USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 9:sc= 0.807 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -127:sc= -3.7! USER MOD Single : A 18 SER OG : rot 140:sc= -0.446 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -56:sc= 0.278 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 37 ASN : amide:sc= -2.05 K(o=-2,f=-0.064) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -7.07! C(o=-7.1!,f=-5.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 11:sc= 0.235 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 140:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.39! K(o=-2.4!,f=-1.5) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 14.793 14.910 -2.347 1.00 0.00 N ATOM 2 CA THR A 9 13.911 14.387 -1.266 1.00 0.00 C ATOM 3 C THR A 9 13.092 13.211 -1.801 1.00 0.00 C ATOM 4 O THR A 9 11.881 13.270 -1.877 1.00 0.00 O ATOM 5 CB THR A 9 12.966 15.496 -0.797 1.00 0.00 C ATOM 6 OG1 THR A 9 13.542 16.761 -1.088 1.00 0.00 O ATOM 7 CG2 THR A 9 12.738 15.371 0.710 1.00 0.00 C ATOM 0 HA THR A 9 14.522 14.053 -0.428 1.00 0.00 H new ATOM 0 HB THR A 9 12.011 15.404 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.341 16.637 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.065 16.161 1.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.295 14.400 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.691 15.463 1.231 1.00 0.00 H new ATOM 17 N PHE A 10 13.742 12.141 -2.172 1.00 0.00 N ATOM 18 CA PHE A 10 12.998 10.964 -2.700 1.00 0.00 C ATOM 19 C PHE A 10 12.419 10.163 -1.533 1.00 0.00 C ATOM 20 O PHE A 10 12.387 10.623 -0.409 1.00 0.00 O ATOM 21 CB PHE A 10 13.952 10.080 -3.507 1.00 0.00 C ATOM 22 CG PHE A 10 13.878 10.470 -4.984 1.00 0.00 C ATOM 23 CD1 PHE A 10 12.889 9.949 -5.798 1.00 0.00 C ATOM 24 CD2 PHE A 10 14.797 11.353 -5.523 1.00 0.00 C ATOM 25 CE1 PHE A 10 12.821 10.305 -7.130 1.00 0.00 C ATOM 26 CE2 PHE A 10 14.728 11.708 -6.854 1.00 0.00 C ATOM 27 CZ PHE A 10 13.740 11.184 -7.658 1.00 0.00 C ATOM 0 H PHE A 10 14.755 12.032 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 10 12.186 11.303 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.972 10.196 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.686 9.030 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.165 9.259 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.574 11.767 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.046 9.893 -7.759 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.450 12.398 -7.266 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.686 11.462 -8.700 1.00 0.00 H new ATOM 37 N VAL A 11 11.957 8.969 -1.788 1.00 0.00 N ATOM 38 CA VAL A 11 11.382 8.146 -0.688 1.00 0.00 C ATOM 39 C VAL A 11 11.415 6.669 -1.084 1.00 0.00 C ATOM 40 O VAL A 11 10.801 6.262 -2.050 1.00 0.00 O ATOM 41 CB VAL A 11 9.935 8.576 -0.434 1.00 0.00 C ATOM 42 CG1 VAL A 11 9.256 7.563 0.489 1.00 0.00 C ATOM 43 CG2 VAL A 11 9.922 9.957 0.226 1.00 0.00 C ATOM 0 H VAL A 11 11.953 8.529 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 11 11.969 8.290 0.219 1.00 0.00 H new ATOM 0 HB VAL A 11 9.398 8.621 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.226 7.869 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.265 6.579 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.793 7.517 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.892 10.264 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.459 9.913 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.405 10.679 -0.432 1.00 0.00 H new ATOM 53 N ALA A 12 12.129 5.865 -0.345 1.00 0.00 N ATOM 54 CA ALA A 12 12.202 4.415 -0.680 1.00 0.00 C ATOM 55 C ALA A 12 10.861 3.751 -0.367 1.00 0.00 C ATOM 56 O ALA A 12 10.664 3.204 0.700 1.00 0.00 O ATOM 57 CB ALA A 12 13.302 3.754 0.152 1.00 0.00 C ATOM 0 H ALA A 12 12.664 6.149 0.475 1.00 0.00 H new ATOM 0 HA ALA A 12 12.427 4.299 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.356 2.693 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.259 4.226 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.076 3.871 1.212 1.00 0.00 H new ATOM 63 N LEU A 13 9.936 3.797 -1.287 1.00 0.00 N ATOM 64 CA LEU A 13 8.605 3.168 -1.047 1.00 0.00 C ATOM 65 C LEU A 13 8.791 1.822 -0.346 1.00 0.00 C ATOM 66 O LEU A 13 8.006 1.439 0.499 1.00 0.00 O ATOM 67 CB LEU A 13 7.902 2.936 -2.385 1.00 0.00 C ATOM 68 CG LEU A 13 7.047 4.151 -2.735 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.450 3.957 -4.130 1.00 0.00 C ATOM 70 CD2 LEU A 13 5.919 4.293 -1.713 1.00 0.00 C ATOM 0 H LEU A 13 10.045 4.244 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 13 8.005 3.829 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.639 2.760 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.278 2.044 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 13 7.663 5.050 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.838 4.821 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.254 3.852 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.832 3.059 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.309 5.161 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.299 3.397 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.344 4.423 -0.718 1.00 0.00 H new ATOM 82 N TYR A 14 9.820 1.099 -0.690 1.00 0.00 N ATOM 83 CA TYR A 14 10.047 -0.221 -0.038 1.00 0.00 C ATOM 84 C TYR A 14 11.545 -0.473 0.130 1.00 0.00 C ATOM 85 O TYR A 14 12.364 0.389 -0.119 1.00 0.00 O ATOM 86 CB TYR A 14 9.448 -1.321 -0.915 1.00 0.00 C ATOM 87 CG TYR A 14 7.943 -1.096 -1.053 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.446 -0.261 -2.032 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.060 -1.723 -0.197 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.086 -0.057 -2.154 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.701 -1.520 -0.318 1.00 0.00 C ATOM 92 CZ TYR A 14 5.204 -0.684 -1.298 1.00 0.00 C ATOM 93 OH TYR A 14 3.845 -0.480 -1.418 1.00 0.00 O ATOM 0 H TYR A 14 10.511 1.364 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 14 9.572 -0.223 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.919 -1.315 -1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.642 -2.299 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.126 0.237 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.437 -2.378 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.710 0.598 -2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.022 -2.018 0.358 1.00 0.00 H new ATOM 0 HH TYR A 14 3.374 -1.001 -0.734 1.00 0.00 H new ATOM 103 N ASP A 15 11.908 -1.652 0.558 1.00 0.00 N ATOM 104 CA ASP A 15 13.351 -1.969 0.745 1.00 0.00 C ATOM 105 C ASP A 15 13.801 -2.940 -0.350 1.00 0.00 C ATOM 106 O ASP A 15 14.182 -4.062 -0.079 1.00 0.00 O ATOM 107 CB ASP A 15 13.558 -2.615 2.117 1.00 0.00 C ATOM 108 CG ASP A 15 12.349 -3.487 2.458 1.00 0.00 C ATOM 109 OD1 ASP A 15 11.312 -2.930 2.779 1.00 0.00 O ATOM 110 OD2 ASP A 15 12.479 -4.698 2.392 1.00 0.00 O ATOM 0 H ASP A 15 11.265 -2.410 0.786 1.00 0.00 H new ATOM 0 HA ASP A 15 13.938 -1.052 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.466 -3.219 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.690 -1.845 2.877 1.00 0.00 H new ATOM 115 N TYR A 16 13.748 -2.514 -1.585 1.00 0.00 N ATOM 116 CA TYR A 16 14.169 -3.394 -2.717 1.00 0.00 C ATOM 117 C TYR A 16 15.397 -4.219 -2.306 1.00 0.00 C ATOM 118 O TYR A 16 16.184 -3.813 -1.474 1.00 0.00 O ATOM 119 CB TYR A 16 14.490 -2.509 -3.936 1.00 0.00 C ATOM 120 CG TYR A 16 15.622 -3.115 -4.777 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.398 -4.232 -5.555 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.879 -2.546 -4.768 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.417 -4.773 -6.313 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.899 -3.086 -5.525 1.00 0.00 C ATOM 125 CZ TYR A 16 17.675 -4.203 -6.304 1.00 0.00 C ATOM 126 OH TYR A 16 18.692 -4.740 -7.067 1.00 0.00 O ATOM 0 H TYR A 16 13.428 -1.586 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 16 13.367 -4.085 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.597 -2.394 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 16 14.776 -1.512 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.418 -4.686 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.066 -1.671 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.229 -5.648 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.879 -2.632 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 16 19.475 -4.902 -6.501 1.00 0.00 H new ATOM 136 N GLU A 17 15.562 -5.375 -2.892 1.00 0.00 N ATOM 137 CA GLU A 17 16.730 -6.233 -2.548 1.00 0.00 C ATOM 138 C GLU A 17 16.901 -7.311 -3.623 1.00 0.00 C ATOM 139 O GLU A 17 16.422 -8.420 -3.485 1.00 0.00 O ATOM 140 CB GLU A 17 16.491 -6.900 -1.190 1.00 0.00 C ATOM 141 CG GLU A 17 15.171 -7.675 -1.227 1.00 0.00 C ATOM 142 CD GLU A 17 14.309 -7.277 -0.026 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.604 -6.261 0.581 1.00 0.00 O ATOM 144 OE2 GLU A 17 13.368 -7.997 0.266 1.00 0.00 O ATOM 0 H GLU A 17 14.935 -5.762 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 17 17.631 -5.621 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.314 -7.574 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.461 -6.146 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.639 -7.464 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.366 -8.747 -1.208 1.00 0.00 H new ATOM 151 N SER A 18 17.583 -6.996 -4.692 1.00 0.00 N ATOM 152 CA SER A 18 17.783 -8.003 -5.774 1.00 0.00 C ATOM 153 C SER A 18 18.695 -9.126 -5.274 1.00 0.00 C ATOM 154 O SER A 18 19.215 -9.077 -4.177 1.00 0.00 O ATOM 155 CB SER A 18 18.429 -7.331 -6.986 1.00 0.00 C ATOM 156 OG SER A 18 18.901 -8.325 -7.884 1.00 0.00 O ATOM 0 H SER A 18 18.010 -6.085 -4.862 1.00 0.00 H new ATOM 0 HA SER A 18 16.816 -8.419 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.706 -6.688 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.254 -6.694 -6.665 1.00 0.00 H new ATOM 0 HG SER A 18 18.717 -8.047 -8.806 1.00 0.00 H new ATOM 162 N ARG A 19 18.892 -10.140 -6.075 1.00 0.00 N ATOM 163 CA ARG A 19 19.770 -11.268 -5.651 1.00 0.00 C ATOM 164 C ARG A 19 21.188 -11.033 -6.173 1.00 0.00 C ATOM 165 O ARG A 19 22.147 -11.042 -5.426 1.00 0.00 O ATOM 166 CB ARG A 19 19.224 -12.580 -6.218 1.00 0.00 C ATOM 167 CG ARG A 19 17.729 -12.684 -5.910 1.00 0.00 C ATOM 168 CD ARG A 19 17.289 -14.147 -6.011 1.00 0.00 C ATOM 169 NE ARG A 19 16.563 -14.535 -4.769 1.00 0.00 N ATOM 170 CZ ARG A 19 15.469 -13.911 -4.429 1.00 0.00 C ATOM 171 NH1 ARG A 19 15.531 -12.844 -3.682 1.00 0.00 N ATOM 172 NH2 ARG A 19 14.311 -14.354 -4.838 1.00 0.00 N ATOM 0 H ARG A 19 18.482 -10.235 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 19 19.790 -11.326 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.388 -12.620 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.756 -13.426 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.525 -12.300 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.159 -12.072 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.645 -14.285 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.158 -14.790 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 19 16.922 -15.289 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.435 -12.497 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.675 -12.357 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.262 -15.188 -5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.456 -13.866 -4.572 1.00 0.00 H new ATOM 186 N THR A 20 21.328 -10.823 -7.451 1.00 0.00 N ATOM 187 CA THR A 20 22.685 -10.586 -8.024 1.00 0.00 C ATOM 188 C THR A 20 22.957 -9.087 -8.059 1.00 0.00 C ATOM 189 O THR A 20 24.024 -8.626 -7.708 1.00 0.00 O ATOM 190 CB THR A 20 22.751 -11.125 -9.454 1.00 0.00 C ATOM 191 OG1 THR A 20 24.110 -11.158 -9.868 1.00 0.00 O ATOM 192 CG2 THR A 20 21.956 -10.205 -10.387 1.00 0.00 C ATOM 0 H THR A 20 20.563 -10.805 -8.125 1.00 0.00 H new ATOM 0 HA THR A 20 23.425 -11.094 -7.406 1.00 0.00 H new ATOM 0 HB THR A 20 22.325 -12.128 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 20 24.165 -11.504 -10.783 1.00 0.00 H new ATOM 0 HG21 THR A 20 22.004 -10.590 -11.405 1.00 0.00 H new ATOM 0 HG22 THR A 20 20.916 -10.168 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.382 -9.202 -10.358 1.00 0.00 H new ATOM 200 N GLU A 21 21.993 -8.329 -8.499 1.00 0.00 N ATOM 201 CA GLU A 21 22.170 -6.863 -8.568 1.00 0.00 C ATOM 202 C GLU A 21 21.807 -6.270 -7.217 1.00 0.00 C ATOM 203 O GLU A 21 20.909 -5.459 -7.108 1.00 0.00 O ATOM 204 CB GLU A 21 21.247 -6.294 -9.646 1.00 0.00 C ATOM 205 CG GLU A 21 21.899 -6.465 -11.019 1.00 0.00 C ATOM 206 CD GLU A 21 23.178 -5.627 -11.085 1.00 0.00 C ATOM 207 OE1 GLU A 21 23.445 -4.912 -10.134 1.00 0.00 O ATOM 208 OE2 GLU A 21 23.870 -5.716 -12.086 1.00 0.00 O ATOM 0 H GLU A 21 21.085 -8.670 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 21 23.203 -6.617 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.285 -6.805 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.052 -5.239 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.130 -7.515 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.208 -6.155 -11.803 1.00 0.00 H new ATOM 215 N THR A 22 22.493 -6.680 -6.183 1.00 0.00 N ATOM 216 CA THR A 22 22.194 -6.143 -4.830 1.00 0.00 C ATOM 217 C THR A 22 21.934 -4.646 -4.943 1.00 0.00 C ATOM 218 O THR A 22 21.158 -4.091 -4.193 1.00 0.00 O ATOM 219 CB THR A 22 23.390 -6.385 -3.905 1.00 0.00 C ATOM 220 OG1 THR A 22 23.259 -5.576 -2.745 1.00 0.00 O ATOM 221 CG2 THR A 22 24.684 -6.028 -4.636 1.00 0.00 C ATOM 0 H THR A 22 23.248 -7.365 -6.221 1.00 0.00 H new ATOM 0 HA THR A 22 21.317 -6.643 -4.419 1.00 0.00 H new ATOM 0 HB THR A 22 23.419 -7.435 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.023 -5.730 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.534 -6.201 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.783 -6.650 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 22 24.659 -4.978 -4.928 1.00 0.00 H new ATOM 229 N ASP A 23 22.556 -4.004 -5.910 1.00 0.00 N ATOM 230 CA ASP A 23 22.363 -2.527 -6.100 1.00 0.00 C ATOM 231 C ASP A 23 22.090 -1.861 -4.750 1.00 0.00 C ATOM 232 O ASP A 23 22.555 -2.317 -3.724 1.00 0.00 O ATOM 233 CB ASP A 23 21.181 -2.305 -7.048 1.00 0.00 C ATOM 234 CG ASP A 23 21.522 -2.874 -8.426 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.623 -3.377 -8.581 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.678 -2.798 -9.304 1.00 0.00 O ATOM 0 H ASP A 23 23.191 -4.442 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 23 23.263 -2.085 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.288 -2.789 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.958 -1.241 -7.127 1.00 0.00 H new ATOM 241 N LEU A 24 21.364 -0.781 -4.729 1.00 0.00 N ATOM 242 CA LEU A 24 21.086 -0.122 -3.431 1.00 0.00 C ATOM 243 C LEU A 24 19.800 -0.702 -2.856 1.00 0.00 C ATOM 244 O LEU A 24 18.726 -0.516 -3.393 1.00 0.00 O ATOM 245 CB LEU A 24 20.934 1.387 -3.625 1.00 0.00 C ATOM 246 CG LEU A 24 22.002 2.114 -2.806 1.00 0.00 C ATOM 247 CD1 LEU A 24 22.042 1.540 -1.390 1.00 0.00 C ATOM 248 CD2 LEU A 24 23.367 1.922 -3.464 1.00 0.00 C ATOM 0 H LEU A 24 20.955 -0.331 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 24 21.915 -0.299 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.034 1.641 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 24 19.940 1.707 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 24 21.761 3.176 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 24 22.804 2.059 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 24 21.070 1.673 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 24 22.281 0.478 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 24 24.128 2.440 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 23.604 0.859 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 24 23.344 2.330 -4.475 1.00 0.00 H new ATOM 260 N SER A 25 19.900 -1.412 -1.771 1.00 0.00 N ATOM 261 CA SER A 25 18.682 -2.008 -1.159 1.00 0.00 C ATOM 262 C SER A 25 17.933 -0.937 -0.370 1.00 0.00 C ATOM 263 O SER A 25 16.719 -0.885 -0.379 1.00 0.00 O ATOM 264 CB SER A 25 19.089 -3.145 -0.220 1.00 0.00 C ATOM 265 OG SER A 25 18.807 -4.393 -0.837 1.00 0.00 O ATOM 0 H SER A 25 20.773 -1.606 -1.280 1.00 0.00 H new ATOM 0 HA SER A 25 18.034 -2.399 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.151 -3.075 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.549 -3.063 0.723 1.00 0.00 H new ATOM 0 HG SER A 25 17.858 -4.432 -1.078 1.00 0.00 H new ATOM 271 N PHE A 26 18.650 -0.077 0.305 1.00 0.00 N ATOM 272 CA PHE A 26 17.989 0.995 1.102 1.00 0.00 C ATOM 273 C PHE A 26 16.778 0.412 1.830 1.00 0.00 C ATOM 274 O PHE A 26 16.615 -0.788 1.923 1.00 0.00 O ATOM 275 CB PHE A 26 17.552 2.142 0.180 1.00 0.00 C ATOM 276 CG PHE A 26 16.677 1.612 -0.957 1.00 0.00 C ATOM 277 CD1 PHE A 26 17.249 1.179 -2.140 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.302 1.589 -0.827 1.00 0.00 C ATOM 279 CE1 PHE A 26 16.455 0.730 -3.176 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.508 1.141 -1.863 1.00 0.00 C ATOM 281 CZ PHE A 26 15.085 0.711 -3.037 1.00 0.00 C ATOM 0 H PHE A 26 19.669 -0.072 0.338 1.00 0.00 H new ATOM 0 HA PHE A 26 18.693 1.388 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.001 2.888 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.430 2.641 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.323 1.192 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.845 1.924 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.909 0.393 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.434 1.128 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.464 0.359 -3.848 1.00 0.00 H new ATOM 291 N LYS A 27 15.935 1.247 2.360 1.00 0.00 N ATOM 292 CA LYS A 27 14.738 0.731 3.081 1.00 0.00 C ATOM 293 C LYS A 27 13.704 1.846 3.234 1.00 0.00 C ATOM 294 O LYS A 27 14.026 3.017 3.200 1.00 0.00 O ATOM 295 CB LYS A 27 15.155 0.229 4.466 1.00 0.00 C ATOM 296 CG LYS A 27 15.928 1.329 5.198 1.00 0.00 C ATOM 297 CD LYS A 27 15.932 1.035 6.699 1.00 0.00 C ATOM 298 CE LYS A 27 15.399 2.251 7.459 1.00 0.00 C ATOM 299 NZ LYS A 27 14.122 1.892 8.137 1.00 0.00 N ATOM 0 H LYS A 27 16.020 2.263 2.327 1.00 0.00 H new ATOM 0 HA LYS A 27 14.301 -0.088 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.274 -0.055 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.774 -0.663 4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.950 1.381 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.469 2.299 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.315 0.162 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.943 0.800 7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.132 2.584 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.237 3.081 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.759 2.718 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.424 1.594 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.291 1.113 8.805 1.00 0.00 H new ATOM 313 N LYS A 28 12.461 1.489 3.401 1.00 0.00 N ATOM 314 CA LYS A 28 11.399 2.521 3.557 1.00 0.00 C ATOM 315 C LYS A 28 11.722 3.396 4.770 1.00 0.00 C ATOM 316 O LYS A 28 11.674 2.951 5.899 1.00 0.00 O ATOM 317 CB LYS A 28 10.046 1.823 3.748 1.00 0.00 C ATOM 318 CG LYS A 28 9.032 2.789 4.372 1.00 0.00 C ATOM 319 CD LYS A 28 8.669 2.305 5.778 1.00 0.00 C ATOM 320 CE LYS A 28 8.939 3.419 6.791 1.00 0.00 C ATOM 321 NZ LYS A 28 8.121 3.185 8.015 1.00 0.00 N ATOM 0 H LYS A 28 12.134 0.523 3.436 1.00 0.00 H new ATOM 0 HA LYS A 28 11.353 3.151 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.675 1.466 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.167 0.949 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.451 3.794 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.137 2.845 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.619 2.014 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.253 1.420 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.998 3.443 7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.694 4.388 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.304 3.942 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.112 3.182 7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.376 2.267 8.433 1.00 0.00 H new ATOM 335 N GLY A 29 12.052 4.639 4.545 1.00 0.00 N ATOM 336 CA GLY A 29 12.376 5.542 5.684 1.00 0.00 C ATOM 337 C GLY A 29 13.706 6.253 5.420 1.00 0.00 C ATOM 338 O GLY A 29 13.924 7.363 5.863 1.00 0.00 O ATOM 0 H GLY A 29 12.111 5.067 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.581 6.276 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.437 4.968 6.609 1.00 0.00 H new ATOM 342 N GLU A 30 14.598 5.626 4.702 1.00 0.00 N ATOM 343 CA GLU A 30 15.910 6.275 4.417 1.00 0.00 C ATOM 344 C GLU A 30 15.813 7.075 3.115 1.00 0.00 C ATOM 345 O GLU A 30 14.977 6.812 2.274 1.00 0.00 O ATOM 346 CB GLU A 30 16.996 5.205 4.282 1.00 0.00 C ATOM 347 CG GLU A 30 16.838 4.476 2.947 1.00 0.00 C ATOM 348 CD GLU A 30 17.993 3.489 2.764 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.076 2.553 3.541 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.775 3.686 1.849 1.00 0.00 O ATOM 0 H GLU A 30 14.476 4.696 4.302 1.00 0.00 H new ATOM 0 HA GLU A 30 16.166 6.946 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.982 5.665 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.925 4.495 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.886 3.947 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.826 5.194 2.127 1.00 0.00 H new ATOM 357 N ARG A 31 16.662 8.050 2.944 1.00 0.00 N ATOM 358 CA ARG A 31 16.620 8.866 1.699 1.00 0.00 C ATOM 359 C ARG A 31 17.535 8.241 0.643 1.00 0.00 C ATOM 360 O ARG A 31 18.186 7.244 0.883 1.00 0.00 O ATOM 361 CB ARG A 31 17.095 10.288 2.007 1.00 0.00 C ATOM 362 CG ARG A 31 15.909 11.250 1.919 1.00 0.00 C ATOM 363 CD ARG A 31 16.309 12.606 2.502 1.00 0.00 C ATOM 364 NE ARG A 31 17.691 12.948 2.060 1.00 0.00 N ATOM 365 CZ ARG A 31 18.334 13.930 2.631 1.00 0.00 C ATOM 366 NH1 ARG A 31 17.771 15.100 2.747 1.00 0.00 N ATOM 367 NH2 ARG A 31 19.542 13.739 3.086 1.00 0.00 N ATOM 0 H ARG A 31 17.384 8.317 3.614 1.00 0.00 H new ATOM 0 HA ARG A 31 15.598 8.896 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.537 10.328 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.871 10.585 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.597 11.366 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.057 10.845 2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.610 13.375 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.261 12.574 3.590 1.00 0.00 H new ATOM 0 HE ARG A 31 18.134 12.415 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.827 15.249 2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.275 15.866 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.982 12.823 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.046 14.505 3.532 1.00 0.00 H new ATOM 381 N LEU A 32 17.586 8.821 -0.525 1.00 0.00 N ATOM 382 CA LEU A 32 18.456 8.265 -1.600 1.00 0.00 C ATOM 383 C LEU A 32 18.747 9.359 -2.629 1.00 0.00 C ATOM 384 O LEU A 32 17.881 10.133 -2.986 1.00 0.00 O ATOM 385 CB LEU A 32 17.742 7.099 -2.284 1.00 0.00 C ATOM 386 CG LEU A 32 17.936 5.827 -1.456 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.633 5.489 -0.730 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.320 4.670 -2.381 1.00 0.00 C ATOM 0 H LEU A 32 17.062 9.657 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 32 19.391 7.911 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.680 7.320 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.138 6.955 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 32 18.729 5.986 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.770 4.583 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.359 6.313 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.840 5.330 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.458 3.764 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.527 4.510 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.248 4.911 -2.899 1.00 0.00 H new ATOM 400 N GLN A 33 19.958 9.432 -3.110 1.00 0.00 N ATOM 401 CA GLN A 33 20.294 10.481 -4.115 1.00 0.00 C ATOM 402 C GLN A 33 20.308 9.868 -5.517 1.00 0.00 C ATOM 403 O GLN A 33 21.206 9.131 -5.874 1.00 0.00 O ATOM 404 CB GLN A 33 21.673 11.064 -3.802 1.00 0.00 C ATOM 405 CG GLN A 33 22.107 11.984 -4.946 1.00 0.00 C ATOM 406 CD GLN A 33 23.226 12.908 -4.462 1.00 0.00 C ATOM 407 OE1 GLN A 33 22.968 13.990 -3.974 1.00 0.00 O ATOM 408 NE2 GLN A 33 24.468 12.525 -4.577 1.00 0.00 N ATOM 0 H GLN A 33 20.727 8.813 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 33 19.545 11.271 -4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.641 11.620 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.398 10.261 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.452 11.391 -5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.259 12.574 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.686 11.617 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.221 13.134 -4.257 1.00 0.00 H new ATOM 417 N ILE A 34 19.319 10.165 -6.315 1.00 0.00 N ATOM 418 CA ILE A 34 19.278 9.600 -7.693 1.00 0.00 C ATOM 419 C ILE A 34 20.547 10.013 -8.442 1.00 0.00 C ATOM 420 O ILE A 34 21.079 11.085 -8.233 1.00 0.00 O ATOM 421 CB ILE A 34 18.052 10.141 -8.431 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.798 9.895 -7.589 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.909 9.428 -9.777 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.766 8.434 -7.134 1.00 0.00 C ATOM 0 H ILE A 34 18.538 10.774 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 34 19.218 8.513 -7.642 1.00 0.00 H new ATOM 0 HB ILE A 34 18.174 11.211 -8.598 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.793 10.557 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.906 10.125 -8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 34 17.035 9.814 -10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.801 9.604 -10.378 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.789 8.357 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.873 8.259 -6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.751 7.781 -8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.652 8.220 -6.536 1.00 0.00 H new ATOM 436 N VAL A 35 21.040 9.174 -9.313 1.00 0.00 N ATOM 437 CA VAL A 35 22.275 9.534 -10.065 1.00 0.00 C ATOM 438 C VAL A 35 21.986 9.583 -11.567 1.00 0.00 C ATOM 439 O VAL A 35 22.595 10.340 -12.296 1.00 0.00 O ATOM 440 CB VAL A 35 23.361 8.492 -9.792 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.598 8.811 -10.634 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.734 8.521 -8.308 1.00 0.00 C ATOM 0 H VAL A 35 20.644 8.261 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 35 22.614 10.516 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 35 22.988 7.502 -10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 25.372 8.069 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 35 24.334 8.791 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.971 9.801 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.508 7.779 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.107 9.511 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.853 8.294 -7.707 1.00 0.00 H new ATOM 452 N ASN A 36 21.067 8.788 -12.043 1.00 0.00 N ATOM 453 CA ASN A 36 20.765 8.813 -13.504 1.00 0.00 C ATOM 454 C ASN A 36 19.355 8.273 -13.768 1.00 0.00 C ATOM 455 O ASN A 36 18.625 7.935 -12.860 1.00 0.00 O ATOM 456 CB ASN A 36 21.783 7.943 -14.241 1.00 0.00 C ATOM 457 CG ASN A 36 22.532 8.795 -15.269 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.990 9.140 -16.299 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.765 9.148 -15.029 1.00 0.00 N ATOM 0 H ASN A 36 20.517 8.129 -11.492 1.00 0.00 H new ATOM 0 HA ASN A 36 20.821 9.842 -13.860 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.487 7.508 -13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.278 7.115 -14.738 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.275 9.714 -15.707 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.219 8.858 -14.163 1.00 0.00 H new ATOM 466 N ASN A 37 18.974 8.196 -15.017 1.00 0.00 N ATOM 467 CA ASN A 37 17.617 7.682 -15.365 1.00 0.00 C ATOM 468 C ASN A 37 16.550 8.437 -14.572 1.00 0.00 C ATOM 469 O ASN A 37 16.321 8.172 -13.409 1.00 0.00 O ATOM 470 CB ASN A 37 17.534 6.190 -15.041 1.00 0.00 C ATOM 471 CG ASN A 37 18.383 5.391 -16.036 1.00 0.00 C ATOM 472 OD1 ASN A 37 18.311 4.179 -16.072 1.00 0.00 O ATOM 473 ND2 ASN A 37 19.190 6.016 -16.855 1.00 0.00 N ATOM 0 H ASN A 37 19.548 8.469 -15.815 1.00 0.00 H new ATOM 0 HA ASN A 37 17.443 7.834 -16.430 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.884 6.010 -14.025 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.497 5.857 -15.085 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.754 5.486 -17.519 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.255 7.034 -16.830 1.00 0.00 H new ATOM 480 N THR A 38 15.895 9.380 -15.195 1.00 0.00 N ATOM 481 CA THR A 38 14.840 10.155 -14.483 1.00 0.00 C ATOM 482 C THR A 38 13.491 9.457 -14.669 1.00 0.00 C ATOM 483 O THR A 38 12.661 9.438 -13.782 1.00 0.00 O ATOM 484 CB THR A 38 14.768 11.572 -15.059 1.00 0.00 C ATOM 485 OG1 THR A 38 13.676 12.265 -14.470 1.00 0.00 O ATOM 486 CG2 THR A 38 14.573 11.500 -16.573 1.00 0.00 C ATOM 0 H THR A 38 16.046 9.647 -16.168 1.00 0.00 H new ATOM 0 HA THR A 38 15.080 10.210 -13.421 1.00 0.00 H new ATOM 0 HB THR A 38 15.695 12.102 -14.840 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.629 13.173 -14.836 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.522 12.509 -16.982 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.411 10.968 -17.023 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.646 10.971 -16.796 1.00 0.00 H new ATOM 494 N GLU A 39 13.270 8.884 -15.818 1.00 0.00 N ATOM 495 CA GLU A 39 11.981 8.186 -16.073 1.00 0.00 C ATOM 496 C GLU A 39 11.801 7.069 -15.046 1.00 0.00 C ATOM 497 O GLU A 39 12.496 7.014 -14.055 1.00 0.00 O ATOM 498 CB GLU A 39 12.008 7.593 -17.482 1.00 0.00 C ATOM 499 CG GLU A 39 11.721 8.695 -18.502 1.00 0.00 C ATOM 500 CD GLU A 39 10.643 8.219 -19.478 1.00 0.00 C ATOM 501 OE1 GLU A 39 9.476 8.368 -19.158 1.00 0.00 O ATOM 502 OE2 GLU A 39 11.004 7.714 -20.528 1.00 0.00 O ATOM 0 H GLU A 39 13.930 8.869 -16.595 1.00 0.00 H new ATOM 0 HA GLU A 39 11.152 8.889 -15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.981 7.143 -17.680 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.266 6.799 -17.569 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.391 9.600 -17.992 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.632 8.949 -19.045 1.00 0.00 H new ATOM 509 N GLY A 40 10.867 6.187 -15.270 1.00 0.00 N ATOM 510 CA GLY A 40 10.645 5.072 -14.302 1.00 0.00 C ATOM 511 C GLY A 40 11.335 3.805 -14.817 1.00 0.00 C ATOM 512 O GLY A 40 10.864 3.164 -15.736 1.00 0.00 O ATOM 0 H GLY A 40 10.247 6.188 -16.080 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.040 5.342 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.577 4.892 -14.176 1.00 0.00 H new ATOM 516 N ASP A 41 12.442 3.434 -14.227 1.00 0.00 N ATOM 517 CA ASP A 41 13.162 2.210 -14.682 1.00 0.00 C ATOM 518 C ASP A 41 14.103 1.727 -13.568 1.00 0.00 C ATOM 519 O ASP A 41 13.667 1.212 -12.556 1.00 0.00 O ATOM 520 CB ASP A 41 13.976 2.545 -15.933 1.00 0.00 C ATOM 521 CG ASP A 41 13.041 2.982 -17.061 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.613 4.124 -17.040 1.00 0.00 O ATOM 523 OD2 ASP A 41 12.768 2.167 -17.928 1.00 0.00 O ATOM 0 H ASP A 41 12.878 3.928 -13.448 1.00 0.00 H new ATOM 0 HA ASP A 41 12.444 1.423 -14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.689 3.339 -15.712 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.554 1.675 -16.245 1.00 0.00 H new ATOM 528 N TRP A 42 15.390 1.890 -13.744 1.00 0.00 N ATOM 529 CA TRP A 42 16.359 1.446 -12.705 1.00 0.00 C ATOM 530 C TRP A 42 17.420 2.529 -12.558 1.00 0.00 C ATOM 531 O TRP A 42 18.485 2.463 -13.143 1.00 0.00 O ATOM 532 CB TRP A 42 17.005 0.132 -13.137 1.00 0.00 C ATOM 533 CG TRP A 42 15.925 -0.947 -13.210 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.975 -1.022 -14.156 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.768 -1.929 -12.327 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.254 -2.084 -13.793 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.678 -2.709 -12.664 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.510 -2.227 -11.204 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.333 -3.787 -11.872 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.166 -3.303 -10.414 1.00 0.00 C ATOM 541 CH2 TRP A 42 15.078 -4.084 -10.748 1.00 0.00 C ATOM 0 H TRP A 42 15.811 2.315 -14.570 1.00 0.00 H new ATOM 0 HA TRP A 42 15.854 1.286 -11.752 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.487 0.250 -14.107 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.781 -0.158 -12.429 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.829 -0.376 -15.009 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.444 -2.403 -14.324 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.362 -1.617 -10.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.481 -4.397 -12.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.748 -3.535 -9.534 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.809 -4.928 -10.130 1.00 0.00 H new ATOM 552 N TRP A 43 17.132 3.528 -11.778 1.00 0.00 N ATOM 553 CA TRP A 43 18.104 4.635 -11.576 1.00 0.00 C ATOM 554 C TRP A 43 19.181 4.229 -10.572 1.00 0.00 C ATOM 555 O TRP A 43 18.965 3.405 -9.705 1.00 0.00 O ATOM 556 CB TRP A 43 17.350 5.854 -11.045 1.00 0.00 C ATOM 557 CG TRP A 43 15.949 5.892 -11.664 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.637 5.426 -12.888 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.865 6.401 -11.080 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.336 5.686 -12.998 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.772 6.290 -11.920 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.716 6.969 -9.829 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.537 6.750 -11.509 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.481 7.428 -9.421 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.392 7.318 -10.260 1.00 0.00 C ATOM 0 H TRP A 43 16.256 3.627 -11.266 1.00 0.00 H new ATOM 0 HA TRP A 43 18.587 4.867 -12.525 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.279 5.807 -9.958 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.893 6.767 -11.290 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.288 4.954 -13.609 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.800 5.448 -13.833 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.568 7.054 -9.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.684 6.665 -12.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.367 7.874 -8.444 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.425 7.677 -9.939 1.00 0.00 H new ATOM 576 N LEU A 44 20.342 4.810 -10.690 1.00 0.00 N ATOM 577 CA LEU A 44 21.449 4.477 -9.754 1.00 0.00 C ATOM 578 C LEU A 44 21.390 5.439 -8.571 1.00 0.00 C ATOM 579 O LEU A 44 21.643 6.619 -8.709 1.00 0.00 O ATOM 580 CB LEU A 44 22.791 4.637 -10.468 1.00 0.00 C ATOM 581 CG LEU A 44 23.927 4.306 -9.499 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.444 2.897 -9.789 1.00 0.00 C ATOM 583 CD2 LEU A 44 25.063 5.313 -9.681 1.00 0.00 C ATOM 0 H LEU A 44 20.572 5.506 -11.400 1.00 0.00 H new ATOM 0 HA LEU A 44 21.347 3.448 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.835 3.978 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.899 5.657 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 44 23.559 4.357 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.254 2.658 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 44 23.634 2.179 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 44 24.813 2.848 -10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.873 5.077 -8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.433 5.263 -10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.694 6.318 -9.478 1.00 0.00 H new ATOM 595 N ALA A 45 21.059 4.954 -7.411 1.00 0.00 N ATOM 596 CA ALA A 45 20.989 5.861 -6.237 1.00 0.00 C ATOM 597 C ALA A 45 22.263 5.738 -5.403 1.00 0.00 C ATOM 598 O ALA A 45 22.929 4.719 -5.402 1.00 0.00 O ATOM 599 CB ALA A 45 19.781 5.490 -5.376 1.00 0.00 C ATOM 0 H ALA A 45 20.835 3.976 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 45 20.889 6.888 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.730 6.156 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.870 5.589 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.881 4.460 -5.033 1.00 0.00 H new ATOM 605 N HIS A 46 22.605 6.779 -4.694 1.00 0.00 N ATOM 606 CA HIS A 46 23.831 6.750 -3.851 1.00 0.00 C ATOM 607 C HIS A 46 23.474 7.234 -2.444 1.00 0.00 C ATOM 608 O HIS A 46 22.835 8.254 -2.271 1.00 0.00 O ATOM 609 CB HIS A 46 24.893 7.669 -4.462 1.00 0.00 C ATOM 610 CG HIS A 46 25.990 7.945 -3.432 1.00 0.00 C ATOM 611 ND1 HIS A 46 27.185 7.526 -3.507 1.00 0.00 N ATOM 612 CD2 HIS A 46 25.940 8.670 -2.255 1.00 0.00 C ATOM 613 CE1 HIS A 46 27.865 7.921 -2.497 1.00 0.00 C ATOM 614 NE2 HIS A 46 27.143 8.650 -1.661 1.00 0.00 N ATOM 0 H HIS A 46 22.083 7.655 -4.663 1.00 0.00 H new ATOM 0 HA HIS A 46 24.225 5.735 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.323 7.205 -5.350 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.437 8.606 -4.782 1.00 0.00 H new ATOM 0 HD1 HIS A 46 27.553 6.954 -4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 46 25.066 9.175 -1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 46 28.908 7.686 -2.345 1.00 0.00 H new ATOM 622 N SER A 47 23.877 6.510 -1.436 1.00 0.00 N ATOM 623 CA SER A 47 23.560 6.932 -0.043 1.00 0.00 C ATOM 624 C SER A 47 24.691 7.809 0.495 1.00 0.00 C ATOM 625 O SER A 47 25.838 7.410 0.528 1.00 0.00 O ATOM 626 CB SER A 47 23.411 5.694 0.843 1.00 0.00 C ATOM 627 OG SER A 47 22.032 5.415 1.038 1.00 0.00 O ATOM 0 H SER A 47 24.412 5.645 -1.517 1.00 0.00 H new ATOM 0 HA SER A 47 22.628 7.498 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.904 4.840 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.899 5.860 1.803 1.00 0.00 H new ATOM 0 HG SER A 47 21.936 4.621 1.604 1.00 0.00 H new ATOM 633 N LEU A 48 24.378 9.004 0.918 1.00 0.00 N ATOM 634 CA LEU A 48 25.436 9.904 1.453 1.00 0.00 C ATOM 635 C LEU A 48 25.919 9.373 2.803 1.00 0.00 C ATOM 636 O LEU A 48 27.003 9.688 3.254 1.00 0.00 O ATOM 637 CB LEU A 48 24.866 11.313 1.631 1.00 0.00 C ATOM 638 CG LEU A 48 24.226 11.773 0.320 1.00 0.00 C ATOM 639 CD1 LEU A 48 23.439 13.062 0.563 1.00 0.00 C ATOM 640 CD2 LEU A 48 25.319 12.031 -0.720 1.00 0.00 C ATOM 0 H LEU A 48 23.436 9.394 0.916 1.00 0.00 H new ATOM 0 HA LEU A 48 26.273 9.938 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 48 24.126 11.319 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.658 12.003 1.924 1.00 0.00 H new ATOM 0 HG LEU A 48 23.552 10.999 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 22.982 13.391 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 48 22.660 12.879 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 24.113 13.836 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.862 12.359 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.994 12.805 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.880 11.113 -0.893 1.00 0.00 H new ATOM 652 N THR A 49 25.122 8.570 3.454 1.00 0.00 N ATOM 653 CA THR A 49 25.537 8.018 4.775 1.00 0.00 C ATOM 654 C THR A 49 26.886 7.313 4.629 1.00 0.00 C ATOM 655 O THR A 49 27.908 7.811 5.056 1.00 0.00 O ATOM 656 CB THR A 49 24.487 7.016 5.262 1.00 0.00 C ATOM 657 OG1 THR A 49 23.269 7.699 5.524 1.00 0.00 O ATOM 658 CG2 THR A 49 24.981 6.337 6.542 1.00 0.00 C ATOM 0 H THR A 49 24.202 8.273 3.129 1.00 0.00 H new ATOM 0 HA THR A 49 25.626 8.829 5.497 1.00 0.00 H new ATOM 0 HB THR A 49 24.322 6.260 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.595 7.059 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.233 5.624 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.915 5.813 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.148 7.090 7.312 1.00 0.00 H new ATOM 666 N THR A 50 26.897 6.155 4.025 1.00 0.00 N ATOM 667 CA THR A 50 28.178 5.418 3.850 1.00 0.00 C ATOM 668 C THR A 50 28.852 5.871 2.554 1.00 0.00 C ATOM 669 O THR A 50 30.050 6.065 2.500 1.00 0.00 O ATOM 670 CB THR A 50 27.899 3.915 3.779 1.00 0.00 C ATOM 671 OG1 THR A 50 26.502 3.702 3.629 1.00 0.00 O ATOM 672 CG2 THR A 50 28.385 3.242 5.063 1.00 0.00 C ATOM 0 H THR A 50 26.073 5.689 3.646 1.00 0.00 H new ATOM 0 HA THR A 50 28.834 5.626 4.695 1.00 0.00 H new ATOM 0 HB THR A 50 28.426 3.487 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 50 26.321 2.740 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 50 28.186 2.172 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 50 29.457 3.406 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 50 27.860 3.668 5.918 1.00 0.00 H new ATOM 680 N GLY A 51 28.091 6.039 1.507 1.00 0.00 N ATOM 681 CA GLY A 51 28.688 6.479 0.215 1.00 0.00 C ATOM 682 C GLY A 51 28.715 5.300 -0.759 1.00 0.00 C ATOM 683 O GLY A 51 29.588 5.194 -1.597 1.00 0.00 O ATOM 0 H GLY A 51 27.082 5.891 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.107 7.300 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.698 6.854 0.378 1.00 0.00 H new ATOM 687 N GLN A 52 27.762 4.413 -0.656 1.00 0.00 N ATOM 688 CA GLN A 52 27.733 3.242 -1.576 1.00 0.00 C ATOM 689 C GLN A 52 26.922 3.592 -2.826 1.00 0.00 C ATOM 690 O GLN A 52 26.412 4.687 -2.959 1.00 0.00 O ATOM 691 CB GLN A 52 27.083 2.052 -0.866 1.00 0.00 C ATOM 692 CG GLN A 52 28.001 1.564 0.255 1.00 0.00 C ATOM 693 CD GLN A 52 28.433 0.124 -0.029 1.00 0.00 C ATOM 694 OE1 GLN A 52 27.752 -0.811 0.342 1.00 0.00 O ATOM 695 NE2 GLN A 52 29.544 -0.095 -0.678 1.00 0.00 N ATOM 0 H GLN A 52 27.004 4.449 0.025 1.00 0.00 H new ATOM 0 HA GLN A 52 28.752 2.983 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.115 2.343 -0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 52 26.900 1.246 -1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.876 2.209 0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.483 1.617 1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.116 0.690 -0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.840 -1.051 -0.874 1.00 0.00 H new ATOM 704 N THR A 53 26.800 2.672 -3.742 1.00 0.00 N ATOM 705 CA THR A 53 26.024 2.953 -4.983 1.00 0.00 C ATOM 706 C THR A 53 25.328 1.673 -5.448 1.00 0.00 C ATOM 707 O THR A 53 25.819 0.579 -5.249 1.00 0.00 O ATOM 708 CB THR A 53 26.976 3.453 -6.079 1.00 0.00 C ATOM 709 OG1 THR A 53 27.257 4.829 -5.866 1.00 0.00 O ATOM 710 CG2 THR A 53 26.329 3.270 -7.456 1.00 0.00 C ATOM 0 H THR A 53 27.204 1.737 -3.685 1.00 0.00 H new ATOM 0 HA THR A 53 25.274 3.718 -4.781 1.00 0.00 H new ATOM 0 HB THR A 53 27.902 2.879 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 53 26.922 5.099 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.010 3.627 -8.228 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.116 2.214 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.400 3.839 -7.500 1.00 0.00 H new ATOM 718 N GLY A 54 24.186 1.800 -6.068 1.00 0.00 N ATOM 719 CA GLY A 54 23.464 0.589 -6.544 1.00 0.00 C ATOM 720 C GLY A 54 22.240 1.002 -7.364 1.00 0.00 C ATOM 721 O GLY A 54 21.586 1.984 -7.073 1.00 0.00 O ATOM 0 H GLY A 54 23.724 2.688 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.128 -0.026 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.155 -0.019 -5.694 1.00 0.00 H new ATOM 725 N TYR A 55 21.927 0.256 -8.388 1.00 0.00 N ATOM 726 CA TYR A 55 20.748 0.595 -9.234 1.00 0.00 C ATOM 727 C TYR A 55 19.460 0.329 -8.449 1.00 0.00 C ATOM 728 O TYR A 55 19.004 -0.793 -8.353 1.00 0.00 O ATOM 729 CB TYR A 55 20.760 -0.276 -10.493 1.00 0.00 C ATOM 730 CG TYR A 55 21.165 0.568 -11.703 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.274 1.385 -11.647 1.00 0.00 C ATOM 732 CD2 TYR A 55 20.430 0.516 -12.870 1.00 0.00 C ATOM 733 CE1 TYR A 55 22.644 2.140 -12.742 1.00 0.00 C ATOM 734 CE2 TYR A 55 20.799 1.270 -13.964 1.00 0.00 C ATOM 735 CZ TYR A 55 21.909 2.088 -13.909 1.00 0.00 C ATOM 736 OH TYR A 55 22.279 2.843 -15.004 1.00 0.00 O ATOM 0 H TYR A 55 22.440 -0.577 -8.676 1.00 0.00 H new ATOM 0 HA TYR A 55 20.793 1.647 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.457 -1.105 -10.366 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.774 -0.711 -10.655 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.858 1.435 -10.740 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.559 -0.120 -12.927 1.00 0.00 H new ATOM 0 HE1 TYR A 55 23.515 2.776 -12.685 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.215 1.220 -14.871 1.00 0.00 H new ATOM 0 HH TYR A 55 21.651 2.683 -15.739 1.00 0.00 H new ATOM 746 N ILE A 56 18.870 1.349 -7.887 1.00 0.00 N ATOM 747 CA ILE A 56 17.612 1.146 -7.112 1.00 0.00 C ATOM 748 C ILE A 56 16.414 1.208 -8.070 1.00 0.00 C ATOM 749 O ILE A 56 16.226 2.199 -8.746 1.00 0.00 O ATOM 750 CB ILE A 56 17.475 2.254 -6.066 1.00 0.00 C ATOM 751 CG1 ILE A 56 17.310 3.604 -6.767 1.00 0.00 C ATOM 752 CG2 ILE A 56 18.729 2.281 -5.192 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.821 3.937 -6.889 1.00 0.00 C ATOM 0 H ILE A 56 19.203 2.312 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 56 17.640 0.176 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 56 16.600 2.062 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.823 4.383 -6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.768 3.571 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.635 3.069 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.845 1.319 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 56 19.603 2.473 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.703 4.899 -7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.321 3.162 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.377 3.987 -5.895 1.00 0.00 H new ATOM 765 N PRO A 57 15.636 0.152 -8.103 1.00 0.00 N ATOM 766 CA PRO A 57 14.454 0.086 -8.979 1.00 0.00 C ATOM 767 C PRO A 57 13.471 1.202 -8.614 1.00 0.00 C ATOM 768 O PRO A 57 13.077 1.345 -7.474 1.00 0.00 O ATOM 769 CB PRO A 57 13.838 -1.294 -8.710 1.00 0.00 C ATOM 770 CG PRO A 57 14.720 -2.003 -7.649 1.00 0.00 C ATOM 771 CD PRO A 57 15.865 -1.047 -7.277 1.00 0.00 C ATOM 0 HA PRO A 57 14.705 0.217 -10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.814 -1.193 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.797 -1.881 -9.628 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.130 -2.254 -6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.116 -2.938 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.849 -0.805 -6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.837 -1.493 -7.487 1.00 0.00 H new ATOM 779 N SER A 58 13.074 1.994 -9.572 1.00 0.00 N ATOM 780 CA SER A 58 12.118 3.098 -9.280 1.00 0.00 C ATOM 781 C SER A 58 10.783 2.517 -8.810 1.00 0.00 C ATOM 782 O SER A 58 9.921 3.226 -8.330 1.00 0.00 O ATOM 783 CB SER A 58 11.894 3.922 -10.548 1.00 0.00 C ATOM 784 OG SER A 58 10.776 3.407 -11.255 1.00 0.00 O ATOM 0 H SER A 58 13.371 1.924 -10.545 1.00 0.00 H new ATOM 0 HA SER A 58 12.530 3.733 -8.496 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.725 4.967 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.783 3.889 -11.178 1.00 0.00 H new ATOM 0 HG SER A 58 10.246 4.149 -11.614 1.00 0.00 H new ATOM 790 N ASN A 59 10.603 1.232 -8.945 1.00 0.00 N ATOM 791 CA ASN A 59 9.322 0.611 -8.506 1.00 0.00 C ATOM 792 C ASN A 59 9.222 0.666 -6.979 1.00 0.00 C ATOM 793 O ASN A 59 8.197 0.357 -6.405 1.00 0.00 O ATOM 794 CB ASN A 59 9.279 -0.847 -8.968 1.00 0.00 C ATOM 795 CG ASN A 59 8.110 -1.564 -8.289 1.00 0.00 C ATOM 796 OD1 ASN A 59 8.221 -2.716 -7.919 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.985 -0.928 -8.108 1.00 0.00 N ATOM 0 H ASN A 59 11.287 0.586 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 59 8.486 1.157 -8.943 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.168 -0.893 -10.051 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.217 -1.345 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.200 -1.398 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.890 0.039 -8.418 1.00 0.00 H new ATOM 804 N TYR A 60 10.275 1.059 -6.316 1.00 0.00 N ATOM 805 CA TYR A 60 10.231 1.131 -4.828 1.00 0.00 C ATOM 806 C TYR A 60 10.615 2.537 -4.360 1.00 0.00 C ATOM 807 O TYR A 60 11.035 2.730 -3.235 1.00 0.00 O ATOM 808 CB TYR A 60 11.210 0.113 -4.246 1.00 0.00 C ATOM 809 CG TYR A 60 10.822 -1.284 -4.734 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.682 -1.899 -4.258 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.601 -1.944 -5.660 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.328 -3.157 -4.700 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.246 -3.202 -6.104 1.00 0.00 C ATOM 814 CZ TYR A 60 10.107 -3.818 -5.628 1.00 0.00 C ATOM 815 OH TYR A 60 9.751 -5.075 -6.073 1.00 0.00 O ATOM 0 H TYR A 60 11.162 1.333 -6.739 1.00 0.00 H new ATOM 0 HA TYR A 60 9.220 0.907 -4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.228 0.351 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.190 0.151 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.062 -1.391 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.495 -1.474 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.435 -3.628 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.865 -3.708 -6.830 1.00 0.00 H new ATOM 0 HH TYR A 60 10.411 -5.390 -6.725 1.00 0.00 H new ATOM 825 N VAL A 61 10.471 3.519 -5.210 1.00 0.00 N ATOM 826 CA VAL A 61 10.826 4.911 -4.813 1.00 0.00 C ATOM 827 C VAL A 61 9.799 5.882 -5.403 1.00 0.00 C ATOM 828 O VAL A 61 8.759 5.484 -5.887 1.00 0.00 O ATOM 829 CB VAL A 61 12.240 5.250 -5.318 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.192 5.745 -6.771 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.862 6.327 -4.428 1.00 0.00 C ATOM 0 H VAL A 61 10.122 3.416 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 61 10.815 4.999 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 61 12.849 4.347 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.201 5.979 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.768 4.968 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.573 6.640 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.863 6.564 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.244 7.224 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.923 5.961 -3.403 1.00 0.00 H new ATOM 841 N ALA A 62 10.087 7.148 -5.365 1.00 0.00 N ATOM 842 CA ALA A 62 9.134 8.151 -5.922 1.00 0.00 C ATOM 843 C ALA A 62 9.517 9.551 -5.429 1.00 0.00 C ATOM 844 O ALA A 62 10.001 9.707 -4.326 1.00 0.00 O ATOM 845 CB ALA A 62 7.715 7.818 -5.457 1.00 0.00 C ATOM 0 H ALA A 62 10.944 7.537 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 62 9.176 8.126 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.018 8.550 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.441 6.823 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.674 7.843 -4.368 1.00 0.00 H new ATOM 851 N PRO A 63 9.288 10.533 -6.268 1.00 0.00 N ATOM 852 CA PRO A 63 9.602 11.934 -5.940 1.00 0.00 C ATOM 853 C PRO A 63 8.780 12.391 -4.732 1.00 0.00 C ATOM 854 O PRO A 63 7.569 12.483 -4.791 1.00 0.00 O ATOM 855 CB PRO A 63 9.206 12.730 -7.192 1.00 0.00 C ATOM 856 CG PRO A 63 8.628 11.726 -8.224 1.00 0.00 C ATOM 857 CD PRO A 63 8.699 10.322 -7.603 1.00 0.00 C ATOM 0 HA PRO A 63 10.651 12.074 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.467 13.492 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.071 13.248 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.598 11.983 -8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.197 11.762 -9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.710 9.870 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.313 9.653 -8.206 1.00 0.00 H new ATOM 865 N SER A 64 9.426 12.678 -3.636 1.00 0.00 N ATOM 866 CA SER A 64 8.683 13.127 -2.426 1.00 0.00 C ATOM 867 C SER A 64 7.442 12.251 -2.235 1.00 0.00 C ATOM 868 O SER A 64 6.540 12.682 -1.536 1.00 0.00 O ATOM 869 CB SER A 64 8.255 14.586 -2.604 1.00 0.00 C ATOM 870 OG SER A 64 9.298 15.441 -2.163 1.00 0.00 O ATOM 871 OXT SER A 64 7.416 11.166 -2.791 1.00 0.00 O ATOM 0 H SER A 64 10.438 12.621 -3.526 1.00 0.00 H new ATOM 0 HA SER A 64 9.327 13.041 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.026 14.784 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.345 14.781 -2.036 1.00 0.00 H new ATOM 0 HG SER A 64 9.026 16.375 -2.278 1.00 0.00 H new