 993 OD1 ASP A 70 71.390 1.874 -3.516 1.00 0.00 O ATOM 994 OD2 ASP A 70 72.325 -0.075 -3.239 1.00 0.00 O ATOM 0 H ASP A 70 67.895 -1.550 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 70 69.508 -0.393 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.600 -1.005 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 70 69.908 0.551 -5.174 1.00 0.00 H new ATOM 999 N CYS A 71 68.779 2.090 -3.408 1.00 0.00 N ATOM 1000 CA CYS A 71 68.030 3.336 -3.353 1.00 0.00 C ATOM 1001 C CYS A 71 68.897 4.524 -3.769 1.00 0.00 C ATOM 1002 O CYS A 71 68.572 5.237 -4.715 1.00 0.00 O ATOM 1003 CB CYS A 71 67.500 3.550 -1.941 1.00 0.00 C ATOM 1004 SG CYS A 71 68.742 3.261 -0.641 1.00 0.00 S ATOM 0 H CYS A 71 69.791 2.217 -3.437 1.00 0.00 H new ATOM 0 HA CYS A 71 67.197 3.266 -4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 71 67.126 4.570 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 71 66.653 2.885 -1.776 1.00 0.00 H new ATOM 1009 N GLY A 72 69.994 4.743 -3.048 1.00 0.00 N ATOM 1010 CA GLY A 72 70.868 5.858 -3.352 1.00 0.00 C ATOM 1011 C GLY A 72 71.753 6.243 -2.181 1.00 0.00 C ATOM 1012 O GLY A 72 71.766 7.403 -1.759 1.00 0.00 O ATOM 0 H GLY A 72 70.291 4.168 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.494 5.601 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 72 70.265 6.718 -3.645 1.00 0.00 H new ATOM 1016 N ASP A 73 72.455 5.263 -1.626 1.00 0.00 N ATOM 1017 CA ASP A 73 73.467 5.510 -0.604 1.00 0.00 C ATOM 1018 C ASP A 73 74.517 4.409 -0.640 1.00 0.00 C ATOM 1019 O ASP A 73 75.632 4.614 -1.113 1.00 0.00 O ATOM 1020 CB ASP A 73 72.838 5.624 0.798 1.00 0.00 C ATOM 1021 CG ASP A 73 71.772 4.574 1.083 1.00 0.00 C ATOM 1022 OD1 ASP A 73 72.121 3.444 1.486 1.00 0.00 O ATOM 1023 OD2 ASP A 73 70.579 4.892 0.932 1.00 0.00 O ATOM 0 H ASP A 73 72.341 4.279 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 73 73.947 6.464 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 73 73.626 5.541 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 72.397 6.615 0.908 1.00 0.00 H new ATOM 1028 N ASN A 74 74.135 3.244 -0.151 1.00 0.00 N ATOM 1029 CA ASN A 74 74.953 2.049 -0.195 1.00 0.00 C ATOM 1030 C ASN A 74 74.124 0.911 0.371 1.00 0.00 C ATOM 1031 O ASN A 74 74.492 0.279 1.359 1.00 0.00 O ATOM 1032 CB ASN A 74 76.253 2.216 0.609 1.00 0.00 C ATOM 1033 CG ASN A 74 77.327 1.188 0.254 1.00 0.00 C ATOM 1034 OD1 ASN A 74 78.517 1.484 0.322 1.00 0.00 O ATOM 1035 ND2 ASN A 74 76.928 -0.027 -0.109 1.00 0.00 N ATOM 0 H ASN A 74 73.230 3.100 0.296 1.00 0.00 H new ATOM 0 HA ASN A 74 75.248 1.845 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.650 3.217 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.025 2.139 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.617 -0.742 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.932 -0.244 -0.156 1.00 0.00 H new ATOM 1042 N SER A 75 72.982 0.680 -0.248 1.00 0.00 N ATOM 1043 CA SER A 75 72.047 -0.315 0.237 1.00 0.00 C ATOM 1044 C SER A 75 72.499 -1.695 -0.183 1.00 0.00 C ATOM 1045 O SER A 75 72.933 -2.507 0.632 1.00 0.00 O ATOM 1046 CB SER A 75 70.643 -0.006 -0.286 1.00 0.00 C ATOM 1047 OG SER A 75 69.680 -0.879 0.265 1.00 0.00 O ATOM 0 H SER A 75 72.680 1.170 -1.090 1.00 0.00 H new ATOM 0 HA SER A 75 72.017 -0.287 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 75 70.382 1.024 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 75 70.632 -0.090 -1.373 1.00 0.00 H new ATOM 0 HG SER A 75 69.386 -1.516 -0.420 1.00 0.00 H new ATOM 1053 N ASP A 76 72.404 -1.932 -1.456 1.00 0.00 N ATOM 1054 CA ASP A 76 72.944 -3.119 -2.067 1.00 0.00 C ATOM 1055 C ASP A 76 74.366 -2.821 -2.512 1.00 0.00 C ATOM 1056 O ASP A 76 75.332 -3.448 -2.070 1.00 0.00 O ATOM 1057 CB ASP A 76 72.095 -3.512 -3.265 1.00 0.00 C ATOM 1058 CG ASP A 76 72.781 -4.523 -4.159 1.00 0.00 C ATOM 1059 OD1 ASP A 76 73.446 -5.443 -3.637 1.00 0.00 O ATOM 1060 OD2 ASP A 76 72.626 -4.421 -5.394 1.00 0.00 O ATOM 0 H ASP A 76 71.944 -1.301 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 76 72.941 -3.945 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.149 -3.925 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.858 -2.621 -3.846 1.00 0.00 H new ATOM 1065 N GLU A 77 74.471 -1.797 -3.351 1.00 0.00 N ATOM 1066 CA GLU A 77 75.753 -1.385 -3.929 1.00 0.00 C ATOM 1067 C GLU A 77 75.740 0.064 -4.438 1.00 0.00 C ATOM 1068 O GLU A 77 76.738 0.529 -4.994 1.00 0.00 O ATOM 1069 CB GLU A 77 76.186 -2.344 -5.051 1.00 0.00 C ATOM 1070 CG GLU A 77 75.068 -2.820 -5.969 1.00 0.00 C ATOM 1071 CD GLU A 77 74.430 -1.716 -6.786 1.00 0.00 C ATOM 1072 OE1 GLU A 77 75.091 -1.221 -7.724 1.00 0.00 O ATOM 1073 OE2 GLU A 77 73.269 -1.338 -6.489 1.00 0.00 O ATOM 0 H GLU A 77 73.678 -1.230 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 77 76.483 -1.432 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 77 76.945 -1.849 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 77 76.658 -3.216 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 77 75.465 -3.576 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.299 -3.304 -5.367 1.00 0.00 H new ATOM 1080 N ALA A 78 74.621 0.768 -4.224 1.00 0.00 N ATOM 1081 CA ALA A 78 74.476 2.187 -4.576 1.00 0.00 C ATOM 1082 C ALA A 78 74.347 2.398 -6.085 1.00 0.00 C ATOM 1083 O ALA A 78 74.666 3.474 -6.602 1.00 0.00 O ATOM 1084 CB ALA A 78 75.625 3.012 -4.006 1.00 0.00 C ATOM 0 H ALA A 78 73.785 0.367 -3.799 1.00 0.00 H new ATOM 0 HA ALA A 78 73.547 2.534 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 78 75.493 4.058 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 78 75.635 2.921 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 78 76.570 2.647 -4.409 1.00 0.00 H new