USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 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 78 SER OG : rot -62:sc= 1.62 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.584 K(o=2.2,f=-2.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 102:sc= 0.394 USER MOD Single : A 24 GLN : amide:sc= -0.897 X(o=-0.9,f=-0.9) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0.0251 K(o=0.025,f=-0.71) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0688 USER MOD Single : A 37 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.21) USER MOD Single : A 40 GLN : amide:sc= -1.13 K(o=-1.1,f=-2!) USER MOD Single : A 41 THR OG1 : rot -120:sc= -2.09 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.277 USER MOD Single : A 59 THR OG1 : rot 170:sc= -0.104 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 66 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.4!) USER MOD Single : A 72 SER OG : rot -130:sc= -5.85! USER MOD Single : A 73 SER OG : rot 180:sc= 0.101 USER MOD Single : A 74 THR OG1 : rot 150:sc= -1.14 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.00269 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 -9.072 -12.945 -0.987 1.00 0.00 N ATOM 2 CA SER A 14 -7.662 -12.686 -1.254 1.00 0.00 C ATOM 3 C SER A 14 -7.015 -11.942 -0.090 1.00 0.00 C ATOM 4 O SER A 14 -7.086 -10.716 -0.008 1.00 0.00 O ATOM 5 CB SER A 14 -7.507 -11.874 -2.542 1.00 0.00 C ATOM 6 OG SER A 14 -7.790 -12.667 -3.682 1.00 0.00 O ATOM 0 HA SER A 14 -7.158 -13.645 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.178 -11.015 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.492 -11.484 -2.610 1.00 0.00 H new ATOM 0 HG SER A 14 -7.686 -12.125 -4.492 1.00 0.00 H new ATOM 12 N GLY A 15 -6.386 -12.693 0.808 1.00 0.00 N ATOM 13 CA GLY A 15 -5.735 -12.088 1.956 1.00 0.00 C ATOM 14 C GLY A 15 -4.391 -11.480 1.609 1.00 0.00 C ATOM 15 O GLY A 15 -3.902 -11.636 0.489 1.00 0.00 O ATOM 0 H GLY A 15 -6.315 -13.709 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.383 -11.316 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.600 -12.842 2.732 1.00 0.00 H new ATOM 19 N GLY A 16 -3.790 -10.785 2.571 1.00 0.00 N ATOM 20 CA GLY A 16 -2.499 -10.163 2.345 1.00 0.00 C ATOM 21 C GLY A 16 -2.571 -8.648 2.375 1.00 0.00 C ATOM 22 O GLY A 16 -2.698 -8.007 1.336 1.00 0.00 O ATOM 0 H GLY A 16 -4.176 -10.642 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.796 -10.505 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.108 -10.486 1.380 1.00 0.00 H new ATOM 26 N CYS A 17 -2.484 -8.077 3.571 1.00 0.00 N ATOM 27 CA CYS A 17 -2.529 -6.632 3.740 1.00 0.00 C ATOM 28 C CYS A 17 -1.432 -6.176 4.686 1.00 0.00 C ATOM 29 O CYS A 17 -1.285 -6.710 5.785 1.00 0.00 O ATOM 30 CB CYS A 17 -3.894 -6.172 4.263 1.00 0.00 C ATOM 31 SG CYS A 17 -4.664 -7.288 5.465 1.00 0.00 S ATOM 0 H CYS A 17 -2.381 -8.598 4.442 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.370 -6.179 2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.779 -5.190 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.570 -6.051 3.416 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.809 -6.799 5.839 1.00 0.00 H new ATOM 37 N GLU A 18 -0.667 -5.185 4.257 1.00 0.00 N ATOM 38 CA GLU A 18 0.414 -4.654 5.073 1.00 0.00 C ATOM 39 C GLU A 18 0.294 -3.150 5.181 1.00 0.00 C ATOM 40 O GLU A 18 -0.165 -2.496 4.257 1.00 0.00 O ATOM 41 CB GLU A 18 1.775 -5.031 4.486 1.00 0.00 C ATOM 42 CG GLU A 18 2.957 -4.488 5.275 1.00 0.00 C ATOM 43 CD GLU A 18 3.030 -5.056 6.680 1.00 0.00 C ATOM 44 OE1 GLU A 18 3.021 -6.297 6.819 1.00 0.00 O ATOM 45 OE2 GLU A 18 3.096 -4.259 7.639 1.00 0.00 O ATOM 0 H GLU A 18 -0.774 -4.732 3.349 1.00 0.00 H new ATOM 0 HA GLU A 18 0.337 -5.090 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.851 -6.117 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.833 -4.662 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.881 -4.720 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.885 -3.402 5.329 1.00 0.00 H new ATOM 52 N LEU A 19 0.716 -2.606 6.304 1.00 0.00 N ATOM 53 CA LEU A 19 0.651 -1.161 6.504 1.00 0.00 C ATOM 54 C LEU A 19 1.790 -0.478 5.767 1.00 0.00 C ATOM 55 O LEU A 19 2.951 -0.874 5.877 1.00 0.00 O ATOM 56 CB LEU A 19 0.686 -0.770 7.985 1.00 0.00 C ATOM 57 CG LEU A 19 0.216 -1.837 8.975 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.106 -1.252 10.374 1.00 0.00 C ATOM 59 CD2 LEU A 19 -1.116 -2.430 8.538 1.00 0.00 C ATOM 0 H LEU A 19 1.105 -3.130 7.088 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.305 -0.828 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.708 -0.490 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.069 0.118 8.120 1.00 0.00 H new ATOM 0 HG LEU A 19 0.956 -2.637 8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.230 -2.024 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.080 -0.880 10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.612 -0.432 10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.431 -3.186 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.867 -1.641 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.006 -2.887 7.555 1.00 0.00 H new ATOM 71 N THR A 20 1.437 0.542 5.009 1.00 0.00 N ATOM 72 CA THR A 20 2.407 1.297 4.233 1.00 0.00 C ATOM 73 C THR A 20 2.092 2.784 4.279 1.00 0.00 C ATOM 74 O THR A 20 0.939 3.181 4.449 1.00 0.00 O ATOM 75 CB THR A 20 2.427 0.809 2.782 1.00 0.00 C ATOM 76 OG1 THR A 20 3.434 1.477 2.042 1.00 0.00 O ATOM 77 CG2 THR A 20 1.112 1.019 2.061 1.00 0.00 C ATOM 0 H THR A 20 0.476 0.871 4.912 1.00 0.00 H new ATOM 0 HA THR A 20 3.392 1.137 4.672 1.00 0.00 H new ATOM 0 HB THR A 20 2.624 -0.261 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.209 0.886 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.195 0.651 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.322 0.475 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.871 2.082 2.046 1.00 0.00 H new ATOM 85 N VAL A 21 3.121 3.601 4.116 1.00 0.00 N ATOM 86 CA VAL A 21 2.962 5.042 4.124 1.00 0.00 C ATOM 87 C VAL A 21 3.382 5.614 2.783 1.00 0.00 C ATOM 88 O VAL A 21 4.382 5.190 2.205 1.00 0.00 O ATOM 89 CB VAL A 21 3.793 5.709 5.237 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.089 5.593 6.579 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.195 5.118 5.310 1.00 0.00 C ATOM 0 H VAL A 21 4.081 3.285 3.976 1.00 0.00 H new ATOM 0 HA VAL A 21 1.909 5.251 4.314 1.00 0.00 H new ATOM 0 HB VAL A 21 3.890 6.767 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.694 6.071 7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.117 6.084 6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.950 4.541 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.756 5.610 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.129 4.050 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.704 5.271 4.358 1.00 0.00 H new ATOM 101 N VAL A 22 2.616 6.567 2.283 1.00 0.00 N ATOM 102 CA VAL A 22 2.920 7.174 1.006 1.00 0.00 C ATOM 103 C VAL A 22 4.032 8.202 1.135 1.00 0.00 C ATOM 104 O VAL A 22 3.994 9.073 2.003 1.00 0.00 O ATOM 105 CB VAL A 22 1.688 7.832 0.351 1.00 0.00 C ATOM 106 CG1 VAL A 22 0.978 6.836 -0.545 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.729 8.421 1.380 1.00 0.00 C ATOM 0 H VAL A 22 1.782 6.934 2.742 1.00 0.00 H new ATOM 0 HA VAL A 22 3.250 6.361 0.359 1.00 0.00 H new ATOM 0 HB VAL A 22 2.044 8.664 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.110 7.312 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.660 6.498 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.653 5.981 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.121 8.872 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.376 7.631 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.246 9.182 1.965 1.00 0.00 H new ATOM 117 N LEU A 23 5.025 8.086 0.266 1.00 0.00 N ATOM 118 CA LEU A 23 6.156 8.992 0.280 1.00 0.00 C ATOM 119 C LEU A 23 5.839 10.302 -0.436 1.00 0.00 C ATOM 120 O LEU A 23 6.489 11.317 -0.195 1.00 0.00 O ATOM 121 CB LEU A 23 7.391 8.336 -0.354 1.00 0.00 C ATOM 122 CG LEU A 23 7.511 6.822 -0.156 1.00 0.00 C ATOM 123 CD1 LEU A 23 8.835 6.316 -0.708 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.374 6.462 1.317 1.00 0.00 C ATOM 0 H LEU A 23 5.067 7.370 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 23 6.371 9.219 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.382 8.545 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.283 8.810 0.056 1.00 0.00 H new ATOM 0 HG LEU A 23 6.702 6.339 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.903 5.238 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.894 6.539 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.657 6.807 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.462 5.382 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.161 6.956 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.401 6.790 1.683 1.00 0.00 H new ATOM 136 N GLN A 24 4.853 10.278 -1.329 1.00 0.00 N ATOM 137 CA GLN A 24 4.477 11.464 -2.070 1.00 0.00 C ATOM 138 C GLN A 24 2.964 11.503 -2.291 1.00 0.00 C ATOM 139 O GLN A 24 2.319 10.457 -2.371 1.00 0.00 O ATOM 140 CB GLN A 24 5.253 11.487 -3.389 1.00 0.00 C ATOM 141 CG GLN A 24 4.726 10.571 -4.475 1.00 0.00 C ATOM 142 CD GLN A 24 5.059 11.068 -5.868 1.00 0.00 C ATOM 143 OE1 GLN A 24 4.168 11.341 -6.672 1.00 0.00 O ATOM 144 NE2 GLN A 24 6.349 11.189 -6.160 1.00 0.00 N ATOM 0 H GLN A 24 4.304 9.448 -1.552 1.00 0.00 H new ATOM 0 HA GLN A 24 4.733 12.358 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.256 12.508 -3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.290 11.220 -3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.145 9.574 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.645 10.479 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.054 10.951 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.634 11.520 -7.082 1.00 0.00 H new ATOM 153 N ASP A 25 2.400 12.702 -2.395 1.00 0.00 N ATOM 154 CA ASP A 25 0.960 12.831 -2.614 1.00 0.00 C ATOM 155 C ASP A 25 0.606 12.311 -3.998 1.00 0.00 C ATOM 156 O ASP A 25 1.388 12.424 -4.943 1.00 0.00 O ATOM 157 CB ASP A 25 0.430 14.274 -2.470 1.00 0.00 C ATOM 158 CG ASP A 25 1.432 15.276 -1.918 1.00 0.00 C ATOM 159 OD1 ASP A 25 2.550 15.362 -2.467 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.095 15.973 -0.938 1.00 0.00 O ATOM 0 H ASP A 25 2.906 13.586 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 25 0.482 12.241 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.094 14.620 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.444 14.261 -1.818 1.00 0.00 H new ATOM 165 N PHE A 26 -0.575 11.742 -4.098 1.00 0.00 N ATOM 166 CA PHE A 26 -1.063 11.192 -5.351 1.00 0.00 C ATOM 167 C PHE A 26 -2.554 11.375 -5.484 1.00 0.00 C ATOM 168 O PHE A 26 -3.266 11.470 -4.496 1.00 0.00 O ATOM 169 CB PHE A 26 -0.737 9.711 -5.472 1.00 0.00 C ATOM 170 CG PHE A 26 -1.009 9.156 -6.841 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.072 9.277 -7.852 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.207 8.510 -7.116 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.320 8.767 -9.112 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.459 7.998 -8.374 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.515 8.126 -9.374 1.00 0.00 C ATOM 0 H PHE A 26 -1.225 11.646 -3.318 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.559 11.736 -6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.313 9.555 -5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.322 9.156 -4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.865 9.776 -7.654 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.949 8.407 -6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.420 8.870 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.395 7.497 -8.576 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.711 7.726 -10.358 1.00 0.00 H new ATOM 185 N SER A 27 -3.019 11.416 -6.711 1.00 0.00 N ATOM 186 CA SER A 27 -4.414 11.557 -6.986 1.00 0.00 C ATOM 187 C SER A 27 -4.855 10.446 -7.929 1.00 0.00 C ATOM 188 O SER A 27 -4.144 10.105 -8.875 1.00 0.00 O ATOM 189 CB SER A 27 -4.663 12.909 -7.615 1.00 0.00 C ATOM 190 OG SER A 27 -3.530 13.355 -8.341 1.00 0.00 O ATOM 0 H SER A 27 -2.432 11.352 -7.543 1.00 0.00 H new ATOM 0 HA SER A 27 -4.987 11.485 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.524 12.850 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.909 13.634 -6.839 1.00 0.00 H new ATOM 0 HG SER A 27 -3.720 14.231 -8.738 1.00 0.00 H new ATOM 196 N ALA A 28 -6.009 9.870 -7.647 1.00 0.00 N ATOM 197 CA ALA A 28 -6.550 8.779 -8.433 1.00 0.00 C ATOM 198 C ALA A 28 -6.557 9.056 -9.929 1.00 0.00 C ATOM 199 O ALA A 28 -6.077 10.087 -10.401 1.00 0.00 O ATOM 200 CB ALA A 28 -7.957 8.471 -7.972 1.00 0.00 C ATOM 0 H ALA A 28 -6.599 10.148 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.893 7.924 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.362 7.650 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.941 8.186 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.583 9.354 -8.099 1.00 0.00 H new ATOM 206 N ALA A 29 -7.123 8.103 -10.666 1.00 0.00 N ATOM 207 CA ALA A 29 -7.227 8.183 -12.119 1.00 0.00 C ATOM 208 C ALA A 29 -7.761 6.871 -12.687 1.00 0.00 C ATOM 209 O ALA A 29 -8.436 6.860 -13.715 1.00 0.00 O ATOM 210 CB ALA A 29 -5.876 8.522 -12.751 1.00 0.00 C ATOM 0 H ALA A 29 -7.523 7.252 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.926 8.984 -12.362 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.984 8.575 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.529 9.484 -12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.151 7.749 -12.496 1.00 0.00 H new ATOM 216 N HIS A 30 -7.447 5.761 -12.015 1.00 0.00 N ATOM 217 CA HIS A 30 -7.894 4.450 -12.467 1.00 0.00 C ATOM 218 C HIS A 30 -9.042 3.912 -11.611 1.00 0.00 C ATOM 219 O HIS A 30 -9.489 4.547 -10.651 1.00 0.00 O ATOM 220 CB HIS A 30 -6.732 3.456 -12.477 1.00 0.00 C ATOM 221 CG HIS A 30 -6.695 2.590 -13.697 1.00 0.00 C ATOM 222 ND1 HIS A 30 -7.108 1.273 -13.700 1.00 0.00 N ATOM 223 CD2 HIS A 30 -6.294 2.858 -14.963 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.960 0.770 -14.913 1.00 0.00 C ATOM 225 NE2 HIS A 30 -6.468 1.711 -15.697 1.00 0.00 N ATOM 0 H HIS A 30 -6.888 5.748 -11.162 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.267 4.570 -13.484 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.794 4.006 -12.403 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.800 2.822 -11.593 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.909 3.799 -15.327 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.201 -0.239 -15.212 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.252 1.603 -16.688 1.00 0.00 H new ATOM 234 N SER A 31 -9.514 2.729 -11.986 1.00 0.00 N ATOM 235 CA SER A 31 -10.625 2.055 -11.309 1.00 0.00 C ATOM 236 C SER A 31 -10.554 2.174 -9.787 1.00 0.00 C ATOM 237 O SER A 31 -11.285 2.959 -9.184 1.00 0.00 O ATOM 238 CB SER A 31 -10.664 0.579 -11.711 1.00 0.00 C ATOM 239 OG SER A 31 -11.340 0.402 -12.944 1.00 0.00 O ATOM 0 H SER A 31 -9.136 2.203 -12.774 1.00 0.00 H new ATOM 0 HA SER A 31 -11.539 2.556 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.647 0.194 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.163 0.000 -10.933 1.00 0.00 H new ATOM 0 HG SER A 31 -11.349 -0.550 -13.178 1.00 0.00 H new ATOM 245 N SER A 32 -9.685 1.384 -9.174 1.00 0.00 N ATOM 246 CA SER A 32 -9.544 1.397 -7.727 1.00 0.00 C ATOM 247 C SER A 32 -8.458 2.373 -7.277 1.00 0.00 C ATOM 248 O SER A 32 -7.655 2.048 -6.408 1.00 0.00 O ATOM 249 CB SER A 32 -9.232 -0.012 -7.217 1.00 0.00 C ATOM 250 OG SER A 32 -8.256 -0.645 -8.026 1.00 0.00 O ATOM 0 H SER A 32 -9.069 0.728 -9.655 1.00 0.00 H new ATOM 0 HA SER A 32 -10.490 1.733 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.876 0.041 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.144 -0.609 -7.209 1.00 0.00 H new ATOM 0 HG SER A 32 -8.074 -1.543 -7.677 1.00 0.00 H new ATOM 256 N GLU A 33 -8.437 3.567 -7.869 1.00 0.00 N ATOM 257 CA GLU A 33 -7.455 4.573 -7.515 1.00 0.00 C ATOM 258 C GLU A 33 -8.045 5.603 -6.565 1.00 0.00 C ATOM 259 O GLU A 33 -9.254 5.837 -6.558 1.00 0.00 O ATOM 260 CB GLU A 33 -6.956 5.267 -8.773 1.00 0.00 C ATOM 261 CG GLU A 33 -5.748 4.599 -9.365 1.00 0.00 C ATOM 262 CD GLU A 33 -4.719 5.579 -9.899 1.00 0.00 C ATOM 263 OE1 GLU A 33 -5.017 6.790 -9.950 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.613 5.132 -10.268 1.00 0.00 O ATOM 0 H GLU A 33 -9.092 3.855 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.624 4.078 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.755 5.285 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.714 6.304 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.281 3.971 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.066 3.940 -10.173 1.00 0.00 H new ATOM 271 N LEU A 34 -7.184 6.226 -5.776 1.00 0.00 N ATOM 272 CA LEU A 34 -7.612 7.240 -4.837 1.00 0.00 C ATOM 273 C LEU A 34 -6.511 8.259 -4.587 1.00 0.00 C ATOM 274 O LEU A 34 -5.344 8.026 -4.905 1.00 0.00 O ATOM 275 CB LEU A 34 -8.058 6.613 -3.523 1.00 0.00 C ATOM 276 CG LEU A 34 -7.392 5.295 -3.130 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.031 5.541 -2.514 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.282 4.572 -2.144 1.00 0.00 C ATOM 0 H LEU A 34 -6.181 6.043 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.463 7.758 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.882 7.334 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.134 6.449 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.252 4.686 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.577 4.588 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.394 6.055 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.141 6.157 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.816 3.629 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.423 5.192 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.249 4.373 -2.605 1.00 0.00 H new ATOM 290 N SER A 35 -6.899 9.389 -4.018 1.00 0.00 N ATOM 291 CA SER A 35 -5.978 10.455 -3.718 1.00 0.00 C ATOM 292 C SER A 35 -5.370 10.270 -2.343 1.00 0.00 C ATOM 293 O SER A 35 -6.064 10.019 -1.358 1.00 0.00 O ATOM 294 CB SER A 35 -6.682 11.806 -3.806 1.00 0.00 C ATOM 295 OG SER A 35 -8.055 11.690 -3.480 1.00 0.00 O ATOM 0 H SER A 35 -7.864 9.586 -3.754 1.00 0.00 H new ATOM 0 HA SER A 35 -5.175 10.428 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.203 12.513 -3.129 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.577 12.209 -4.814 1.00 0.00 H new ATOM 0 HG SER A 35 -8.482 12.570 -3.543 1.00 0.00 H new ATOM 301 N ILE A 36 -4.062 10.399 -2.301 1.00 0.00 N ATOM 302 CA ILE A 36 -3.305 10.256 -1.072 1.00 0.00 C ATOM 303 C ILE A 36 -2.332 11.412 -0.906 1.00 0.00 C ATOM 304 O ILE A 36 -2.074 12.167 -1.843 1.00 0.00 O ATOM 305 CB ILE A 36 -2.514 8.934 -1.050 1.00 0.00 C ATOM 306 CG1 ILE A 36 -1.637 8.830 -2.300 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.462 7.748 -0.960 1.00 0.00 C ATOM 308 CD1 ILE A 36 -0.212 9.287 -2.090 1.00 0.00 C ATOM 0 H ILE A 36 -3.490 10.607 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.022 10.255 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.871 8.922 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.629 7.795 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.085 9.425 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.886 6.822 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.052 7.823 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.128 7.748 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.345 9.182 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.207 10.332 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.256 8.677 -1.317 1.00 0.00 H new ATOM 320 N GLN A 37 -1.801 11.540 0.295 1.00 0.00 N ATOM 321 CA GLN A 37 -0.862 12.586 0.621 1.00 0.00 C ATOM 322 C GLN A 37 0.367 12.020 1.315 1.00 0.00 C ATOM 323 O GLN A 37 0.292 11.030 2.034 1.00 0.00 O ATOM 324 CB GLN A 37 -1.538 13.620 1.507 1.00 0.00 C ATOM 325 CG GLN A 37 -2.149 14.775 0.733 1.00 0.00 C ATOM 326 CD GLN A 37 -3.599 15.029 1.100 1.00 0.00 C ATOM 327 OE1 GLN A 37 -4.406 14.103 1.169 1.00 0.00 O ATOM 328 NE2 GLN A 37 -3.936 16.292 1.337 1.00 0.00 N ATOM 0 H GLN A 37 -2.013 10.916 1.073 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.535 13.060 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.318 13.132 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.808 14.013 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.568 15.678 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.081 14.567 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.234 17.029 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.897 16.525 1.588 1.00 0.00 H new ATOM 337 N VAL A 38 1.498 12.665 1.093 1.00 0.00 N ATOM 338 CA VAL A 38 2.757 12.240 1.687 1.00 0.00 C ATOM 339 C VAL A 38 2.710 12.303 3.216 1.00 0.00 C ATOM 340 O VAL A 38 2.529 13.375 3.793 1.00 0.00 O ATOM 341 CB VAL A 38 3.916 13.130 1.189 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.642 14.589 1.514 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.248 12.687 1.780 1.00 0.00 C ATOM 0 H VAL A 38 1.572 13.492 0.501 1.00 0.00 H new ATOM 0 HA VAL A 38 2.922 11.206 1.382 1.00 0.00 H new ATOM 0 HB VAL A 38 3.982 13.021 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.469 15.203 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.719 14.903 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.541 14.709 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.043 13.334 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.204 12.753 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.452 11.657 1.487 1.00 0.00 H new ATOM 353 N GLY A 39 2.913 11.158 3.868 1.00 0.00 N ATOM 354 CA GLY A 39 2.929 11.131 5.322 1.00 0.00 C ATOM 355 C GLY A 39 1.855 10.269 5.950 1.00 0.00 C ATOM 356 O GLY A 39 2.009 9.815 7.084 1.00 0.00 O ATOM 0 H GLY A 39 3.066 10.255 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.903 10.773 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.820 12.150 5.692 1.00 0.00 H new ATOM 360 N GLN A 40 0.763 10.055 5.238 1.00 0.00 N ATOM 361 CA GLN A 40 -0.326 9.262 5.762 1.00 0.00 C ATOM 362 C GLN A 40 -0.021 7.773 5.715 1.00 0.00 C ATOM 363 O GLN A 40 0.925 7.337 5.058 1.00 0.00 O ATOM 364 CB GLN A 40 -1.600 9.573 5.004 1.00 0.00 C ATOM 365 CG GLN A 40 -1.613 9.031 3.603 1.00 0.00 C ATOM 366 CD GLN A 40 -2.847 9.433 2.824 1.00 0.00 C ATOM 367 OE1 GLN A 40 -3.200 10.610 2.762 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.511 8.455 2.224 1.00 0.00 N ATOM 0 H GLN A 40 0.610 10.420 4.298 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.458 9.526 6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.448 9.162 5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.737 10.654 4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.727 9.383 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.552 7.943 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.182 7.493 2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.351 8.665 1.684 1.00 0.00 H new ATOM 377 N THR A 41 -0.845 6.998 6.407 1.00 0.00 N ATOM 378 CA THR A 41 -0.684 5.552 6.437 1.00 0.00 C ATOM 379 C THR A 41 -1.919 4.842 5.925 1.00 0.00 C ATOM 380 O THR A 41 -3.035 5.068 6.393 1.00 0.00 O ATOM 381 CB THR A 41 -0.371 5.016 7.848 1.00 0.00 C ATOM 382 OG1 THR A 41 0.934 5.388 8.251 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.476 3.486 7.954 1.00 0.00 C ATOM 0 H THR A 41 -1.631 7.347 6.955 1.00 0.00 H new ATOM 0 HA THR A 41 0.164 5.345 5.785 1.00 0.00 H new ATOM 0 HB THR A 41 -1.124 5.461 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.464 4.583 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.243 3.175 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.489 3.172 7.701 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.230 3.024 7.264 1.00 0.00 H new ATOM 391 N VAL A 42 -1.680 3.923 5.024 1.00 0.00 N ATOM 392 CA VAL A 42 -2.716 3.087 4.498 1.00 0.00 C ATOM 393 C VAL A 42 -2.099 1.730 4.171 1.00 0.00 C ATOM 394 O VAL A 42 -0.939 1.634 3.773 1.00 0.00 O ATOM 395 CB VAL A 42 -3.467 3.752 3.300 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.509 2.856 2.100 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.891 4.129 3.700 1.00 0.00 C ATOM 0 H VAL A 42 -0.755 3.737 4.636 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.500 2.941 5.241 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.911 4.651 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.040 3.357 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.492 2.628 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.026 1.931 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.397 4.591 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.433 3.233 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.861 4.833 4.532 1.00 0.00 H new ATOM 407 N GLU A 43 -2.877 0.695 4.394 1.00 0.00 N ATOM 408 CA GLU A 43 -2.423 -0.665 4.180 1.00 0.00 C ATOM 409 C GLU A 43 -2.432 -1.065 2.709 1.00 0.00 C ATOM 410 O GLU A 43 -3.457 -0.995 2.039 1.00 0.00 O ATOM 411 CB GLU A 43 -3.305 -1.629 4.969 1.00 0.00 C ATOM 412 CG GLU A 43 -4.758 -1.621 4.516 1.00 0.00 C ATOM 413 CD GLU A 43 -5.646 -2.490 5.386 1.00 0.00 C ATOM 414 OE1 GLU A 43 -5.109 -3.361 6.101 1.00 0.00 O ATOM 415 OE2 GLU A 43 -6.881 -2.299 5.351 1.00 0.00 O ATOM 0 H GLU A 43 -3.838 0.769 4.727 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.391 -0.716 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.906 -2.639 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.260 -1.370 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.133 -0.598 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.815 -1.968 3.484 1.00 0.00 H new ATOM 422 N LEU A 44 -1.274 -1.503 2.219 1.00 0.00 N ATOM 423 CA LEU A 44 -1.139 -1.936 0.848 1.00 0.00 C ATOM 424 C LEU A 44 -1.832 -3.261 0.617 1.00 0.00 C ATOM 425 O LEU A 44 -1.912 -4.115 1.514 1.00 0.00 O ATOM 426 CB LEU A 44 0.315 -2.040 0.418 1.00 0.00 C ATOM 427 CG LEU A 44 1.244 -2.841 1.333 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.060 -4.331 1.097 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.691 -2.439 1.094 1.00 0.00 C ATOM 0 H LEU A 44 -0.414 -1.564 2.764 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.620 -1.171 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.345 -2.488 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.716 -1.031 0.325 1.00 0.00 H new ATOM 0 HG LEU A 44 0.990 -2.622 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.727 -4.889 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.027 -4.608 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.294 -4.567 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.342 -3.016 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.957 -2.636 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.813 -1.376 1.304 1.00 0.00 H new ATOM 441 N LEU A 45 -2.333 -3.400 -0.600 1.00 0.00 N ATOM 442 CA LEU A 45 -3.053 -4.594 -1.025 1.00 0.00 C ATOM 443 C LEU A 45 -2.098 -5.746 -1.331 1.00 0.00 C ATOM 444 O LEU A 45 -2.233 -6.833 -0.774 1.00 0.00 O ATOM 445 CB LEU A 45 -3.918 -4.287 -2.253 1.00 0.00 C ATOM 446 CG LEU A 45 -4.629 -2.926 -2.242 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.083 -2.543 -3.643 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.817 -2.954 -1.306 1.00 0.00 C ATOM 0 H LEU A 45 -2.253 -2.687 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.697 -4.902 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.288 -4.340 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.671 -5.069 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.919 -2.179 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.584 -1.576 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.217 -2.482 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.774 -3.297 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.308 -1.981 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.522 -3.718 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.479 -3.184 -0.296 1.00 0.00 H new ATOM 460 N GLU A 46 -1.133 -5.515 -2.219 1.00 0.00 N ATOM 461 CA GLU A 46 -0.178 -6.535 -2.581 1.00 0.00 C ATOM 462 C GLU A 46 1.219 -5.936 -2.692 1.00 0.00 C ATOM 463 O GLU A 46 1.436 -4.761 -2.395 1.00 0.00 O ATOM 464 CB GLU A 46 -0.575 -7.222 -3.900 1.00 0.00 C ATOM 465 CG GLU A 46 -1.351 -6.344 -4.872 1.00 0.00 C ATOM 466 CD GLU A 46 -1.756 -7.085 -6.130 1.00 0.00 C ATOM 467 OE1 GLU A 46 -1.040 -8.031 -6.520 1.00 0.00 O ATOM 468 OE2 GLU A 46 -2.792 -6.720 -6.727 1.00 0.00 O ATOM 0 H GLU A 46 -1.000 -4.624 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.175 -7.291 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.329 -7.576 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.176 -8.101 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.243 -5.961 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.742 -5.482 -5.143 1.00 0.00 H new ATOM 475 N ARG A 47 2.158 -6.764 -3.106 1.00 0.00 N ATOM 476 CA ARG A 47 3.552 -6.360 -3.252 1.00 0.00 C ATOM 477 C ARG A 47 3.997 -6.403 -4.715 1.00 0.00 C ATOM 478 O ARG A 47 3.281 -6.926 -5.567 1.00 0.00 O ATOM 479 CB ARG A 47 4.451 -7.274 -2.421 1.00 0.00 C ATOM 480 CG ARG A 47 4.518 -6.895 -0.950 1.00 0.00 C ATOM 481 CD ARG A 47 5.773 -6.095 -0.632 1.00 0.00 C ATOM 482 NE ARG A 47 6.449 -6.591 0.567 1.00 0.00 N ATOM 483 CZ ARG A 47 5.917 -6.566 1.790 1.00 0.00 C ATOM 484 NH1 ARG A 47 4.701 -6.069 1.990 1.00 0.00 N ATOM 485 NH2 ARG A 47 6.606 -7.040 2.819 1.00 0.00 N ATOM 0 H ARG A 47 1.981 -7.738 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 47 3.639 -5.333 -2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.090 -8.299 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.458 -7.255 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.637 -6.311 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.498 -7.798 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.457 -6.141 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.509 -5.047 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 47 7.386 -6.980 0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.165 -5.702 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.304 -6.055 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.540 -7.422 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.202 -7.022 3.755 1.00 0.00 H new ATOM 499 N PRO A 48 5.192 -5.847 -5.027 1.00 0.00 N ATOM 500 CA PRO A 48 5.734 -5.827 -6.397 1.00 0.00 C ATOM 501 C PRO A 48 6.067 -7.228 -6.922 1.00 0.00 C ATOM 502 O PRO A 48 7.218 -7.528 -7.238 1.00 0.00 O ATOM 503 CB PRO A 48 7.014 -4.980 -6.273 1.00 0.00 C ATOM 504 CG PRO A 48 6.903 -4.282 -4.961 1.00 0.00 C ATOM 505 CD PRO A 48 6.112 -5.195 -4.077 1.00 0.00 C ATOM 0 HA PRO A 48 5.011 -5.426 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.905 -5.607 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.093 -4.266 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.888 -4.086 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.406 -3.318 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.749 -5.919 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.574 -4.645 -3.305 1.00 0.00 H new ATOM 513 N SER A 49 5.051 -8.083 -7.018 1.00 0.00 N ATOM 514 CA SER A 49 5.240 -9.445 -7.507 1.00 0.00 C ATOM 515 C SER A 49 5.183 -9.491 -9.023 1.00 0.00 C ATOM 516 O SER A 49 6.035 -10.089 -9.679 1.00 0.00 O ATOM 517 CB SER A 49 4.178 -10.369 -6.918 1.00 0.00 C ATOM 518 OG SER A 49 4.710 -11.656 -6.653 1.00 0.00 O ATOM 0 H SER A 49 4.090 -7.856 -6.764 1.00 0.00 H new ATOM 0 HA SER A 49 6.226 -9.785 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.787 -9.937 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.341 -10.454 -7.611 1.00 0.00 H new ATOM 0 HG SER A 49 4.010 -12.228 -6.275 1.00 0.00 H new ATOM 524 N GLU A 50 4.168 -8.848 -9.563 1.00 0.00 N ATOM 525 CA GLU A 50 3.960 -8.786 -10.992 1.00 0.00 C ATOM 526 C GLU A 50 4.867 -7.731 -11.609 1.00 0.00 C ATOM 527 O GLU A 50 5.421 -7.913 -12.692 1.00 0.00 O ATOM 528 CB GLU A 50 2.496 -8.470 -11.257 1.00 0.00 C ATOM 529 CG GLU A 50 2.106 -7.054 -10.898 1.00 0.00 C ATOM 530 CD GLU A 50 0.654 -6.746 -11.205 1.00 0.00 C ATOM 531 OE1 GLU A 50 -0.226 -7.237 -10.467 1.00 0.00 O ATOM 532 OE2 GLU A 50 0.395 -6.014 -12.183 1.00 0.00 O ATOM 0 H GLU A 50 3.462 -8.352 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 50 4.209 -9.744 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.282 -8.640 -12.312 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.875 -9.164 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.290 -6.890 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.743 -6.358 -11.443 1.00 0.00 H new ATOM 539 N ARG A 51 5.019 -6.634 -10.883 1.00 0.00 N ATOM 540 CA ARG A 51 5.871 -5.533 -11.316 1.00 0.00 C ATOM 541 C ARG A 51 6.724 -5.035 -10.152 1.00 0.00 C ATOM 542 O ARG A 51 6.223 -4.891 -9.038 1.00 0.00 O ATOM 543 CB ARG A 51 5.048 -4.371 -11.885 1.00 0.00 C ATOM 544 CG ARG A 51 3.748 -4.093 -11.145 1.00 0.00 C ATOM 545 CD ARG A 51 2.564 -3.993 -12.098 1.00 0.00 C ATOM 546 NE ARG A 51 2.600 -2.765 -12.889 1.00 0.00 N ATOM 547 CZ ARG A 51 1.542 -2.249 -13.517 1.00 0.00 C ATOM 548 NH1 ARG A 51 0.357 -2.848 -13.450 1.00 0.00 N ATOM 549 NH2 ARG A 51 1.670 -1.128 -14.213 1.00 0.00 N ATOM 0 H ARG A 51 4.561 -6.481 -9.985 1.00 0.00 H new ATOM 0 HA ARG A 51 6.518 -5.911 -12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.659 -3.469 -11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.818 -4.583 -12.929 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.565 -4.887 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.841 -3.164 -10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.562 -4.854 -12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.636 -4.030 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 51 3.489 -2.272 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.251 -3.710 -12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.446 -2.446 -13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.576 -0.662 -14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.863 -0.731 -14.694 1.00 0.00 H new ATOM 563 N PRO A 52 8.023 -4.760 -10.383 1.00 0.00 N ATOM 564 CA PRO A 52 8.924 -4.279 -9.355 1.00 0.00 C ATOM 565 C PRO A 52 9.067 -2.771 -9.396 1.00 0.00 C ATOM 566 O PRO A 52 9.669 -2.215 -10.315 1.00 0.00 O ATOM 567 CB PRO A 52 10.231 -4.953 -9.748 1.00 0.00 C ATOM 568 CG PRO A 52 10.193 -5.002 -11.245 1.00 0.00 C ATOM 569 CD PRO A 52 8.738 -4.884 -11.660 1.00 0.00 C ATOM 0 HA PRO A 52 8.587 -4.503 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.092 -4.388 -9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.306 -5.953 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.782 -4.190 -11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.623 -5.934 -11.611 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.572 -4.016 -12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.409 -5.759 -12.220 1.00 0.00 H new ATOM 577 N GLY A 53 8.498 -2.114 -8.403 1.00 0.00 N ATOM 578 CA GLY A 53 8.556 -0.672 -8.341 1.00 0.00 C ATOM 579 C GLY A 53 7.233 -0.042 -7.975 1.00 0.00 C ATOM 580 O GLY A 53 7.169 1.154 -7.738 1.00 0.00 O ATOM 0 H GLY A 53 7.994 -2.556 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.308 -0.376 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.881 -0.285 -9.307 1.00 0.00 H new ATOM 584 N TRP A 54 6.179 -0.845 -7.970 1.00 0.00 N ATOM 585 CA TRP A 54 4.839 -0.386 -7.662 1.00 0.00 C ATOM 586 C TRP A 54 4.358 -0.809 -6.262 1.00 0.00 C ATOM 587 O TRP A 54 4.904 -1.731 -5.656 1.00 0.00 O ATOM 588 CB TRP A 54 3.877 -0.904 -8.731 1.00 0.00 C ATOM 589 CG TRP A 54 3.251 -2.236 -8.423 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.845 -3.306 -7.822 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.906 -2.613 -8.682 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.940 -4.339 -7.702 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.741 -3.934 -8.230 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.831 -1.955 -9.260 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.528 -4.609 -8.343 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.374 -2.621 -9.375 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.517 -3.938 -8.918 1.00 0.00 C ATOM 0 H TRP A 54 6.234 -1.841 -8.182 1.00 0.00 H new ATOM 0 HA TRP A 54 4.859 0.704 -7.659 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.084 -0.170 -8.873 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.414 -0.980 -9.677 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.872 -3.339 -7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.130 -5.252 -7.289 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.934 -0.940 -9.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.416 -5.624 -7.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.218 -2.119 -9.824 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.471 -4.433 -9.022 1.00 0.00 H new ATOM 608 N CYS A 55 3.294 -0.150 -5.792 1.00 0.00 N ATOM 609 CA CYS A 55 2.687 -0.476 -4.502 1.00 0.00 C ATOM 610 C CYS A 55 1.243 0.007 -4.451 1.00 0.00 C ATOM 611 O CYS A 55 0.840 0.906 -5.180 1.00 0.00 O ATOM 612 CB CYS A 55 3.475 0.091 -3.327 1.00 0.00 C ATOM 613 SG CYS A 55 3.961 -1.145 -2.101 1.00 0.00 S ATOM 0 H CYS A 55 2.836 0.614 -6.289 1.00 0.00 H new ATOM 0 HA CYS A 55 2.706 -1.562 -4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.371 0.582 -3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.875 0.857 -2.837 1.00 0.00 H new ATOM 0 HG CYS A 55 4.626 -0.569 -1.144 1.00 0.00 H new ATOM 619 N LEU A 56 0.466 -0.629 -3.607 1.00 0.00 N ATOM 620 CA LEU A 56 -0.943 -0.308 -3.469 1.00 0.00 C ATOM 621 C LEU A 56 -1.265 0.289 -2.109 1.00 0.00 C ATOM 622 O LEU A 56 -0.506 0.122 -1.155 1.00 0.00 O ATOM 623 CB LEU A 56 -1.745 -1.577 -3.683 1.00 0.00 C ATOM 624 CG LEU A 56 -1.949 -2.002 -5.143 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.729 -1.682 -6.008 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.252 -3.485 -5.208 1.00 0.00 C ATOM 0 H LEU A 56 0.786 -1.381 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.203 0.444 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.249 -2.391 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.724 -1.447 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.791 -1.434 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.917 -2.000 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.541 -0.608 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.142 -2.210 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.396 -3.782 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.419 -4.045 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.159 -3.696 -4.641 1.00 0.00 H new ATOM 638 N VAL A 57 -2.391 0.999 -2.020 1.00 0.00 N ATOM 639 CA VAL A 57 -2.786 1.617 -0.759 1.00 0.00 C ATOM 640 C VAL A 57 -4.289 1.448 -0.481 1.00 0.00 C ATOM 641 O VAL A 57 -5.118 1.907 -1.250 1.00 0.00 O ATOM 642 CB VAL A 57 -2.429 3.131 -0.756 1.00 0.00 C ATOM 643 CG1 VAL A 57 -1.014 3.346 -0.231 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.593 3.755 -2.132 1.00 0.00 C ATOM 0 H VAL A 57 -3.035 1.157 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.233 1.108 0.031 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.130 3.631 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.782 4.411 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.942 2.964 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.305 2.817 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.334 4.813 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.936 3.251 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.628 3.649 -2.458 1.00 0.00 H new ATOM 654 N ARG A 58 -4.628 0.824 0.651 1.00 0.00 N ATOM 655 CA ARG A 58 -6.022 0.629 1.049 1.00 0.00 C ATOM 656 C ARG A 58 -6.290 1.251 2.433 1.00 0.00 C ATOM 657 O ARG A 58 -5.445 1.201 3.321 1.00 0.00 O ATOM 658 CB ARG A 58 -6.359 -0.878 1.024 1.00 0.00 C ATOM 659 CG ARG A 58 -7.379 -1.370 2.061 1.00 0.00 C ATOM 660 CD ARG A 58 -8.458 -2.210 1.416 1.00 0.00 C ATOM 661 NE ARG A 58 -9.436 -1.368 0.738 1.00 0.00 N ATOM 662 CZ ARG A 58 -10.702 -1.743 0.502 1.00 0.00 C ATOM 663 NH1 ARG A 58 -11.120 -2.962 0.834 1.00 0.00 N ATOM 664 NH2 ARG A 58 -11.555 -0.907 -0.076 1.00 0.00 N ATOM 0 H ARG A 58 -3.950 0.444 1.311 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.674 1.139 0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.735 -1.127 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.434 -1.437 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.869 -1.955 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.832 -0.515 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.009 -2.900 0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.956 -2.815 2.174 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.141 -0.443 0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.476 -3.620 1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.085 -3.238 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.250 0.028 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.516 -1.200 -0.252 1.00 0.00 H new ATOM 678 N THR A 59 -7.490 1.802 2.634 1.00 0.00 N ATOM 679 CA THR A 59 -7.836 2.386 3.920 1.00 0.00 C ATOM 680 C THR A 59 -8.923 1.571 4.595 1.00 0.00 C ATOM 681 O THR A 59 -9.924 1.223 3.971 1.00 0.00 O ATOM 682 CB THR A 59 -8.287 3.832 3.743 1.00 0.00 C ATOM 683 OG1 THR A 59 -8.713 4.382 4.977 1.00 0.00 O ATOM 684 CG2 THR A 59 -9.416 3.991 2.753 1.00 0.00 C ATOM 0 H THR A 59 -8.226 1.853 1.929 1.00 0.00 H new ATOM 0 HA THR A 59 -6.950 2.375 4.555 1.00 0.00 H new ATOM 0 HB THR A 59 -7.414 4.359 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.844 5.348 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.687 5.044 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.098 3.626 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.280 3.418 3.091 1.00 0.00 H new ATOM 692 N THR A 60 -8.708 1.262 5.870 1.00 0.00 N ATOM 693 CA THR A 60 -9.659 0.477 6.647 1.00 0.00 C ATOM 694 C THR A 60 -10.180 1.257 7.856 1.00 0.00 C ATOM 695 O THR A 60 -11.195 0.886 8.446 1.00 0.00 O ATOM 696 CB THR A 60 -9.016 -0.831 7.109 1.00 0.00 C ATOM 697 OG1 THR A 60 -9.872 -1.526 7.998 1.00 0.00 O ATOM 698 CG2 THR A 60 -7.692 -0.628 7.812 1.00 0.00 C ATOM 0 H THR A 60 -7.877 1.546 6.389 1.00 0.00 H new ATOM 0 HA THR A 60 -10.507 0.254 6.000 1.00 0.00 H new ATOM 0 HB THR A 60 -8.844 -1.406 6.199 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.443 -2.360 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.289 -1.594 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.992 -0.138 7.135 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.840 -0.005 8.694 1.00 0.00 H new ATOM 706 N GLU A 61 -9.500 2.352 8.218 1.00 0.00 N ATOM 707 CA GLU A 61 -9.931 3.175 9.345 1.00 0.00 C ATOM 708 C GLU A 61 -10.885 4.284 8.890 1.00 0.00 C ATOM 709 O GLU A 61 -11.100 5.264 9.604 1.00 0.00 O ATOM 710 CB GLU A 61 -8.720 3.782 10.055 1.00 0.00 C ATOM 711 CG GLU A 61 -7.844 4.630 9.147 1.00 0.00 C ATOM 712 CD GLU A 61 -7.277 5.845 9.853 1.00 0.00 C ATOM 713 OE1 GLU A 61 -8.053 6.782 10.136 1.00 0.00 O ATOM 714 OE2 GLU A 61 -6.057 5.861 10.122 1.00 0.00 O ATOM 0 H GLU A 61 -8.657 2.683 7.749 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.467 2.532 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.067 4.395 10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.118 2.979 10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.025 4.020 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.427 4.954 8.285 1.00 0.00 H new ATOM 721 N ARG A 62 -11.457 4.112 7.703 1.00 0.00 N ATOM 722 CA ARG A 62 -12.387 5.049 7.133 1.00 0.00 C ATOM 723 C ARG A 62 -13.478 4.244 6.433 1.00 0.00 C ATOM 724 O ARG A 62 -13.298 3.781 5.306 1.00 0.00 O ATOM 725 CB ARG A 62 -11.640 5.972 6.157 1.00 0.00 C ATOM 726 CG ARG A 62 -12.515 6.609 5.092 1.00 0.00 C ATOM 727 CD ARG A 62 -12.093 8.040 4.794 1.00 0.00 C ATOM 728 NE ARG A 62 -12.918 9.014 5.506 1.00 0.00 N ATOM 729 CZ ARG A 62 -13.036 10.294 5.155 1.00 0.00 C ATOM 730 NH1 ARG A 62 -12.384 10.769 4.097 1.00 0.00 N ATOM 731 NH2 ARG A 62 -13.809 11.105 5.863 1.00 0.00 N ATOM 0 H ARG A 62 -11.277 3.302 7.110 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.843 5.681 7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.151 6.762 6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -10.853 5.399 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.464 6.017 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.554 6.598 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.048 8.176 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.161 8.222 3.722 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.437 8.693 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.787 10.152 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.481 11.750 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.313 10.749 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.900 12.085 5.595 1.00 0.00 H new ATOM 745 N SER A 63 -14.591 4.055 7.120 1.00 0.00 N ATOM 746 CA SER A 63 -15.691 3.273 6.575 1.00 0.00 C ATOM 747 C SER A 63 -16.553 4.118 5.630 1.00 0.00 C ATOM 748 O SER A 63 -17.017 5.192 6.012 1.00 0.00 O ATOM 749 CB SER A 63 -16.558 2.722 7.709 1.00 0.00 C ATOM 750 OG SER A 63 -15.793 2.527 8.886 1.00 0.00 O ATOM 0 H SER A 63 -14.758 4.430 8.054 1.00 0.00 H new ATOM 0 HA SER A 63 -15.267 2.445 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.377 3.412 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.007 1.777 7.402 1.00 0.00 H new ATOM 0 HG SER A 63 -16.370 2.176 9.597 1.00 0.00 H new ATOM 756 N PRO A 64 -16.782 3.657 4.374 1.00 0.00 N ATOM 757 CA PRO A 64 -16.261 2.382 3.849 1.00 0.00 C ATOM 758 C PRO A 64 -14.794 2.476 3.413 1.00 0.00 C ATOM 759 O PRO A 64 -14.350 3.525 2.945 1.00 0.00 O ATOM 760 CB PRO A 64 -17.158 2.118 2.644 1.00 0.00 C ATOM 761 CG PRO A 64 -17.518 3.475 2.149 1.00 0.00 C ATOM 762 CD PRO A 64 -17.591 4.366 3.364 1.00 0.00 C ATOM 0 HA PRO A 64 -16.277 1.593 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.638 1.541 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.044 1.549 2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.773 3.841 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.473 3.456 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.190 5.358 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.619 4.501 3.699 1.00 0.00 H new ATOM 770 N PRO A 65 -14.020 1.373 3.539 1.00 0.00 N ATOM 771 CA PRO A 65 -12.608 1.346 3.133 1.00 0.00 C ATOM 772 C PRO A 65 -12.432 1.810 1.699 1.00 0.00 C ATOM 773 O PRO A 65 -13.405 1.982 0.965 1.00 0.00 O ATOM 774 CB PRO A 65 -12.207 -0.132 3.276 1.00 0.00 C ATOM 775 CG PRO A 65 -13.491 -0.880 3.408 1.00 0.00 C ATOM 776 CD PRO A 65 -14.455 0.067 4.060 1.00 0.00 C ATOM 0 HA PRO A 65 -11.995 2.014 3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.642 -0.472 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.572 -0.284 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.858 -1.201 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.359 -1.779 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.487 -0.155 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.394 0.023 5.147 1.00 0.00 H new ATOM 784 N GLN A 66 -11.188 2.013 1.304 1.00 0.00 N ATOM 785 CA GLN A 66 -10.875 2.455 -0.020 1.00 0.00 C ATOM 786 C GLN A 66 -9.596 1.785 -0.479 1.00 0.00 C ATOM 787 O GLN A 66 -8.828 1.294 0.345 1.00 0.00 O ATOM 788 CB GLN A 66 -10.749 3.972 -0.025 1.00 0.00 C ATOM 789 CG GLN A 66 -11.586 4.629 -1.097 1.00 0.00 C ATOM 790 CD GLN A 66 -11.125 6.035 -1.433 1.00 0.00 C ATOM 791 OE1 GLN A 66 -11.126 6.438 -2.595 1.00 0.00 O ATOM 792 NE2 GLN A 66 -10.732 6.792 -0.413 1.00 0.00 N ATOM 0 H GLN A 66 -10.374 1.873 1.902 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.669 2.180 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.047 4.359 0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.704 4.244 -0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.556 4.018 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.625 4.662 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.747 6.417 0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.415 7.747 -0.579 1.00 0.00 H new ATOM 801 N GLU A 67 -9.368 1.740 -1.782 1.00 0.00 N ATOM 802 CA GLU A 67 -8.173 1.099 -2.304 1.00 0.00 C ATOM 803 C GLU A 67 -7.532 1.964 -3.370 1.00 0.00 C ATOM 804 O GLU A 67 -8.216 2.696 -4.085 1.00 0.00 O ATOM 805 CB GLU A 67 -8.454 -0.308 -2.859 1.00 0.00 C ATOM 806 CG GLU A 67 -9.909 -0.760 -2.807 1.00 0.00 C ATOM 807 CD GLU A 67 -10.251 -1.748 -3.904 1.00 0.00 C ATOM 808 OE1 GLU A 67 -9.512 -2.743 -4.060 1.00 0.00 O ATOM 809 OE2 GLU A 67 -11.259 -1.529 -4.608 1.00 0.00 O ATOM 0 H GLU A 67 -9.987 2.135 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.483 0.983 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.118 -0.344 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.850 -1.025 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.110 -1.215 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.559 0.111 -2.891 1.00 0.00 H new ATOM 816 N GLY A 68 -6.217 1.891 -3.452 1.00 0.00 N ATOM 817 CA GLY A 68 -5.490 2.711 -4.409 1.00 0.00 C ATOM 818 C GLY A 68 -4.316 2.016 -5.063 1.00 0.00 C ATOM 819 O GLY A 68 -3.940 0.907 -4.681 1.00 0.00 O ATOM 0 H GLY A 68 -5.635 1.282 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.180 3.040 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.130 3.606 -3.902 1.00 0.00 H new ATOM 823 N LEU A 69 -3.737 2.687 -6.056 1.00 0.00 N ATOM 824 CA LEU A 69 -2.594 2.158 -6.787 1.00 0.00 C ATOM 825 C LEU A 69 -1.622 3.263 -7.179 1.00 0.00 C ATOM 826 O LEU A 69 -2.014 4.291 -7.731 1.00 0.00 O ATOM 827 CB LEU A 69 -3.062 1.416 -8.035 1.00 0.00 C ATOM 828 CG LEU A 69 -3.308 -0.071 -7.825 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.659 -0.309 -7.155 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.216 -0.813 -9.149 1.00 0.00 C ATOM 0 H LEU A 69 -4.046 3.606 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.072 1.465 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.982 1.877 -8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.316 1.542 -8.819 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.536 -0.459 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.812 -1.379 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.677 0.190 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.453 0.092 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.394 -1.876 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.965 -0.422 -9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.223 -0.674 -9.576 1.00 0.00 H new ATOM 842 N VAL A 70 -0.349 3.027 -6.898 1.00 0.00 N ATOM 843 CA VAL A 70 0.708 3.976 -7.220 1.00 0.00 C ATOM 844 C VAL A 70 2.038 3.244 -7.224 1.00 0.00 C ATOM 845 O VAL A 70 2.089 2.065 -6.885 1.00 0.00 O ATOM 846 CB VAL A 70 0.774 5.171 -6.226 1.00 0.00 C ATOM 847 CG1 VAL A 70 0.184 6.419 -6.861 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.070 4.866 -4.904 1.00 0.00 C ATOM 0 H VAL A 70 -0.020 2.176 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 70 0.487 4.395 -8.202 1.00 0.00 H new ATOM 0 HB VAL A 70 1.826 5.344 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.237 7.247 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.748 6.672 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.857 6.235 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.144 5.731 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.980 4.643 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.543 4.006 -4.430 1.00 0.00 H new ATOM 858 N PRO A 71 3.144 3.900 -7.594 1.00 0.00 N ATOM 859 CA PRO A 71 4.423 3.251 -7.598 1.00 0.00 C ATOM 860 C PRO A 71 5.128 3.383 -6.257 1.00 0.00 C ATOM 861 O PRO A 71 4.871 4.308 -5.494 1.00 0.00 O ATOM 862 CB PRO A 71 5.183 3.965 -8.699 1.00 0.00 C ATOM 863 CG PRO A 71 4.582 5.340 -8.765 1.00 0.00 C ATOM 864 CD PRO A 71 3.256 5.296 -8.026 1.00 0.00 C ATOM 0 HA PRO A 71 4.345 2.177 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.249 4.011 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.079 3.444 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.250 6.072 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.433 5.644 -9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.248 5.980 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.427 5.582 -8.673 1.00 0.00 H new ATOM 872 N SER A 72 6.011 2.438 -5.983 1.00 0.00 N ATOM 873 CA SER A 72 6.779 2.397 -4.742 1.00 0.00 C ATOM 874 C SER A 72 7.357 3.766 -4.379 1.00 0.00 C ATOM 875 O SER A 72 7.564 4.071 -3.208 1.00 0.00 O ATOM 876 CB SER A 72 7.910 1.371 -4.873 1.00 0.00 C ATOM 877 OG SER A 72 8.924 1.589 -3.907 1.00 0.00 O ATOM 0 H SER A 72 6.220 1.669 -6.619 1.00 0.00 H new ATOM 0 HA SER A 72 6.101 2.106 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.506 0.365 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.340 1.428 -5.873 1.00 0.00 H new ATOM 0 HG SER A 72 9.799 1.604 -4.349 1.00 0.00 H new ATOM 883 N SER A 73 7.613 4.595 -5.386 1.00 0.00 N ATOM 884 CA SER A 73 8.156 5.927 -5.147 1.00 0.00 C ATOM 885 C SER A 73 7.228 6.729 -4.236 1.00 0.00 C ATOM 886 O SER A 73 7.674 7.592 -3.480 1.00 0.00 O ATOM 887 CB SER A 73 8.356 6.666 -6.471 1.00 0.00 C ATOM 888 OG SER A 73 8.521 5.755 -7.545 1.00 0.00 O ATOM 0 H SER A 73 7.455 4.370 -6.368 1.00 0.00 H new ATOM 0 HA SER A 73 9.122 5.819 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.498 7.310 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.231 7.313 -6.401 1.00 0.00 H new ATOM 0 HG SER A 73 8.645 6.253 -8.380 1.00 0.00 H new ATOM 894 N THR A 74 5.931 6.442 -4.328 1.00 0.00 N ATOM 895 CA THR A 74 4.924 7.128 -3.535 1.00 0.00 C ATOM 896 C THR A 74 4.367 6.221 -2.439 1.00 0.00 C ATOM 897 O THR A 74 3.404 6.583 -1.777 1.00 0.00 O ATOM 898 CB THR A 74 3.787 7.589 -4.450 1.00 0.00 C ATOM 899 OG1 THR A 74 2.716 6.660 -4.468 1.00 0.00 O ATOM 900 CG2 THR A 74 4.231 7.796 -5.875 1.00 0.00 C ATOM 0 H THR A 74 5.554 5.730 -4.953 1.00 0.00 H new ATOM 0 HA THR A 74 5.391 7.988 -3.056 1.00 0.00 H new ATOM 0 HB THR A 74 3.459 8.540 -4.031 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.874 7.135 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.383 8.122 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.012 8.556 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.620 6.860 -6.274 1.00 0.00 H new ATOM 908 N LEU A 75 4.960 5.044 -2.267 1.00 0.00 N ATOM 909 CA LEU A 75 4.513 4.100 -1.270 1.00 0.00 C ATOM 910 C LEU A 75 5.702 3.476 -0.554 1.00 0.00 C ATOM 911 O LEU A 75 6.672 3.059 -1.177 1.00 0.00 O ATOM 912 CB LEU A 75 3.688 3.004 -1.928 1.00 0.00 C ATOM 913 CG LEU A 75 2.458 3.492 -2.707 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.659 3.318 -4.210 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.197 2.762 -2.248 1.00 0.00 C ATOM 0 H LEU A 75 5.759 4.726 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 75 3.901 4.632 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.331 2.446 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.358 2.307 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 75 2.333 4.555 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.774 3.671 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.527 3.895 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.820 2.264 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.340 3.125 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.315 1.691 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.035 2.948 -1.186 1.00 0.00 H new ATOM 927 N CYS A 76 5.612 3.414 0.756 1.00 0.00 N ATOM 928 CA CYS A 76 6.678 2.837 1.576 1.00 0.00 C ATOM 929 C CYS A 76 6.972 1.398 1.160 1.00 0.00 C ATOM 930 O CYS A 76 6.085 0.544 1.173 1.00 0.00 O ATOM 931 CB CYS A 76 6.296 2.877 3.055 1.00 0.00 C ATOM 932 SG CYS A 76 7.704 2.771 4.185 1.00 0.00 S ATOM 0 H CYS A 76 4.811 3.755 1.287 1.00 0.00 H new ATOM 0 HA CYS A 76 7.577 3.434 1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.753 3.801 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.613 2.054 3.265 1.00 0.00 H new ATOM 0 HG CYS A 76 7.279 2.815 5.413 1.00 0.00 H new ATOM 938 N ILE A 77 8.221 1.139 0.787 1.00 0.00 N ATOM 939 CA ILE A 77 8.629 -0.198 0.361 1.00 0.00 C ATOM 940 C ILE A 77 9.889 -0.668 1.085 1.00 0.00 C ATOM 941 O ILE A 77 10.013 -1.840 1.442 1.00 0.00 O ATOM 942 CB ILE A 77 8.844 -0.265 -1.171 1.00 0.00 C ATOM 943 CG1 ILE A 77 10.100 0.511 -1.607 1.00 0.00 C ATOM 944 CG2 ILE A 77 7.612 0.265 -1.889 1.00 0.00 C ATOM 945 CD1 ILE A 77 10.002 2.011 -1.419 1.00 0.00 C ATOM 0 H ILE A 77 8.967 1.834 0.770 1.00 0.00 H new ATOM 0 HA ILE A 77 7.813 -0.870 0.628 1.00 0.00 H new ATOM 0 HB ILE A 77 8.999 -1.309 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.956 0.141 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.296 0.300 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.769 0.215 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.746 -0.340 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.437 1.300 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.928 2.481 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.169 2.398 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.838 2.236 -0.365 1.00 0.00 H new ATOM 957 N SER A 78 10.820 0.253 1.290 1.00 0.00 N ATOM 958 CA SER A 78 12.078 -0.052 1.965 1.00 0.00 C ATOM 959 C SER A 78 12.909 -1.035 1.145 1.00 0.00 C ATOM 960 O SER A 78 12.542 -1.389 0.025 1.00 0.00 O ATOM 961 CB SER A 78 11.817 -0.616 3.367 1.00 0.00 C ATOM 962 OG SER A 78 11.611 -2.019 3.333 1.00 0.00 O ATOM 0 H SER A 78 10.728 1.226 0.997 1.00 0.00 H new ATOM 0 HA SER A 78 12.641 0.876 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.663 -0.387 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.943 -0.129 3.799 1.00 0.00 H new ATOM 0 HG SER A 78 10.813 -2.220 2.801 1.00 0.00 H new ATOM 968 N HIS A 79 14.029 -1.472 1.711 1.00 0.00 N ATOM 969 CA HIS A 79 14.913 -2.412 1.033 1.00 0.00 C ATOM 970 C HIS A 79 15.443 -1.816 -0.269 1.00 0.00 C ATOM 971 O HIS A 79 14.971 -2.152 -1.355 1.00 0.00 O ATOM 972 CB HIS A 79 14.176 -3.722 0.747 1.00 0.00 C ATOM 973 CG HIS A 79 14.143 -4.655 1.917 1.00 0.00 C ATOM 974 ND1 HIS A 79 13.372 -4.431 3.038 1.00 0.00 N ATOM 975 CD2 HIS A 79 14.791 -5.824 2.138 1.00 0.00 C ATOM 976 CE1 HIS A 79 13.549 -5.418 3.897 1.00 0.00 C ATOM 977 NE2 HIS A 79 14.404 -6.276 3.375 1.00 0.00 N ATOM 0 H HIS A 79 14.346 -1.190 2.638 1.00 0.00 H new ATOM 0 HA HIS A 79 15.759 -2.616 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.154 -3.496 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.655 -4.223 -0.094 1.00 0.00 H new ATOM 0 HD1 HIS A 79 12.760 -3.628 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.483 -6.310 1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.074 -5.508 4.863 1.00 0.00 H new ATOM 986 N SER A 80 16.426 -0.930 -0.150 1.00 0.00 N ATOM 987 CA SER A 80 17.021 -0.287 -1.316 1.00 0.00 C ATOM 988 C SER A 80 17.649 -1.321 -2.246 1.00 0.00 C ATOM 989 O SER A 80 17.937 -2.445 -1.836 1.00 0.00 O ATOM 990 CB SER A 80 18.076 0.731 -0.880 1.00 0.00 C ATOM 991 OG SER A 80 17.643 1.460 0.257 1.00 0.00 O ATOM 0 H SER A 80 16.828 -0.641 0.742 1.00 0.00 H new ATOM 0 HA SER A 80 16.229 0.230 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.010 0.217 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.283 1.419 -1.700 1.00 0.00 H new ATOM 0 HG SER A 80 18.336 2.103 0.517 1.00 0.00 H new TER 997 SER A 80