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 -24:sc= 0.499 USER MOD Set 1.2: A 60 ASN : amide:sc= 2.76 K(o=4.4,f=-4.3!) USER MOD Set 1.3: A 62 ASN : amide:sc= 1.16 K(o=4.4,f=1.6) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 8 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.041) USER MOD Single : A 9 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.47) USER MOD Single : A 11 SER OG : rot 32:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.89 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 39 SER OG : rot -140:sc= -1.7! USER MOD Single : A 42 TYR OH : rot -29:sc= -0.273 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 49 THR OG1 : rot -159:sc= -2.08! USER MOD Single : A 50 GLN : amide:sc= -2.57! K(o=-2.6!,f=-1.3) USER MOD Single : A 52 THR OG1 : rot -110:sc= 0.489 USER MOD Single : A 54 ASN : amide:sc= -5.01! C(o=-5!,f=-2.8!) USER MOD Single : A 55 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.1) USER MOD Single : A 65 CYS SG : rot 57:sc= 0.166 USER MOD Single : A 67 ASN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 69 ASN : amide:sc= -7.76! C(o=-7.8!,f=-6.6!) USER MOD Single : A 74 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.14) USER MOD Single : A 75 SER OG : rot 46:sc= -1.13! USER MOD ----------------------------------------------------------------- ATOM 24 N ARG A 3 33.590 -1.656 2.653 1.00 0.00 N ATOM 25 CA ARG A 3 34.277 -1.483 1.379 1.00 0.00 C ATOM 26 C ARG A 3 35.583 -0.724 1.588 1.00 0.00 C ATOM 27 O ARG A 3 35.633 0.233 2.368 1.00 0.00 O ATOM 28 CB ARG A 3 33.382 -0.746 0.359 1.00 0.00 C ATOM 29 CG ARG A 3 33.192 0.761 0.588 1.00 0.00 C ATOM 30 CD ARG A 3 32.383 1.085 1.841 1.00 0.00 C ATOM 31 NE ARG A 3 33.224 1.167 3.038 1.00 0.00 N ATOM 32 CZ ARG A 3 32.757 1.313 4.277 1.00 0.00 C ATOM 33 NH1 ARG A 3 31.448 1.382 4.500 1.00 0.00 N ATOM 34 NH2 ARG A 3 33.604 1.380 5.296 1.00 0.00 N ATOM 0 HA ARG A 3 34.501 -2.470 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 3 33.805 -0.891 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 3 32.400 -1.219 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 3 34.170 1.236 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 3 32.693 1.193 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 3 31.862 2.032 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 3 31.620 0.320 1.987 1.00 0.00 H new ATOM 0 HE ARG A 3 34.235 1.108 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 3 30.794 1.323 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 3 31.098 1.494 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 3 34.608 1.320 5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 3 33.251 1.492 6.246 1.00 0.00 H new ATOM 48 N THR A 4 36.638 -1.160 0.916 1.00 0.00 N ATOM 49 CA THR A 4 37.939 -0.514 1.034 1.00 0.00 C ATOM 50 C THR A 4 38.698 -0.530 -0.289 1.00 0.00 C ATOM 51 O THR A 4 38.631 0.412 -1.075 1.00 0.00 O ATOM 52 CB THR A 4 38.807 -1.183 2.125 1.00 0.00 C ATOM 53 OG1 THR A 4 38.678 -2.610 2.048 1.00 0.00 O ATOM 54 CG2 THR A 4 38.415 -0.710 3.515 1.00 0.00 C ATOM 0 H THR A 4 36.620 -1.959 0.282 1.00 0.00 H new ATOM 0 HA THR A 4 37.745 0.520 1.317 1.00 0.00 H new ATOM 0 HB THR A 4 39.844 -0.897 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 4 39.232 -3.026 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 4 39.045 -1.200 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 4 38.547 0.370 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 4 37.371 -0.960 3.703 1.00 0.00 H new ATOM 62 N CYS A 5 39.400 -1.619 -0.520 1.00 0.00 N ATOM 63 CA CYS A 5 40.263 -1.773 -1.681 1.00 0.00 C ATOM 64 C CYS A 5 40.457 -3.275 -1.928 1.00 0.00 C ATOM 65 O CYS A 5 40.282 -4.065 -0.997 1.00 0.00 O ATOM 66 CB CYS A 5 41.597 -1.065 -1.401 1.00 0.00 C ATOM 67 SG CYS A 5 42.536 -0.558 -2.879 1.00 0.00 S ATOM 0 H CYS A 5 39.390 -2.432 0.096 1.00 0.00 H new ATOM 0 HA CYS A 5 39.826 -1.324 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 5 41.400 -0.181 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 5 42.223 -1.728 -0.803 1.00 0.00 H new ATOM 72 N PRO A 6 40.779 -3.707 -3.167 1.00 0.00 N ATOM 73 CA PRO A 6 40.922 -5.135 -3.499 1.00 0.00 C ATOM 74 C PRO A 6 42.037 -5.823 -2.704 1.00 0.00 C ATOM 75 O PRO A 6 42.816 -5.164 -2.015 1.00 0.00 O ATOM 76 CB PRO A 6 41.263 -5.127 -4.996 1.00 0.00 C ATOM 77 CG PRO A 6 40.827 -3.796 -5.488 1.00 0.00 C ATOM 78 CD PRO A 6 41.031 -2.857 -4.339 1.00 0.00 C ATOM 0 HA PRO A 6 40.018 -5.692 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 6 42.331 -5.276 -5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 6 40.746 -5.930 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 6 41.411 -3.488 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 6 39.782 -3.815 -5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 6 42.040 -2.445 -4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 6 40.343 -2.013 -4.381 1.00 0.00 H new ATOM 86 N PRO A 7 42.122 -7.167 -2.774 1.00 0.00 N ATOM 87 CA PRO A 7 43.181 -7.924 -2.101 1.00 0.00 C ATOM 88 C PRO A 7 44.571 -7.443 -2.512 1.00 0.00 C ATOM 89 O PRO A 7 44.820 -7.196 -3.694 1.00 0.00 O ATOM 90 CB PRO A 7 42.952 -9.376 -2.557 1.00 0.00 C ATOM 91 CG PRO A 7 42.014 -9.288 -3.714 1.00 0.00 C ATOM 92 CD PRO A 7 41.193 -8.053 -3.487 1.00 0.00 C ATOM 0 HA PRO A 7 43.140 -7.806 -1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 7 43.890 -9.849 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 7 42.528 -9.977 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 7 42.560 -9.226 -4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 7 41.380 -10.173 -3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 7 40.856 -7.614 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 7 40.302 -8.264 -2.896 1.00 0.00 H new ATOM 100 N ASN A 8 45.455 -7.291 -1.520 1.00 0.00 N ATOM 101 CA ASN A 8 46.828 -6.808 -1.736 1.00 0.00 C ATOM 102 C ASN A 8 46.818 -5.318 -2.093 1.00 0.00 C ATOM 103 O ASN A 8 47.808 -4.759 -2.565 1.00 0.00 O ATOM 104 CB ASN A 8 47.541 -7.634 -2.822 1.00 0.00 C ATOM 105 CG ASN A 8 49.055 -7.535 -2.741 1.00 0.00 C ATOM 106 OD1 ASN A 8 49.693 -8.293 -2.018 1.00 0.00 O ATOM 107 ND2 ASN A 8 49.640 -6.609 -3.485 1.00 0.00 N ATOM 0 H ASN A 8 45.241 -7.499 -0.544 1.00 0.00 H new ATOM 0 HA ASN A 8 47.386 -6.934 -0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 8 47.245 -8.679 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 8 47.212 -7.295 -3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 8 50.655 -6.508 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 8 49.076 -5.997 -4.074 1.00 0.00 H new ATOM 114 N GLN A 9 45.696 -4.669 -1.819 1.00 0.00 N ATOM 115 CA GLN A 9 45.530 -3.259 -2.111 1.00 0.00 C ATOM 116 C GLN A 9 45.058 -2.518 -0.876 1.00 0.00 C ATOM 117 O GLN A 9 44.326 -3.059 -0.046 1.00 0.00 O ATOM 118 CB GLN A 9 44.532 -3.038 -3.245 1.00 0.00 C ATOM 119 CG GLN A 9 45.163 -2.531 -4.534 1.00 0.00 C ATOM 120 CD GLN A 9 46.010 -3.575 -5.238 1.00 0.00 C ATOM 121 OE1 GLN A 9 46.986 -3.260 -5.917 1.00 0.00 O ATOM 122 NE2 GLN A 9 45.639 -4.830 -5.083 1.00 0.00 N ATOM 0 H GLN A 9 44.880 -5.106 -1.390 1.00 0.00 H new ATOM 0 HA GLN A 9 46.500 -2.872 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 9 44.016 -3.976 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 9 43.777 -2.324 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 9 44.375 -2.197 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 9 45.781 -1.662 -4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 9 44.824 -5.054 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 9 46.167 -5.577 -5.534 1.00 0.00 H new ATOM 131 N PHE A 10 45.489 -1.287 -0.767 1.00 0.00 N ATOM 132 CA PHE A 10 45.126 -0.432 0.334 1.00 0.00 C ATOM 133 C PHE A 10 44.546 0.864 -0.213 1.00 0.00 C ATOM 134 O PHE A 10 45.065 1.437 -1.166 1.00 0.00 O ATOM 135 CB PHE A 10 46.351 -0.169 1.207 1.00 0.00 C ATOM 136 CG PHE A 10 46.130 0.850 2.285 1.00 0.00 C ATOM 137 CD1 PHE A 10 45.328 0.571 3.383 1.00 0.00 C ATOM 138 CD2 PHE A 10 46.732 2.089 2.198 1.00 0.00 C ATOM 139 CE1 PHE A 10 45.130 1.520 4.373 1.00 0.00 C ATOM 140 CE2 PHE A 10 46.537 3.032 3.183 1.00 0.00 C ATOM 141 CZ PHE A 10 45.740 2.755 4.270 1.00 0.00 C ATOM 0 H PHE A 10 46.108 -0.846 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 10 44.371 -0.915 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 10 46.663 -1.106 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 10 47.172 0.163 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 10 44.853 -0.396 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 10 47.361 2.321 1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 10 44.501 1.295 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 10 47.014 3.998 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 10 45.592 3.499 5.039 1.00 0.00 H new ATOM 151 N SER A 11 43.484 1.326 0.402 1.00 0.00 N ATOM 152 CA SER A 11 42.738 2.448 -0.108 1.00 0.00 C ATOM 153 C SER A 11 43.008 3.692 0.714 1.00 0.00 C ATOM 154 O SER A 11 42.779 3.706 1.923 1.00 0.00 O ATOM 155 CB SER A 11 41.236 2.126 -0.080 1.00 0.00 C ATOM 156 OG SER A 11 40.454 3.222 -0.523 1.00 0.00 O ATOM 0 H SER A 11 43.114 0.935 1.268 1.00 0.00 H new ATOM 0 HA SER A 11 43.054 2.636 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.038 1.260 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 11 40.941 1.855 0.934 1.00 0.00 H new ATOM 0 HG SER A 11 40.951 3.726 -1.201 1.00 0.00 H new ATOM 162 N CYS A 12 43.525 4.726 0.057 1.00 0.00 N ATOM 163 CA CYS A 12 43.618 6.026 0.694 1.00 0.00 C ATOM 164 C CYS A 12 42.216 6.481 1.032 1.00 0.00 C ATOM 165 O CYS A 12 41.322 6.378 0.185 1.00 0.00 O ATOM 166 CB CYS A 12 44.324 7.083 -0.176 1.00 0.00 C ATOM 167 SG CYS A 12 46.085 6.755 -0.517 1.00 0.00 S ATOM 0 H CYS A 12 43.879 4.687 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 12 44.230 5.922 1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 12 43.795 7.162 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 12 44.240 8.052 0.317 1.00 0.00 H new ATOM 172 N ALA A 13 42.064 7.024 2.238 1.00 0.00 N ATOM 173 CA ALA A 13 40.763 7.300 2.865 1.00 0.00 C ATOM 174 C ALA A 13 39.607 7.465 1.884 1.00 0.00 C ATOM 175 O ALA A 13 39.405 8.536 1.307 1.00 0.00 O ATOM 176 CB ALA A 13 40.876 8.553 3.708 1.00 0.00 C ATOM 0 H ALA A 13 42.855 7.292 2.823 1.00 0.00 H new ATOM 0 HA ALA A 13 40.527 6.423 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 13 39.915 8.764 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 13 41.631 8.405 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 13 41.164 9.393 3.075 1.00 0.00 H new ATOM 182 N SER A 14 38.880 6.357 1.708 1.00 0.00 N ATOM 183 CA SER A 14 37.661 6.289 0.903 1.00 0.00 C ATOM 184 C SER A 14 37.789 7.018 -0.430 1.00 0.00 C ATOM 185 O SER A 14 37.391 8.178 -0.567 1.00 0.00 O ATOM 186 CB SER A 14 36.470 6.826 1.698 1.00 0.00 C ATOM 187 OG SER A 14 36.374 6.180 2.958 1.00 0.00 O ATOM 0 H SER A 14 39.130 5.464 2.132 1.00 0.00 H new ATOM 0 HA SER A 14 37.494 5.238 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 14 36.578 7.901 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 14 35.550 6.671 1.134 1.00 0.00 H new ATOM 0 HG SER A 14 35.607 6.539 3.452 1.00 0.00 H new ATOM 193 N GLY A 15 38.378 6.345 -1.400 1.00 0.00 N ATOM 194 CA GLY A 15 38.402 6.882 -2.743 1.00 0.00 C ATOM 195 C GLY A 15 39.577 6.396 -3.561 1.00 0.00 C ATOM 196 O GLY A 15 39.435 6.096 -4.744 1.00 0.00 O ATOM 0 H GLY A 15 38.838 5.442 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.477 6.611 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.430 7.970 -2.691 1.00 0.00 H new ATOM 200 N ARG A 16 40.744 6.332 -2.943 1.00 0.00 N ATOM 201 CA ARG A 16 41.949 5.942 -3.650 1.00 0.00 C ATOM 202 C ARG A 16 42.149 4.439 -3.507 1.00 0.00 C ATOM 203 O ARG A 16 41.342 3.775 -2.870 1.00 0.00 O ATOM 204 CB ARG A 16 43.159 6.719 -3.122 1.00 0.00 C ATOM 205 CG ARG A 16 43.009 8.242 -3.184 1.00 0.00 C ATOM 206 CD ARG A 16 42.091 8.792 -2.087 1.00 0.00 C ATOM 207 NE ARG A 16 41.851 10.228 -2.242 1.00 0.00 N ATOM 208 CZ ARG A 16 40.851 10.885 -1.648 1.00 0.00 C ATOM 209 NH1 ARG A 16 40.014 10.246 -0.839 1.00 0.00 N ATOM 210 NH2 ARG A 16 40.694 12.189 -1.858 1.00 0.00 N ATOM 0 H ARG A 16 40.881 6.545 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 16 41.846 6.183 -4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 16 43.341 6.426 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 16 44.040 6.429 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 16 43.992 8.704 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 16 42.612 8.524 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 16 41.140 8.261 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 16 42.538 8.602 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 16 42.485 10.758 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 16 40.133 9.247 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 16 39.253 10.754 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 16 41.337 12.688 -2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 16 39.930 12.690 -1.404 1.00 0.00 H new ATOM 224 N CYS A 17 43.217 3.908 -4.082 1.00 0.00 N ATOM 225 CA CYS A 17 43.470 2.473 -4.053 1.00 0.00 C ATOM 226 C CYS A 17 44.868 2.179 -4.571 1.00 0.00 C ATOM 227 O CYS A 17 45.099 2.129 -5.780 1.00 0.00 O ATOM 228 CB CYS A 17 42.428 1.711 -4.877 1.00 0.00 C ATOM 229 SG CYS A 17 41.291 0.699 -3.875 1.00 0.00 S ATOM 0 H CYS A 17 43.926 4.450 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 17 43.394 2.135 -3.019 1.00 0.00 H new ATOM 0 HB2 CYS A 17 41.846 2.426 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.943 1.065 -5.588 1.00 0.00 H new ATOM 234 N ILE A 18 45.802 2.029 -3.652 1.00 0.00 N ATOM 235 CA ILE A 18 47.181 1.765 -3.992 1.00 0.00 C ATOM 236 C ILE A 18 47.534 0.345 -3.545 1.00 0.00 C ATOM 237 O ILE A 18 46.927 -0.175 -2.616 1.00 0.00 O ATOM 238 CB ILE A 18 48.104 2.795 -3.293 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.483 2.320 -1.895 1.00 0.00 C ATOM 240 CG2 ILE A 18 47.392 4.141 -3.186 1.00 0.00 C ATOM 241 CD1 ILE A 18 49.449 3.237 -1.188 1.00 0.00 C ATOM 0 H ILE A 18 45.623 2.087 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 18 47.322 1.854 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 18 49.010 2.900 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 18 47.578 2.226 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 18 48.924 1.326 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.046 4.861 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 18 47.143 4.501 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 46.478 4.024 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.674 2.836 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.369 3.312 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 18 49.003 4.226 -1.086 1.00 0.00 H new ATOM 253 N PRO A 19 48.484 -0.323 -4.202 1.00 0.00 N ATOM 254 CA PRO A 19 48.921 -1.652 -3.773 1.00 0.00 C ATOM 255 C PRO A 19 49.631 -1.586 -2.420 1.00 0.00 C ATOM 256 O PRO A 19 50.340 -0.623 -2.132 1.00 0.00 O ATOM 257 CB PRO A 19 49.888 -2.099 -4.880 1.00 0.00 C ATOM 258 CG PRO A 19 49.651 -1.159 -6.019 1.00 0.00 C ATOM 259 CD PRO A 19 49.188 0.131 -5.406 1.00 0.00 C ATOM 0 HA PRO A 19 48.089 -2.343 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.923 -2.052 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 19 49.697 -3.131 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 19 50.563 -1.010 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 19 48.901 -1.557 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.023 0.788 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.530 0.685 -6.076 1.00 0.00 H new ATOM 267 N ILE A 20 49.438 -2.594 -1.579 1.00 0.00 N ATOM 268 CA ILE A 20 50.064 -2.598 -0.263 1.00 0.00 C ATOM 269 C ILE A 20 51.530 -2.998 -0.362 1.00 0.00 C ATOM 270 O ILE A 20 51.938 -4.076 0.064 1.00 0.00 O ATOM 271 CB ILE A 20 49.372 -3.534 0.730 1.00 0.00 C ATOM 272 CG1 ILE A 20 47.859 -3.379 0.646 1.00 0.00 C ATOM 273 CG2 ILE A 20 49.857 -3.251 2.149 1.00 0.00 C ATOM 274 CD1 ILE A 20 47.106 -4.178 1.683 1.00 0.00 C ATOM 0 H ILE A 20 48.860 -3.410 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 20 49.969 -1.578 0.110 1.00 0.00 H new ATOM 0 HB ILE A 20 49.627 -4.562 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 20 47.604 -2.325 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 20 47.526 -3.684 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 20 49.357 -3.924 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.934 -3.408 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 20 49.627 -2.219 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 20 46.035 -4.016 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 20 47.330 -5.238 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 20 47.409 -3.857 2.680 1.00 0.00 H new ATOM 286 N SER A 21 52.294 -2.137 -0.986 1.00 0.00 N ATOM 287 CA SER A 21 53.735 -2.257 -1.041 1.00 0.00 C ATOM 288 C SER A 21 54.289 -0.854 -1.057 1.00 0.00 C ATOM 289 O SER A 21 55.483 -0.637 -1.205 1.00 0.00 O ATOM 290 CB SER A 21 54.165 -3.020 -2.300 1.00 0.00 C ATOM 291 OG SER A 21 55.576 -3.112 -2.395 1.00 0.00 O ATOM 0 H SER A 21 51.931 -1.321 -1.478 1.00 0.00 H new ATOM 0 HA SER A 21 54.111 -2.814 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 21 53.734 -4.021 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 21 53.772 -2.517 -3.184 1.00 0.00 H new ATOM 0 HG SER A 21 55.986 -2.383 -1.884 1.00 0.00 H new ATOM 297 N TRP A 22 53.376 0.089 -0.880 1.00 0.00 N ATOM 298 CA TRP A 22 53.684 1.505 -1.087 1.00 0.00 C ATOM 299 C TRP A 22 53.731 2.283 0.216 1.00 0.00 C ATOM 300 O TRP A 22 54.522 3.203 0.368 1.00 0.00 O ATOM 301 CB TRP A 22 52.656 2.140 -2.025 1.00 0.00 C ATOM 302 CG TRP A 22 52.690 1.592 -3.419 1.00 0.00 C ATOM 303 CD1 TRP A 22 52.659 0.282 -3.782 1.00 0.00 C ATOM 304 CD2 TRP A 22 52.741 2.342 -4.634 1.00 0.00 C ATOM 305 NE1 TRP A 22 52.697 0.167 -5.143 1.00 0.00 N ATOM 306 CE2 TRP A 22 52.751 1.419 -5.694 1.00 0.00 C ATOM 307 CE3 TRP A 22 52.788 3.704 -4.928 1.00 0.00 C ATOM 308 CZ2 TRP A 22 52.801 1.814 -7.027 1.00 0.00 C ATOM 309 CZ3 TRP A 22 52.837 4.098 -6.252 1.00 0.00 C ATOM 310 CH2 TRP A 22 52.845 3.154 -7.289 1.00 0.00 C ATOM 0 H TRP A 22 52.415 -0.096 -0.594 1.00 0.00 H new ATOM 0 HA TRP A 22 54.676 1.551 -1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 22 51.659 1.991 -1.610 1.00 0.00 H new ATOM 0 HB3 TRP A 22 52.828 3.216 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 22 52.611 -0.549 -3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 22 52.687 -0.710 -5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 22 52.786 4.438 -4.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 52.805 1.087 -7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 52.870 5.151 -6.492 1.00 0.00 H new ATOM 0 HH2 TRP A 22 52.887 3.493 -8.314 1.00 0.00 H new ATOM 321 N THR A 23 52.887 1.895 1.151 1.00 0.00 N ATOM 322 CA THR A 23 52.747 2.616 2.413 1.00 0.00 C ATOM 323 C THR A 23 54.054 2.649 3.209 1.00 0.00 C ATOM 324 O THR A 23 54.232 3.469 4.100 1.00 0.00 O ATOM 325 CB THR A 23 51.643 1.974 3.278 1.00 0.00 C ATOM 326 OG1 THR A 23 51.990 0.614 3.591 1.00 0.00 O ATOM 327 CG2 THR A 23 50.311 1.984 2.545 1.00 0.00 C ATOM 0 H THR A 23 52.281 1.079 1.065 1.00 0.00 H new ATOM 0 HA THR A 23 52.477 3.642 2.163 1.00 0.00 H new ATOM 0 HB THR A 23 51.553 2.555 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 23 51.284 0.215 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.547 1.527 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.028 3.012 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.402 1.421 1.616 1.00 0.00 H new ATOM 335 N CYS A 24 54.892 1.659 2.967 1.00 0.00 N ATOM 336 CA CYS A 24 56.195 1.564 3.592 1.00 0.00 C ATOM 337 C CYS A 24 57.340 2.046 2.676 1.00 0.00 C ATOM 338 O CYS A 24 58.511 1.814 2.986 1.00 0.00 O ATOM 339 CB CYS A 24 56.434 0.125 4.045 1.00 0.00 C ATOM 340 SG CYS A 24 57.438 -0.016 5.556 1.00 0.00 S ATOM 0 H CYS A 24 54.685 0.893 2.326 1.00 0.00 H new ATOM 0 HA CYS A 24 56.197 2.231 4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 24 55.471 -0.357 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 24 56.927 -0.421 3.241 1.00 0.00 H new ATOM 345 N ASP A 25 57.011 2.696 1.555 1.00 0.00 N ATOM 346 CA ASP A 25 58.021 3.039 0.533 1.00 0.00 C ATOM 347 C ASP A 25 58.906 4.197 0.964 1.00 0.00 C ATOM 348 O ASP A 25 60.080 4.261 0.587 1.00 0.00 O ATOM 349 CB ASP A 25 57.368 3.430 -0.800 1.00 0.00 C ATOM 350 CG ASP A 25 57.050 2.251 -1.697 1.00 0.00 C ATOM 351 OD1 ASP A 25 57.751 1.216 -1.606 1.00 0.00 O ATOM 352 OD2 ASP A 25 56.106 2.365 -2.511 1.00 0.00 O ATOM 0 H ASP A 25 56.063 2.996 1.328 1.00 0.00 H new ATOM 0 HA ASP A 25 58.625 2.140 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.448 3.977 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 25 58.032 4.111 -1.333 1.00 0.00 H new ATOM 357 N LEU A 26 58.325 5.105 1.736 1.00 0.00 N ATOM 358 CA LEU A 26 58.938 6.389 2.062 1.00 0.00 C ATOM 359 C LEU A 26 58.958 7.270 0.815 1.00 0.00 C ATOM 360 O LEU A 26 59.753 8.206 0.709 1.00 0.00 O ATOM 361 CB LEU A 26 60.356 6.226 2.645 1.00 0.00 C ATOM 362 CG LEU A 26 60.419 5.588 4.035 1.00 0.00 C ATOM 363 CD1 LEU A 26 61.864 5.431 4.480 1.00 0.00 C ATOM 364 CD2 LEU A 26 59.639 6.419 5.042 1.00 0.00 C ATOM 0 H LEU A 26 57.406 4.971 2.158 1.00 0.00 H new ATOM 0 HA LEU A 26 58.338 6.867 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.947 5.621 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 60.828 7.208 2.691 1.00 0.00 H new ATOM 0 HG LEU A 26 59.963 4.599 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 61.892 4.976 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 26 62.395 4.794 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 26 62.342 6.410 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 26 59.696 5.949 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 26 60.065 7.421 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 26 58.596 6.484 4.731 1.00 0.00 H new ATOM 376 N ASP A 27 58.049 6.970 -0.116 1.00 0.00 N ATOM 377 CA ASP A 27 57.949 7.711 -1.371 1.00 0.00 C ATOM 378 C ASP A 27 56.557 8.338 -1.502 1.00 0.00 C ATOM 379 O ASP A 27 55.677 8.090 -0.681 1.00 0.00 O ATOM 380 CB ASP A 27 58.237 6.796 -2.571 1.00 0.00 C ATOM 381 CG ASP A 27 58.723 7.565 -3.790 1.00 0.00 C ATOM 382 OD1 ASP A 27 57.890 8.172 -4.500 1.00 0.00 O ATOM 383 OD2 ASP A 27 59.944 7.571 -4.041 1.00 0.00 O ATOM 0 H ASP A 27 57.370 6.215 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 27 58.696 8.505 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 27 58.988 6.058 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 27 57.332 6.247 -2.830 1.00 0.00 H new ATOM 388 N ASP A 28 56.358 9.111 -2.562 1.00 0.00 N ATOM 389 CA ASP A 28 55.191 9.984 -2.692 1.00 0.00 C ATOM 390 C ASP A 28 53.899 9.212 -2.965 1.00 0.00 C ATOM 391 O ASP A 28 53.608 8.851 -4.107 1.00 0.00 O ATOM 392 CB ASP A 28 55.440 10.999 -3.816 1.00 0.00 C ATOM 393 CG ASP A 28 54.330 12.020 -3.963 1.00 0.00 C ATOM 394 OD1 ASP A 28 54.331 13.010 -3.208 1.00 0.00 O ATOM 395 OD2 ASP A 28 53.470 11.845 -4.854 1.00 0.00 O ATOM 0 H ASP A 28 56.997 9.153 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 28 55.057 10.495 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.379 11.519 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.559 10.464 -4.758 1.00 0.00 H new ATOM 400 N ASP A 29 53.146 8.935 -1.905 1.00 0.00 N ATOM 401 CA ASP A 29 51.807 8.384 -2.028 1.00 0.00 C ATOM 402 C ASP A 29 50.873 9.125 -1.067 1.00 0.00 C ATOM 403 O ASP A 29 51.126 10.282 -0.723 1.00 0.00 O ATOM 404 CB ASP A 29 51.827 6.891 -1.699 1.00 0.00 C ATOM 405 CG ASP A 29 50.694 6.142 -2.365 1.00 0.00 C ATOM 406 OD1 ASP A 29 49.538 6.225 -1.874 1.00 0.00 O ATOM 407 OD2 ASP A 29 50.955 5.485 -3.390 1.00 0.00 O ATOM 0 H ASP A 29 53.448 9.086 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 29 51.449 8.509 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 29 52.778 6.464 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 29 51.762 6.758 -0.619 1.00 0.00 H new ATOM 412 N CYS A 30 49.795 8.477 -0.649 1.00 0.00 N ATOM 413 CA CYS A 30 48.936 9.016 0.382 1.00 0.00 C ATOM 414 C CYS A 30 48.734 7.989 1.470 1.00 0.00 C ATOM 415 O CYS A 30 48.826 8.317 2.653 1.00 0.00 O ATOM 416 CB CYS A 30 47.571 9.486 -0.163 1.00 0.00 C ATOM 417 SG CYS A 30 46.788 8.430 -1.453 1.00 0.00 S ATOM 0 H CYS A 30 49.498 7.572 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 30 49.435 9.896 0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 30 46.880 9.568 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 30 47.695 10.488 -0.573 1.00 0.00 H new ATOM 422 N GLY A 31 48.504 6.742 1.057 1.00 0.00 N ATOM 423 CA GLY A 31 48.089 5.698 1.975 1.00 0.00 C ATOM 424 C GLY A 31 46.815 6.071 2.702 1.00 0.00 C ATOM 425 O GLY A 31 45.735 5.604 2.376 1.00 0.00 O ATOM 0 H GLY A 31 48.600 6.437 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 47.937 4.769 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.882 5.514 2.700 1.00 0.00 H new ATOM 429 N ASP A 32 46.954 6.934 3.670 1.00 0.00 N ATOM 430 CA ASP A 32 45.821 7.505 4.380 1.00 0.00 C ATOM 431 C ASP A 32 46.206 8.905 4.794 1.00 0.00 C ATOM 432 O ASP A 32 46.283 9.217 5.976 1.00 0.00 O ATOM 433 CB ASP A 32 45.418 6.670 5.605 1.00 0.00 C ATOM 434 CG ASP A 32 44.231 7.270 6.347 1.00 0.00 C ATOM 435 OD1 ASP A 32 43.119 7.271 5.782 1.00 0.00 O ATOM 436 OD2 ASP A 32 44.419 7.757 7.488 1.00 0.00 O ATOM 0 H ASP A 32 47.860 7.270 3.998 1.00 0.00 H new ATOM 0 HA ASP A 32 44.951 7.515 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 32 45.171 5.657 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.267 6.592 6.284 1.00 0.00 H new ATOM 441 N ARG A 33 46.536 9.724 3.794 1.00 0.00 N ATOM 442 CA ARG A 33 47.071 11.068 4.018 1.00 0.00 C ATOM 443 C ARG A 33 48.508 10.989 4.559 1.00 0.00 C ATOM 444 O ARG A 33 49.371 11.780 4.181 1.00 0.00 O ATOM 445 CB ARG A 33 46.162 11.859 4.974 1.00 0.00 C ATOM 446 CG ARG A 33 46.924 12.606 6.053 1.00 0.00 C ATOM 447 CD ARG A 33 46.185 12.578 7.383 1.00 0.00 C ATOM 448 NE ARG A 33 45.803 11.214 7.753 1.00 0.00 N ATOM 449 CZ ARG A 33 46.150 10.613 8.887 1.00 0.00 C ATOM 450 NH1 ARG A 33 46.926 11.240 9.763 1.00 0.00 N ATOM 451 NH2 ARG A 33 45.741 9.372 9.129 1.00 0.00 N ATOM 0 H ARG A 33 46.440 9.476 2.809 1.00 0.00 H new ATOM 0 HA ARG A 33 47.096 11.597 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 33 45.573 12.572 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 33 45.459 11.172 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 33 47.912 12.161 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 33 47.076 13.640 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 33 46.818 13.004 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 33 45.294 13.202 7.319 1.00 0.00 H new ATOM 0 HE ARG A 33 45.230 10.687 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 33 47.257 12.185 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 33 47.191 10.777 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 33 45.163 8.883 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 33 46.006 8.908 9.998 1.00 0.00 H new ATOM 465 N SER A 34 48.745 10.041 5.455 1.00 0.00 N ATOM 466 CA SER A 34 50.063 9.802 6.008 1.00 0.00 C ATOM 467 C SER A 34 50.293 8.303 6.174 1.00 0.00 C ATOM 468 O SER A 34 50.182 7.756 7.275 1.00 0.00 O ATOM 469 CB SER A 34 50.215 10.526 7.349 1.00 0.00 C ATOM 470 OG SER A 34 49.896 11.901 7.213 1.00 0.00 O ATOM 0 H SER A 34 48.024 9.417 5.817 1.00 0.00 H new ATOM 0 HA SER A 34 50.814 10.195 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 34 49.562 10.068 8.092 1.00 0.00 H new ATOM 0 HB3 SER A 34 51.237 10.418 7.713 1.00 0.00 H new ATOM 0 HG SER A 34 49.997 12.348 8.079 1.00 0.00 H new ATOM 476 N ASP A 35 50.577 7.642 5.059 1.00 0.00 N ATOM 477 CA ASP A 35 50.863 6.206 5.048 1.00 0.00 C ATOM 478 C ASP A 35 52.252 5.932 5.589 1.00 0.00 C ATOM 479 O ASP A 35 52.578 4.811 5.995 1.00 0.00 O ATOM 480 CB ASP A 35 50.758 5.642 3.632 1.00 0.00 C ATOM 481 CG ASP A 35 51.645 6.364 2.635 1.00 0.00 C ATOM 482 OD1 ASP A 35 51.646 7.618 2.628 1.00 0.00 O ATOM 483 OD2 ASP A 35 52.325 5.679 1.858 1.00 0.00 O ATOM 0 H ASP A 35 50.616 8.080 4.139 1.00 0.00 H new ATOM 0 HA ASP A 35 50.125 5.718 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 35 51.025 4.585 3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 35 49.722 5.704 3.299 1.00 0.00 H new ATOM 488 N GLU A 36 53.041 6.981 5.668 1.00 0.00 N ATOM 489 CA GLU A 36 54.429 6.851 6.064 1.00 0.00 C ATOM 490 C GLU A 36 54.593 7.270 7.511 1.00 0.00 C ATOM 491 O GLU A 36 55.250 8.267 7.830 1.00 0.00 O ATOM 492 CB GLU A 36 55.339 7.694 5.165 1.00 0.00 C ATOM 493 CG GLU A 36 55.391 7.219 3.721 1.00 0.00 C ATOM 494 CD GLU A 36 55.988 5.830 3.577 1.00 0.00 C ATOM 495 OE1 GLU A 36 56.629 5.347 4.535 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.840 5.226 2.500 1.00 0.00 O ATOM 0 H GLU A 36 52.746 7.936 5.463 1.00 0.00 H new ATOM 0 HA GLU A 36 54.720 5.806 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 36 54.995 8.728 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.348 7.686 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 36 54.383 7.220 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 36 55.978 7.924 3.133 1.00 0.00 H new ATOM 503 N SER A 37 53.943 6.496 8.374 1.00 0.00 N ATOM 504 CA SER A 37 54.018 6.677 9.811 1.00 0.00 C ATOM 505 C SER A 37 53.193 5.608 10.523 1.00 0.00 C ATOM 506 O SER A 37 53.740 4.705 11.157 1.00 0.00 O ATOM 507 CB SER A 37 53.536 8.082 10.208 1.00 0.00 C ATOM 508 OG SER A 37 52.311 8.406 9.563 1.00 0.00 O ATOM 0 H SER A 37 53.346 5.720 8.089 1.00 0.00 H new ATOM 0 HA SER A 37 55.059 6.575 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 37 53.406 8.133 11.289 1.00 0.00 H new ATOM 0 HB3 SER A 37 54.295 8.818 9.944 1.00 0.00 H new ATOM 0 HG SER A 37 52.026 9.304 9.834 1.00 0.00 H new ATOM 514 N ALA A 38 51.876 5.689 10.382 1.00 0.00 N ATOM 515 CA ALA A 38 50.974 4.817 11.121 1.00 0.00 C ATOM 516 C ALA A 38 50.405 3.700 10.251 1.00 0.00 C ATOM 517 O ALA A 38 49.458 3.024 10.646 1.00 0.00 O ATOM 518 CB ALA A 38 49.844 5.639 11.724 1.00 0.00 C ATOM 0 H ALA A 38 51.409 6.351 9.762 1.00 0.00 H new ATOM 0 HA ALA A 38 51.552 4.343 11.915 1.00 0.00 H new ATOM 0 HB1 ALA A 38 49.171 4.983 12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 38 50.259 6.386 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 38 49.292 6.138 10.928 1.00 0.00 H new ATOM 524 N SER A 39 50.980 3.491 9.075 1.00 0.00 N ATOM 525 CA SER A 39 50.477 2.452 8.187 1.00 0.00 C ATOM 526 C SER A 39 51.421 1.252 8.110 1.00 0.00 C ATOM 527 O SER A 39 50.969 0.111 8.139 1.00 0.00 O ATOM 528 CB SER A 39 50.222 3.019 6.794 1.00 0.00 C ATOM 529 OG SER A 39 49.340 4.128 6.854 1.00 0.00 O ATOM 0 H SER A 39 51.779 4.015 8.718 1.00 0.00 H new ATOM 0 HA SER A 39 49.535 2.097 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 39 51.166 3.324 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 39 49.798 2.246 6.154 1.00 0.00 H new ATOM 0 HG SER A 39 48.715 4.090 6.100 1.00 0.00 H new ATOM 535 N CYS A 40 52.726 1.491 8.007 1.00 0.00 N ATOM 536 CA CYS A 40 53.671 0.381 7.938 1.00 0.00 C ATOM 537 C CYS A 40 54.137 -0.047 9.326 1.00 0.00 C ATOM 538 O CYS A 40 54.451 -1.221 9.536 1.00 0.00 O ATOM 539 CB CYS A 40 54.884 0.729 7.067 1.00 0.00 C ATOM 540 SG CYS A 40 56.116 -0.617 6.973 1.00 0.00 S ATOM 0 H CYS A 40 53.146 2.420 7.970 1.00 0.00 H new ATOM 0 HA CYS A 40 53.141 -0.453 7.479 1.00 0.00 H new ATOM 0 HB2 CYS A 40 54.543 0.971 6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 40 55.363 1.624 7.464 1.00 0.00 H new ATOM 545 N ALA A 41 54.196 0.915 10.263 1.00 0.00 N ATOM 546 CA ALA A 41 54.701 0.687 11.632 1.00 0.00 C ATOM 547 C ALA A 41 56.213 0.451 11.640 1.00 0.00 C ATOM 548 O ALA A 41 56.894 0.751 12.616 1.00 0.00 O ATOM 549 CB ALA A 41 53.965 -0.463 12.314 1.00 0.00 C ATOM 0 H ALA A 41 53.895 1.875 10.094 1.00 0.00 H new ATOM 0 HA ALA A 41 54.504 1.594 12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.362 -0.603 13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 41 52.902 -0.231 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 41 54.105 -1.377 11.738 1.00 0.00 H new ATOM 555 N TYR A 42 56.704 -0.080 10.531 1.00 0.00 N ATOM 556 CA TYR A 42 58.127 -0.284 10.281 1.00 0.00 C ATOM 557 C TYR A 42 58.776 -1.207 11.312 1.00 0.00 C ATOM 558 O TYR A 42 59.632 -0.779 12.081 1.00 0.00 O ATOM 559 CB TYR A 42 58.879 1.048 10.246 1.00 0.00 C ATOM 560 CG TYR A 42 58.236 2.102 9.370 1.00 0.00 C ATOM 561 CD1 TYR A 42 58.289 2.024 7.983 1.00 0.00 C ATOM 562 CD2 TYR A 42 57.581 3.181 9.941 1.00 0.00 C ATOM 563 CE1 TYR A 42 57.702 2.998 7.189 1.00 0.00 C ATOM 564 CE2 TYR A 42 56.995 4.152 9.163 1.00 0.00 C ATOM 565 CZ TYR A 42 57.061 4.059 7.792 1.00 0.00 C ATOM 566 OH TYR A 42 56.476 5.032 7.034 1.00 0.00 O ATOM 0 H TYR A 42 56.112 -0.389 9.760 1.00 0.00 H new ATOM 0 HA TYR A 42 58.197 -0.766 9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 42 58.957 1.435 11.262 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.895 0.869 9.894 1.00 0.00 H new ATOM 0 HD1 TYR A 42 58.795 1.192 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 42 57.530 3.261 11.017 1.00 0.00 H new ATOM 0 HE1 TYR A 42 57.747 2.926 6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 42 56.485 4.984 9.626 1.00 0.00 H new ATOM 0 HH TYR A 42 56.953 5.114 6.182 1.00 0.00 H new ATOM 576 N PRO A 43 58.390 -2.494 11.345 1.00 0.00 N ATOM 577 CA PRO A 43 59.084 -3.489 12.161 1.00 0.00 C ATOM 578 C PRO A 43 60.456 -3.764 11.578 1.00 0.00 C ATOM 579 O PRO A 43 61.401 -4.119 12.278 1.00 0.00 O ATOM 580 CB PRO A 43 58.195 -4.738 12.072 1.00 0.00 C ATOM 581 CG PRO A 43 56.912 -4.278 11.458 1.00 0.00 C ATOM 582 CD PRO A 43 57.259 -3.085 10.617 1.00 0.00 C ATOM 0 HA PRO A 43 59.237 -3.166 13.191 1.00 0.00 H new ATOM 0 HB2 PRO A 43 58.665 -5.511 11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 43 58.025 -5.169 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 43 56.465 -5.066 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 43 56.184 -4.015 12.226 1.00 0.00 H new ATOM 0 HD2 PRO A 43 57.536 -3.372 9.602 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.423 -2.390 10.535 1.00 0.00 H new ATOM 590 N THR A 44 60.534 -3.601 10.269 1.00 0.00 N ATOM 591 CA THR A 44 61.775 -3.729 9.534 1.00 0.00 C ATOM 592 C THR A 44 61.655 -2.936 8.234 1.00 0.00 C ATOM 593 O THR A 44 62.461 -3.056 7.313 1.00 0.00 O ATOM 594 CB THR A 44 62.064 -5.203 9.210 1.00 0.00 C ATOM 595 OG1 THR A 44 61.809 -6.032 10.354 1.00 0.00 O ATOM 596 CG2 THR A 44 63.500 -5.356 8.789 1.00 0.00 C ATOM 0 H THR A 44 59.730 -3.374 9.684 1.00 0.00 H new ATOM 0 HA THR A 44 62.594 -3.344 10.141 1.00 0.00 H new ATOM 0 HB THR A 44 61.407 -5.515 8.398 1.00 0.00 H new ATOM 0 HG1 THR A 44 61.997 -6.967 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.702 -6.402 8.560 1.00 0.00 H new ATOM 0 HG22 THR A 44 63.686 -4.748 7.904 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.153 -5.029 9.598 1.00 0.00 H new ATOM 604 N CYS A 45 60.629 -2.100 8.208 1.00 0.00 N ATOM 605 CA CYS A 45 60.150 -1.448 6.987 1.00 0.00 C ATOM 606 C CYS A 45 59.740 -2.484 5.954 1.00 0.00 C ATOM 607 O CYS A 45 59.590 -2.173 4.780 1.00 0.00 O ATOM 608 CB CYS A 45 61.198 -0.506 6.393 1.00 0.00 C ATOM 609 SG CYS A 45 61.615 0.900 7.468 1.00 0.00 S ATOM 0 H CYS A 45 60.096 -1.849 9.040 1.00 0.00 H new ATOM 0 HA CYS A 45 59.281 -0.850 7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 45 62.105 -1.073 6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 45 60.832 -0.126 5.439 1.00 0.00 H new ATOM 614 N PHE A 46 59.534 -3.712 6.406 1.00 0.00 N ATOM 615 CA PHE A 46 59.167 -4.794 5.515 1.00 0.00 C ATOM 616 C PHE A 46 58.139 -5.723 6.161 1.00 0.00 C ATOM 617 O PHE A 46 58.490 -6.719 6.788 1.00 0.00 O ATOM 618 CB PHE A 46 60.419 -5.572 5.080 1.00 0.00 C ATOM 619 CG PHE A 46 60.121 -6.851 4.348 1.00 0.00 C ATOM 620 CD1 PHE A 46 59.013 -6.945 3.531 1.00 0.00 C ATOM 621 CD2 PHE A 46 60.936 -7.957 4.495 1.00 0.00 C ATOM 622 CE1 PHE A 46 58.715 -8.112 2.872 1.00 0.00 C ATOM 623 CE2 PHE A 46 60.651 -9.136 3.833 1.00 0.00 C ATOM 624 CZ PHE A 46 59.535 -9.215 3.019 1.00 0.00 C ATOM 0 H PHE A 46 59.616 -3.981 7.387 1.00 0.00 H new ATOM 0 HA PHE A 46 58.702 -4.363 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 46 61.027 -4.933 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 46 61.017 -5.801 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 46 58.370 -6.086 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 46 61.805 -7.899 5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 46 57.841 -8.168 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 46 61.297 -9.993 3.951 1.00 0.00 H new ATOM 0 HZ PHE A 46 59.306 -10.134 2.501 1.00 0.00 H new ATOM 634 N PRO A 47 56.856 -5.358 6.076 1.00 0.00 N ATOM 635 CA PRO A 47 55.753 -6.249 6.384 1.00 0.00 C ATOM 636 C PRO A 47 55.046 -6.758 5.121 1.00 0.00 C ATOM 637 O PRO A 47 54.068 -7.498 5.203 1.00 0.00 O ATOM 638 CB PRO A 47 54.831 -5.319 7.174 1.00 0.00 C ATOM 639 CG PRO A 47 55.092 -3.941 6.628 1.00 0.00 C ATOM 640 CD PRO A 47 56.357 -4.010 5.793 1.00 0.00 C ATOM 0 HA PRO A 47 56.061 -7.152 6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 47 53.786 -5.601 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 47 55.046 -5.366 8.242 1.00 0.00 H new ATOM 0 HG2 PRO A 47 54.251 -3.604 6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 47 55.208 -3.223 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 47 56.150 -3.869 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 47 57.076 -3.243 6.082 1.00 0.00 H new ATOM 648 N LEU A 48 55.549 -6.355 3.953 1.00 0.00 N ATOM 649 CA LEU A 48 54.862 -6.609 2.686 1.00 0.00 C ATOM 650 C LEU A 48 55.829 -7.193 1.663 1.00 0.00 C ATOM 651 O LEU A 48 55.809 -8.390 1.379 1.00 0.00 O ATOM 652 CB LEU A 48 54.279 -5.294 2.143 1.00 0.00 C ATOM 653 CG LEU A 48 53.905 -4.280 3.218 1.00 0.00 C ATOM 654 CD1 LEU A 48 53.775 -2.881 2.629 1.00 0.00 C ATOM 655 CD2 LEU A 48 52.612 -4.682 3.908 1.00 0.00 C ATOM 0 H LEU A 48 56.431 -5.851 3.858 1.00 0.00 H new ATOM 0 HA LEU A 48 54.059 -7.325 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 48 55.005 -4.840 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.393 -5.521 1.551 1.00 0.00 H new ATOM 0 HG LEU A 48 54.706 -4.267 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 53.508 -2.178 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 54.725 -2.584 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 48 53.000 -2.879 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 48 52.363 -3.945 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 48 51.808 -4.730 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 48 52.737 -5.659 4.374 1.00 0.00 H new ATOM 667 N THR A 49 56.689 -6.327 1.131 1.00 0.00 N ATOM 668 CA THR A 49 57.683 -6.708 0.141 1.00 0.00 C ATOM 669 C THR A 49 58.602 -5.505 -0.122 1.00 0.00 C ATOM 670 O THR A 49 58.377 -4.685 -1.016 1.00 0.00 O ATOM 671 CB THR A 49 57.006 -7.254 -1.150 1.00 0.00 C ATOM 672 OG1 THR A 49 57.988 -7.665 -2.101 1.00 0.00 O ATOM 673 CG2 THR A 49 56.060 -6.234 -1.778 1.00 0.00 C ATOM 0 H THR A 49 56.713 -5.338 1.378 1.00 0.00 H new ATOM 0 HA THR A 49 58.297 -7.526 0.518 1.00 0.00 H new ATOM 0 HB THR A 49 56.411 -8.119 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 49 57.589 -7.686 -2.996 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.611 -6.659 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 49 55.275 -5.979 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 49 56.617 -5.335 -2.042 1.00 0.00 H new ATOM 681 N GLN A 50 59.624 -5.378 0.723 1.00 0.00 N ATOM 682 CA GLN A 50 60.425 -4.158 0.792 1.00 0.00 C ATOM 683 C GLN A 50 61.907 -4.484 0.990 1.00 0.00 C ATOM 684 O GLN A 50 62.295 -5.646 1.091 1.00 0.00 O ATOM 685 CB GLN A 50 59.964 -3.307 1.984 1.00 0.00 C ATOM 686 CG GLN A 50 58.454 -3.169 2.136 1.00 0.00 C ATOM 687 CD GLN A 50 57.874 -1.995 1.381 1.00 0.00 C ATOM 688 OE1 GLN A 50 56.727 -2.042 0.943 1.00 0.00 O ATOM 689 NE2 GLN A 50 58.648 -0.931 1.252 1.00 0.00 N ATOM 0 H GLN A 50 59.917 -6.109 1.372 1.00 0.00 H new ATOM 0 HA GLN A 50 60.294 -3.618 -0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.367 -3.742 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.396 -2.311 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 50 57.977 -4.085 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 50 58.212 -3.065 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.594 -0.939 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.299 -0.102 0.772 1.00 0.00 H new ATOM 698 N PHE A 51 62.721 -3.437 1.049 1.00 0.00 N ATOM 699 CA PHE A 51 64.121 -3.549 1.448 1.00 0.00 C ATOM 700 C PHE A 51 64.458 -2.393 2.386 1.00 0.00 C ATOM 701 O PHE A 51 63.771 -1.375 2.383 1.00 0.00 O ATOM 702 CB PHE A 51 65.047 -3.534 0.226 1.00 0.00 C ATOM 703 CG PHE A 51 66.501 -3.795 0.545 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.919 -5.060 0.924 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.450 -2.781 0.454 1.00 0.00 C ATOM 706 CE1 PHE A 51 68.247 -5.309 1.209 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.776 -3.026 0.738 1.00 0.00 C ATOM 708 CZ PHE A 51 69.176 -4.290 1.119 1.00 0.00 C ATOM 0 H PHE A 51 62.430 -2.486 0.822 1.00 0.00 H new ATOM 0 HA PHE A 51 64.272 -4.499 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.703 -4.285 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.963 -2.565 -0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 51 66.198 -5.861 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 51 67.143 -1.789 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 51 68.560 -6.300 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.501 -2.229 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 51 70.214 -4.483 1.347 1.00 0.00 H new ATOM 718 N THR A 52 65.493 -2.547 3.192 1.00 0.00 N ATOM 719 CA THR A 52 65.868 -1.519 4.138 1.00 0.00 C ATOM 720 C THR A 52 67.222 -0.915 3.773 1.00 0.00 C ATOM 721 O THR A 52 68.249 -1.588 3.869 1.00 0.00 O ATOM 722 CB THR A 52 65.935 -2.103 5.559 1.00 0.00 C ATOM 723 OG1 THR A 52 64.831 -2.998 5.763 1.00 0.00 O ATOM 724 CG2 THR A 52 65.889 -0.998 6.601 1.00 0.00 C ATOM 0 H THR A 52 66.087 -3.376 3.208 1.00 0.00 H new ATOM 0 HA THR A 52 65.111 -0.735 4.103 1.00 0.00 H new ATOM 0 HB THR A 52 66.876 -2.643 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 52 64.202 -2.601 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 52 65.938 -1.436 7.598 1.00 0.00 H new ATOM 0 HG22 THR A 52 66.736 -0.327 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 52 64.960 -0.437 6.496 1.00 0.00 H new ATOM 732 N CYS A 53 67.214 0.336 3.312 1.00 0.00 N ATOM 733 CA CYS A 53 68.459 1.062 3.053 1.00 0.00 C ATOM 734 C CYS A 53 69.361 1.049 4.286 1.00 0.00 C ATOM 735 O CYS A 53 68.910 1.342 5.393 1.00 0.00 O ATOM 736 CB CYS A 53 68.157 2.498 2.673 1.00 0.00 C ATOM 737 SG CYS A 53 66.853 2.665 1.420 1.00 0.00 S ATOM 0 H CYS A 53 66.366 0.865 3.111 1.00 0.00 H new ATOM 0 HA CYS A 53 68.974 0.565 2.231 1.00 0.00 H new ATOM 0 HB2 CYS A 53 67.861 3.046 3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 53 69.069 2.965 2.300 1.00 0.00 H new ATOM 742 N ASN A 54 70.639 0.739 4.093 1.00 0.00 N ATOM 743 CA ASN A 54 71.560 0.592 5.220 1.00 0.00 C ATOM 744 C ASN A 54 71.927 1.948 5.814 1.00 0.00 C ATOM 745 O ASN A 54 72.405 2.026 6.943 1.00 0.00 O ATOM 746 CB ASN A 54 72.831 -0.172 4.824 1.00 0.00 C ATOM 747 CG ASN A 54 73.806 0.662 4.017 1.00 0.00 C ATOM 748 OD1 ASN A 54 74.660 1.353 4.570 1.00 0.00 O ATOM 749 ND2 ASN A 54 73.703 0.581 2.709 1.00 0.00 N ATOM 0 H ASN A 54 71.060 0.585 3.177 1.00 0.00 H new ATOM 0 HA ASN A 54 71.039 0.008 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 54 73.328 -0.528 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 54 72.552 -1.053 4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 54 74.346 1.103 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 54 72.980 -0.004 2.290 1.00 0.00 H new ATOM 756 N ASN A 55 71.688 3.018 5.057 1.00 0.00 N ATOM 757 CA ASN A 55 71.988 4.362 5.530 1.00 0.00 C ATOM 758 C ASN A 55 70.863 4.892 6.426 1.00 0.00 C ATOM 759 O ASN A 55 70.854 6.059 6.813 1.00 0.00 O ATOM 760 CB ASN A 55 72.233 5.304 4.346 1.00 0.00 C ATOM 761 CG ASN A 55 72.859 6.625 4.754 1.00 0.00 C ATOM 762 OD1 ASN A 55 73.632 6.698 5.709 1.00 0.00 O ATOM 763 ND2 ASN A 55 72.536 7.678 4.020 1.00 0.00 N ATOM 0 H ASN A 55 71.290 2.978 4.119 1.00 0.00 H new ATOM 0 HA ASN A 55 72.898 4.318 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 55 72.883 4.809 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 55 71.286 5.498 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 55 72.932 8.592 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 55 71.891 7.575 3.236 1.00 0.00 H new ATOM 770 N GLY A 56 69.911 4.024 6.753 1.00 0.00 N ATOM 771 CA GLY A 56 68.866 4.393 7.686 1.00 0.00 C ATOM 772 C GLY A 56 67.503 4.536 7.035 1.00 0.00 C ATOM 773 O GLY A 56 66.500 4.711 7.724 1.00 0.00 O ATOM 0 H GLY A 56 69.846 3.074 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.808 3.640 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 56 69.133 5.335 8.165 1.00 0.00 H new ATOM 777 N ARG A 57 67.458 4.474 5.711 1.00 0.00 N ATOM 778 CA ARG A 57 66.196 4.599 4.995 1.00 0.00 C ATOM 779 C ARG A 57 65.555 3.234 4.795 1.00 0.00 C ATOM 780 O ARG A 57 66.076 2.213 5.237 1.00 0.00 O ATOM 781 CB ARG A 57 66.419 5.236 3.627 1.00 0.00 C ATOM 782 CG ARG A 57 67.197 6.532 3.662 1.00 0.00 C ATOM 783 CD ARG A 57 67.870 6.782 2.325 1.00 0.00 C ATOM 784 NE ARG A 57 66.900 7.084 1.271 1.00 0.00 N ATOM 785 CZ ARG A 57 67.207 7.169 -0.023 1.00 0.00 C ATOM 786 NH1 ARG A 57 68.459 6.985 -0.421 1.00 0.00 N ATOM 787 NH2 ARG A 57 66.263 7.431 -0.919 1.00 0.00 N ATOM 0 H ARG A 57 68.274 4.339 5.115 1.00 0.00 H new ATOM 0 HA ARG A 57 65.537 5.229 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 57 66.947 4.526 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 57 65.450 5.420 3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 57 66.528 7.359 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 57 67.947 6.492 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 57 68.571 7.611 2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 57 68.451 5.905 2.042 1.00 0.00 H new ATOM 0 HE ARG A 57 65.929 7.239 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 57 69.187 6.778 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 57 68.694 7.050 -1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 57 65.298 7.568 -0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 57 66.503 7.495 -1.908 1.00 0.00 H new ATOM 801 N CYS A 58 64.430 3.231 4.109 1.00 0.00 N ATOM 802 CA CYS A 58 63.749 2.011 3.739 1.00 0.00 C ATOM 803 C CYS A 58 63.222 2.169 2.319 1.00 0.00 C ATOM 804 O CYS A 58 62.802 3.261 1.942 1.00 0.00 O ATOM 805 CB CYS A 58 62.606 1.743 4.717 1.00 0.00 C ATOM 806 SG CYS A 58 63.124 1.805 6.468 1.00 0.00 S ATOM 0 H CYS A 58 63.962 4.080 3.792 1.00 0.00 H new ATOM 0 HA CYS A 58 64.433 1.163 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.817 2.477 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 58 62.179 0.763 4.506 1.00 0.00 H new ATOM 811 N ILE A 59 63.262 1.109 1.525 1.00 0.00 N ATOM 812 CA ILE A 59 62.834 1.204 0.138 1.00 0.00 C ATOM 813 C ILE A 59 61.846 0.118 -0.236 1.00 0.00 C ATOM 814 O ILE A 59 61.460 -0.715 0.587 1.00 0.00 O ATOM 815 CB ILE A 59 63.992 1.102 -0.868 1.00 0.00 C ATOM 816 CG1 ILE A 59 64.902 -0.077 -0.519 1.00 0.00 C ATOM 817 CG2 ILE A 59 64.766 2.401 -0.938 1.00 0.00 C ATOM 818 CD1 ILE A 59 65.683 -0.607 -1.698 1.00 0.00 C ATOM 0 H ILE A 59 63.582 0.184 1.813 1.00 0.00 H new ATOM 0 HA ILE A 59 62.374 2.190 0.077 1.00 0.00 H new ATOM 0 HB ILE A 59 63.574 0.920 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.600 0.231 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.296 -0.882 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 59 65.579 2.302 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 59 64.100 3.205 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 59 65.177 2.633 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.306 -1.441 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 59 64.992 -0.947 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 59 66.316 0.184 -2.101 1.00 0.00 H new ATOM 830 N ASN A 60 61.479 0.128 -1.508 1.00 0.00 N ATOM 831 CA ASN A 60 60.633 -0.898 -2.088 1.00 0.00 C ATOM 832 C ASN A 60 61.507 -2.068 -2.529 1.00 0.00 C ATOM 833 O ASN A 60 62.708 -1.902 -2.732 1.00 0.00 O ATOM 834 CB ASN A 60 59.869 -0.326 -3.287 1.00 0.00 C ATOM 835 CG ASN A 60 58.737 -1.223 -3.745 1.00 0.00 C ATOM 836 OD1 ASN A 60 58.936 -2.133 -4.551 1.00 0.00 O ATOM 837 ND2 ASN A 60 57.542 -0.954 -3.253 1.00 0.00 N ATOM 0 H ASN A 60 61.762 0.852 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 60 59.910 -1.243 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 60 59.467 0.652 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.562 -0.173 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 60 56.736 -1.510 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 60 57.425 -0.190 -2.587 1.00 0.00 H new ATOM 844 N ILE A 61 60.920 -3.242 -2.687 1.00 0.00 N ATOM 845 CA ILE A 61 61.692 -4.432 -3.023 1.00 0.00 C ATOM 846 C ILE A 61 62.007 -4.480 -4.527 1.00 0.00 C ATOM 847 O ILE A 61 62.903 -5.200 -4.963 1.00 0.00 O ATOM 848 CB ILE A 61 60.930 -5.708 -2.570 1.00 0.00 C ATOM 849 CG1 ILE A 61 61.889 -6.786 -2.026 1.00 0.00 C ATOM 850 CG2 ILE A 61 60.077 -6.272 -3.698 1.00 0.00 C ATOM 851 CD1 ILE A 61 62.755 -7.463 -3.072 1.00 0.00 C ATOM 0 H ILE A 61 59.917 -3.399 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 61 62.642 -4.390 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 61 60.269 -5.411 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.538 -6.329 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.301 -7.548 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 59.557 -7.164 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 61 59.347 -5.525 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 61 60.716 -6.531 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.394 -8.204 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.119 -7.955 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.375 -6.717 -3.569 1.00 0.00 H new ATOM 863 N ASN A 62 61.314 -3.666 -5.306 1.00 0.00 N ATOM 864 CA ASN A 62 61.434 -3.714 -6.763 1.00 0.00 C ATOM 865 C ASN A 62 62.618 -2.892 -7.263 1.00 0.00 C ATOM 866 O ASN A 62 62.665 -2.504 -8.428 1.00 0.00 O ATOM 867 CB ASN A 62 60.144 -3.226 -7.427 1.00 0.00 C ATOM 868 CG ASN A 62 59.004 -4.222 -7.301 1.00 0.00 C ATOM 869 OD1 ASN A 62 58.835 -5.098 -8.145 1.00 0.00 O ATOM 870 ND2 ASN A 62 58.201 -4.084 -6.256 1.00 0.00 N ATOM 0 H ASN A 62 60.662 -2.963 -4.959 1.00 0.00 H new ATOM 0 HA ASN A 62 61.608 -4.755 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 62 59.845 -2.279 -6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 62 60.335 -3.031 -8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 62 57.411 -4.718 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 62 58.373 -3.344 -5.575 1.00 0.00 H new ATOM 877 N TRP A 63 63.579 -2.637 -6.384 1.00 0.00 N ATOM 878 CA TRP A 63 64.799 -1.929 -6.766 1.00 0.00 C ATOM 879 C TRP A 63 65.973 -2.916 -6.791 1.00 0.00 C ATOM 880 O TRP A 63 67.142 -2.545 -7.002 1.00 0.00 O ATOM 881 CB TRP A 63 65.077 -0.771 -5.795 1.00 0.00 C ATOM 882 CG TRP A 63 64.070 0.350 -5.861 1.00 0.00 C ATOM 883 CD1 TRP A 63 62.822 0.319 -6.422 1.00 0.00 C ATOM 884 CD2 TRP A 63 64.236 1.674 -5.341 1.00 0.00 C ATOM 885 NE1 TRP A 63 62.208 1.540 -6.280 1.00 0.00 N ATOM 886 CE2 TRP A 63 63.056 2.386 -5.623 1.00 0.00 C ATOM 887 CE3 TRP A 63 65.266 2.325 -4.663 1.00 0.00 C ATOM 888 CZ2 TRP A 63 62.882 3.716 -5.253 1.00 0.00 C ATOM 889 CZ3 TRP A 63 65.091 3.646 -4.297 1.00 0.00 C ATOM 890 CH2 TRP A 63 63.908 4.328 -4.592 1.00 0.00 C ATOM 0 H TRP A 63 63.539 -2.909 -5.402 1.00 0.00 H new ATOM 0 HA TRP A 63 64.672 -1.504 -7.762 1.00 0.00 H new ATOM 0 HB2 TRP A 63 65.101 -1.163 -4.778 1.00 0.00 H new ATOM 0 HB3 TRP A 63 66.067 -0.367 -6.004 1.00 0.00 H new ATOM 0 HD1 TRP A 63 62.383 -0.541 -6.906 1.00 0.00 H new ATOM 0 HE1 TRP A 63 61.272 1.776 -6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 63 66.184 1.806 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 61.968 4.245 -5.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 65.883 4.161 -3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 63 63.803 5.360 -4.291 1.00 0.00 H new ATOM 901 N ARG A 64 65.633 -4.184 -6.559 1.00 0.00 N ATOM 902 CA ARG A 64 66.587 -5.277 -6.633 1.00 0.00 C ATOM 903 C ARG A 64 66.996 -5.475 -8.087 1.00 0.00 C ATOM 904 O ARG A 64 66.329 -6.188 -8.834 1.00 0.00 O ATOM 905 CB ARG A 64 65.956 -6.563 -6.078 1.00 0.00 C ATOM 906 CG ARG A 64 66.906 -7.751 -6.007 1.00 0.00 C ATOM 907 CD ARG A 64 67.767 -7.710 -4.755 1.00 0.00 C ATOM 908 NE ARG A 64 68.833 -8.711 -4.789 1.00 0.00 N ATOM 909 CZ ARG A 64 69.313 -9.327 -3.711 1.00 0.00 C ATOM 910 NH1 ARG A 64 68.723 -9.170 -2.532 1.00 0.00 N ATOM 911 NH2 ARG A 64 70.387 -10.099 -3.815 1.00 0.00 N ATOM 0 H ARG A 64 64.687 -4.476 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 64 67.467 -5.040 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 64 65.570 -6.362 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 64 65.103 -6.832 -6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 64 66.332 -8.677 -6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 64 67.547 -7.758 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 64 68.205 -6.718 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 64 67.141 -7.877 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 64 69.234 -8.952 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 64 67.898 -8.575 -2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 64 69.094 -9.644 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 64 70.843 -10.219 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 64 70.757 -10.572 -2.990 1.00 0.00 H new ATOM 925 N CYS A 65 68.061 -4.809 -8.486 1.00 0.00 N ATOM 926 CA CYS A 65 68.473 -4.811 -9.879 1.00 0.00 C ATOM 927 C CYS A 65 69.378 -5.985 -10.209 1.00 0.00 C ATOM 928 O CYS A 65 68.926 -7.051 -10.631 1.00 0.00 O ATOM 929 CB CYS A 65 69.187 -3.503 -10.226 1.00 0.00 C ATOM 930 SG CYS A 65 68.125 -2.027 -10.208 1.00 0.00 S ATOM 0 H CYS A 65 68.658 -4.259 -7.868 1.00 0.00 H new ATOM 0 HA CYS A 65 67.567 -4.908 -10.478 1.00 0.00 H new ATOM 0 HB2 CYS A 65 70.005 -3.354 -9.521 1.00 0.00 H new ATOM 0 HB3 CYS A 65 69.633 -3.600 -11.216 1.00 0.00 H new ATOM 0 HG CYS A 65 67.570 -1.906 -9.039 1.00 0.00 H new ATOM 935 N ASP A 66 70.654 -5.768 -10.000 1.00 0.00 N ATOM 936 CA ASP A 66 71.690 -6.684 -10.434 1.00 0.00 C ATOM 937 C ASP A 66 72.309 -7.431 -9.260 1.00 0.00 C ATOM 938 O ASP A 66 72.318 -8.664 -9.243 1.00 0.00 O ATOM 939 CB ASP A 66 72.756 -5.909 -11.225 1.00 0.00 C ATOM 940 CG ASP A 66 73.257 -4.657 -10.514 1.00 0.00 C ATOM 941 OD1 ASP A 66 72.452 -3.987 -9.817 1.00 0.00 O ATOM 942 OD2 ASP A 66 74.452 -4.332 -10.670 1.00 0.00 O ATOM 0 H ASP A 66 71.010 -4.942 -9.519 1.00 0.00 H new ATOM 0 HA ASP A 66 71.241 -7.437 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 66 73.602 -6.568 -11.420 1.00 0.00 H new ATOM 0 HB3 ASP A 66 72.343 -5.626 -12.193 1.00 0.00 H new ATOM 947 N ASN A 67 72.815 -6.699 -8.280 1.00 0.00 N ATOM 948 CA ASN A 67 73.410 -7.322 -7.114 1.00 0.00 C ATOM 949 C ASN A 67 72.350 -7.547 -6.057 1.00 0.00 C ATOM 950 O ASN A 67 71.892 -8.674 -5.840 1.00 0.00 O ATOM 951 CB ASN A 67 74.544 -6.473 -6.528 1.00 0.00 C ATOM 952 CG ASN A 67 75.634 -6.166 -7.531 1.00 0.00 C ATOM 953 OD1 ASN A 67 76.576 -6.944 -7.709 1.00 0.00 O ATOM 954 ND2 ASN A 67 75.526 -5.019 -8.178 1.00 0.00 N ATOM 0 H ASN A 67 72.825 -5.679 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 67 73.834 -8.275 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 67 74.132 -5.537 -6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 67 74.979 -6.996 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 67 76.238 -4.747 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 67 74.730 -4.406 -8.000 1.00 0.00 H new ATOM 961 N ASP A 68 71.941 -6.461 -5.426 1.00 0.00 N ATOM 962 CA ASP A 68 70.944 -6.504 -4.375 1.00 0.00 C ATOM 963 C ASP A 68 69.926 -5.381 -4.600 1.00 0.00 C ATOM 964 O ASP A 68 69.628 -5.010 -5.743 1.00 0.00 O ATOM 965 CB ASP A 68 71.610 -6.376 -2.992 1.00 0.00 C ATOM 966 CG ASP A 68 70.797 -7.019 -1.877 1.00 0.00 C ATOM 967 OD1 ASP A 68 69.798 -6.412 -1.431 1.00 0.00 O ATOM 968 OD2 ASP A 68 71.145 -8.146 -1.457 1.00 0.00 O ATOM 0 H ASP A 68 72.292 -5.525 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 68 70.427 -7.463 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.597 -6.837 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.759 -5.321 -2.763 1.00 0.00 H new ATOM 973 N ASN A 69 69.408 -4.822 -3.526 1.00 0.00 N ATOM 974 CA ASN A 69 68.306 -3.886 -3.624 1.00 0.00 C ATOM 975 C ASN A 69 68.799 -2.460 -3.397 1.00 0.00 C ATOM 976 O ASN A 69 69.449 -2.164 -2.394 1.00 0.00 O ATOM 977 CB ASN A 69 67.238 -4.271 -2.604 1.00 0.00 C ATOM 978 CG ASN A 69 65.828 -4.014 -3.088 1.00 0.00 C ATOM 979 OD1 ASN A 69 65.567 -3.075 -3.827 1.00 0.00 O ATOM 980 ND2 ASN A 69 64.904 -4.864 -2.672 1.00 0.00 N ATOM 0 H ASN A 69 69.732 -4.999 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 69 67.873 -3.927 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 69 67.344 -5.328 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 69 67.406 -3.712 -1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 69 63.935 -4.748 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 69 65.161 -5.635 -2.056 1.00 0.00 H new ATOM 987 N ASP A 70 68.478 -1.599 -4.355 1.00 0.00 N ATOM 988 CA ASP A 70 69.035 -0.246 -4.460 1.00 0.00 C ATOM 989 C ASP A 70 68.618 0.665 -3.298 1.00 0.00 C ATOM 990 O ASP A 70 68.343 0.198 -2.203 1.00 0.00 O ATOM 991 CB ASP A 70 68.558 0.363 -5.775 1.00 0.00 C ATOM 992 CG ASP A 70 69.586 1.263 -6.419 1.00 0.00 C ATOM 993 OD1 ASP A 70 70.011 2.257 -5.775 1.00 0.00 O ATOM 994 OD2 ASP A 70 69.964 0.978 -7.569 1.00 0.00 O ATOM 0 H ASP A 70 67.813 -1.820 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 70 70.121 -0.326 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 70 68.301 -0.439 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 70 67.647 0.933 -5.595 1.00 0.00 H new ATOM 999 N CYS A 71 68.648 1.978 -3.553 1.00 0.00 N ATOM 1000 CA CYS A 71 68.132 3.009 -2.640 1.00 0.00 C ATOM 1001 C CYS A 71 68.724 4.366 -3.011 1.00 0.00 C ATOM 1002 O CYS A 71 68.121 5.410 -2.764 1.00 0.00 O ATOM 1003 CB CYS A 71 68.446 2.713 -1.168 1.00 0.00 C ATOM 1004 SG CYS A 71 67.675 3.872 0.011 1.00 0.00 S ATOM 0 H CYS A 71 69.038 2.362 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 71 67.048 3.015 -2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 71 68.115 1.701 -0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 71 69.527 2.735 -1.027 1.00 0.00 H new ATOM 1009 N GLY A 72 69.909 4.345 -3.612 1.00 0.00 N ATOM 1010 CA GLY A 72 70.572 5.581 -3.982 1.00 0.00 C ATOM 1011 C GLY A 72 71.542 6.067 -2.920 1.00 0.00 C ATOM 1012 O GLY A 72 72.300 7.005 -3.146 1.00 0.00 O ATOM 0 H GLY A 72 70.421 3.495 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.109 5.434 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.822 6.351 -4.162 1.00 0.00 H new ATOM 1016 N ASP A 73 71.518 5.425 -1.763 1.00 0.00 N ATOM 1017 CA ASP A 73 72.404 5.784 -0.659 1.00 0.00 C ATOM 1018 C ASP A 73 73.469 4.713 -0.470 1.00 0.00 C ATOM 1019 O ASP A 73 74.040 4.574 0.609 1.00 0.00 O ATOM 1020 CB ASP A 73 71.599 5.945 0.631 1.00 0.00 C ATOM 1021 CG ASP A 73 70.873 4.675 1.034 1.00 0.00 C ATOM 1022 OD1 ASP A 73 70.898 3.694 0.257 1.00 0.00 O ATOM 1023 OD2 ASP A 73 70.256 4.667 2.116 1.00 0.00 O ATOM 0 H ASP A 73 70.891 4.647 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 73 72.890 6.730 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 73 72.269 6.246 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.873 6.748 0.503 1.00 0.00 H new ATOM 1028 N ASN A 74 73.716 3.966 -1.541 1.00 0.00 N ATOM 1029 CA ASN A 74 74.684 2.871 -1.542 1.00 0.00 C ATOM 1030 C ASN A 74 74.192 1.734 -0.644 1.00 0.00 C ATOM 1031 O ASN A 74 74.964 1.129 0.095 1.00 0.00 O ATOM 1032 CB ASN A 74 76.075 3.369 -1.104 1.00 0.00 C ATOM 1033 CG ASN A 74 77.227 2.488 -1.589 1.00 0.00 C ATOM 1034 OD1 ASN A 74 78.309 2.988 -1.886 1.00 0.00 O ATOM 1035 ND2 ASN A 74 77.027 1.178 -1.635 1.00 0.00 N ATOM 0 H ASN A 74 73.249 4.102 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 74 74.779 2.487 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.222 4.382 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.105 3.424 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.783 0.557 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.117 0.792 -1.382 1.00 0.00 H new ATOM 1042 N SER A 75 72.894 1.451 -0.706 1.00 0.00 N ATOM 1043 CA SER A 75 72.346 0.284 -0.027 1.00 0.00 C ATOM 1044 C SER A 75 72.858 -0.986 -0.664 1.00 0.00 C ATOM 1045 O SER A 75 73.722 -1.660 -0.104 1.00 0.00 O ATOM 1046 CB SER A 75 70.825 0.319 -0.014 1.00 0.00 C ATOM 1047 OG SER A 75 70.368 1.285 0.908 1.00 0.00 O ATOM 0 H SER A 75 72.208 2.009 -1.215 1.00 0.00 H new ATOM 0 HA SER A 75 72.682 0.304 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 75 70.451 0.551 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 75 70.434 -0.663 0.253 1.00 0.00 H new ATOM 0 HG SER A 75 70.874 2.116 0.789 1.00 0.00 H new ATOM 1053 N ASP A 76 72.323 -1.307 -1.821 1.00 0.00 N ATOM 1054 CA ASP A 76 72.914 -2.342 -2.641 1.00 0.00 C ATOM 1055 C ASP A 76 74.289 -1.859 -3.094 1.00 0.00 C ATOM 1056 O ASP A 76 75.333 -2.380 -2.699 1.00 0.00 O ATOM 1057 CB ASP A 76 72.058 -2.639 -3.868 1.00 0.00 C ATOM 1058 CG ASP A 76 72.713 -3.669 -4.773 1.00 0.00 C ATOM 1059 OD1 ASP A 76 73.618 -4.385 -4.303 1.00 0.00 O ATOM 1060 OD2 ASP A 76 72.313 -3.785 -5.948 1.00 0.00 O ATOM 0 H ASP A 76 71.488 -0.872 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 76 72.989 -3.259 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.081 -3.002 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.890 -1.718 -4.426 1.00 0.00 H new ATOM 1065 N GLU A 77 74.245 -0.794 -3.882 1.00 0.00 N ATOM 1066 CA GLU A 77 75.432 -0.168 -4.458 1.00 0.00 C ATOM 1067 C GLU A 77 75.121 1.249 -4.947 1.00 0.00 C ATOM 1068 O GLU A 77 75.998 2.117 -4.959 1.00 0.00 O ATOM 1069 CB GLU A 77 76.025 -1.019 -5.597 1.00 0.00 C ATOM 1070 CG GLU A 77 75.008 -1.835 -6.393 1.00 0.00 C ATOM 1071 CD GLU A 77 73.918 -0.996 -7.021 1.00 0.00 C ATOM 1072 OE1 GLU A 77 72.898 -0.738 -6.345 1.00 0.00 O ATOM 1073 OE2 GLU A 77 74.094 -0.560 -8.176 1.00 0.00 O ATOM 0 H GLU A 77 73.374 -0.333 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 77 76.181 -0.102 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 77 76.556 -0.360 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 77 76.763 -1.700 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 77 75.529 -2.385 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.552 -2.574 -5.734 1.00 0.00 H new ATOM 1080 N ALA A 78 73.868 1.456 -5.354 1.00 0.00 N ATOM 1081 CA ALA A 78 73.350 2.761 -5.778 1.00 0.00 C ATOM 1082 C ALA A 78 73.843 3.133 -7.171 1.00 0.00 C ATOM 1083 O ALA A 78 74.098 4.304 -7.459 1.00 0.00 O ATOM 1084 CB ALA A 78 73.707 3.851 -4.779 1.00 0.00 C ATOM 0 H ALA A 78 73.172 0.711 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 78 72.264 2.676 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 78 73.308 4.805 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 78 73.278 3.608 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 78 74.791 3.922 -4.690 1.00 0.00 H new