USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=0.000446 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -19:sc= 0.709 USER MOD Single : A 9 SER OG : rot 67:sc= 0.976 USER MOD Single : A 14 TYR OH : rot 15:sc= -1.04 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.61) USER MOD Single : A 25 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.56) USER MOD Single : A 27 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.96) USER MOD Single : A 30 GLN : amide:sc= -0.158 K(o=-0.16,f=-5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc=-0.00986 X(o=-0.0099,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.23 K(o=-1.2,f=-16!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.15 K(o=-1.1,f=-1.9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 83 SER OG : rot 180:sc= -0.039 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.731 -0.873 12.704 1.00 0.00 N ATOM 2 CA GLY A 1 -9.171 0.466 12.634 1.00 0.00 C ATOM 3 C GLY A 1 -10.031 1.375 11.754 1.00 0.00 C ATOM 4 O GLY A 1 -11.213 1.573 12.029 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.129 -1.470 13.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.689 -0.828 13.107 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.776 -1.281 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.099 0.887 13.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.158 0.420 12.235 1.00 0.00 H new ATOM 8 N SER A 2 -9.403 1.904 10.714 1.00 0.00 N ATOM 9 CA SER A 2 -10.096 2.788 9.792 1.00 0.00 C ATOM 10 C SER A 2 -9.410 2.761 8.426 1.00 0.00 C ATOM 11 O SER A 2 -8.505 3.553 8.166 1.00 0.00 O ATOM 12 CB SER A 2 -10.146 4.219 10.333 1.00 0.00 C ATOM 13 OG SER A 2 -11.464 4.598 10.720 1.00 0.00 O ATOM 0 H SER A 2 -8.422 1.737 10.489 1.00 0.00 H new ATOM 0 HA SER A 2 -11.121 2.433 9.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.478 4.306 11.190 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.780 4.907 9.571 1.00 0.00 H new ATOM 0 HG SER A 2 -11.453 5.517 11.061 1.00 0.00 H new ATOM 19 N SER A 3 -9.866 1.842 7.588 1.00 0.00 N ATOM 20 CA SER A 3 -9.307 1.701 6.254 1.00 0.00 C ATOM 21 C SER A 3 -10.161 2.471 5.245 1.00 0.00 C ATOM 22 O SER A 3 -9.669 3.378 4.574 1.00 0.00 O ATOM 23 CB SER A 3 -9.207 0.229 5.851 1.00 0.00 C ATOM 24 OG SER A 3 -10.425 -0.473 6.087 1.00 0.00 O ATOM 0 H SER A 3 -10.617 1.187 7.807 1.00 0.00 H new ATOM 0 HA SER A 3 -8.299 2.117 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.947 0.159 4.795 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.401 -0.246 6.410 1.00 0.00 H new ATOM 0 HG SER A 3 -10.321 -1.409 5.815 1.00 0.00 H new ATOM 30 N GLY A 4 -11.425 2.082 5.168 1.00 0.00 N ATOM 31 CA GLY A 4 -12.352 2.724 4.252 1.00 0.00 C ATOM 32 C GLY A 4 -12.550 4.197 4.616 1.00 0.00 C ATOM 33 O GLY A 4 -12.338 5.080 3.786 1.00 0.00 O ATOM 0 H GLY A 4 -11.829 1.330 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.975 2.645 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.311 2.207 4.278 1.00 0.00 H new ATOM 37 N SER A 5 -12.955 4.417 5.859 1.00 0.00 N ATOM 38 CA SER A 5 -13.184 5.768 6.343 1.00 0.00 C ATOM 39 C SER A 5 -12.074 6.697 5.848 1.00 0.00 C ATOM 40 O SER A 5 -12.350 7.763 5.300 1.00 0.00 O ATOM 41 CB SER A 5 -13.261 5.799 7.871 1.00 0.00 C ATOM 42 OG SER A 5 -13.674 7.073 8.358 1.00 0.00 O ATOM 0 H SER A 5 -13.130 3.683 6.545 1.00 0.00 H new ATOM 0 HA SER A 5 -14.140 6.115 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.959 5.036 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.285 5.550 8.288 1.00 0.00 H new ATOM 0 HG SER A 5 -13.713 7.052 9.337 1.00 0.00 H new ATOM 48 N SER A 6 -10.842 6.259 6.059 1.00 0.00 N ATOM 49 CA SER A 6 -9.689 7.038 5.641 1.00 0.00 C ATOM 50 C SER A 6 -9.680 7.184 4.118 1.00 0.00 C ATOM 51 O SER A 6 -9.483 8.280 3.597 1.00 0.00 O ATOM 52 CB SER A 6 -8.386 6.394 6.121 1.00 0.00 C ATOM 53 OG SER A 6 -8.287 5.029 5.724 1.00 0.00 O ATOM 0 H SER A 6 -10.617 5.374 6.514 1.00 0.00 H new ATOM 0 HA SER A 6 -9.762 8.027 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.538 6.950 5.721 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.327 6.461 7.207 1.00 0.00 H new ATOM 0 HG SER A 6 -9.177 4.690 5.492 1.00 0.00 H new ATOM 59 N GLY A 7 -9.895 6.062 3.447 1.00 0.00 N ATOM 60 CA GLY A 7 -9.914 6.051 1.994 1.00 0.00 C ATOM 61 C GLY A 7 -10.811 7.165 1.449 1.00 0.00 C ATOM 62 O GLY A 7 -10.566 7.688 0.364 1.00 0.00 O ATOM 0 H GLY A 7 -10.058 5.154 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.901 6.176 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.272 5.085 1.639 1.00 0.00 H new ATOM 66 N ALA A 8 -11.831 7.494 2.228 1.00 0.00 N ATOM 67 CA ALA A 8 -12.765 8.536 1.837 1.00 0.00 C ATOM 68 C ALA A 8 -12.217 9.896 2.275 1.00 0.00 C ATOM 69 O ALA A 8 -12.542 10.921 1.678 1.00 0.00 O ATOM 70 CB ALA A 8 -14.140 8.240 2.438 1.00 0.00 C ATOM 0 H ALA A 8 -12.031 7.057 3.128 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.882 8.561 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.841 9.021 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.497 7.277 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.063 8.210 3.525 1.00 0.00 H new ATOM 76 N SER A 9 -11.397 9.861 3.315 1.00 0.00 N ATOM 77 CA SER A 9 -10.801 11.078 3.840 1.00 0.00 C ATOM 78 C SER A 9 -9.596 11.481 2.987 1.00 0.00 C ATOM 79 O SER A 9 -9.316 12.668 2.824 1.00 0.00 O ATOM 80 CB SER A 9 -10.382 10.901 5.300 1.00 0.00 C ATOM 81 OG SER A 9 -11.401 10.276 6.076 1.00 0.00 O ATOM 0 H SER A 9 -11.131 9.009 3.808 1.00 0.00 H new ATOM 0 HA SER A 9 -11.549 11.870 3.799 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.473 10.302 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.145 11.874 5.730 1.00 0.00 H new ATOM 0 HG SER A 9 -11.516 9.349 5.780 1.00 0.00 H new ATOM 87 N LEU A 10 -8.916 10.471 2.466 1.00 0.00 N ATOM 88 CA LEU A 10 -7.748 10.705 1.635 1.00 0.00 C ATOM 89 C LEU A 10 -8.097 11.722 0.546 1.00 0.00 C ATOM 90 O LEU A 10 -7.224 12.435 0.054 1.00 0.00 O ATOM 91 CB LEU A 10 -7.205 9.382 1.089 1.00 0.00 C ATOM 92 CG LEU A 10 -6.644 8.408 2.127 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.354 7.044 1.499 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.412 8.994 2.820 1.00 0.00 C ATOM 0 H LEU A 10 -9.152 9.488 2.603 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.940 11.135 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.005 8.881 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.419 9.605 0.367 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.402 8.254 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.956 6.371 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.275 6.628 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.623 7.160 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.033 8.281 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.639 9.197 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.684 9.922 3.323 1.00 0.00 H new ATOM 106 N LEU A 11 -9.376 11.756 0.202 1.00 0.00 N ATOM 107 CA LEU A 11 -9.852 12.673 -0.819 1.00 0.00 C ATOM 108 C LEU A 11 -9.762 14.107 -0.293 1.00 0.00 C ATOM 109 O LEU A 11 -9.485 15.035 -1.052 1.00 0.00 O ATOM 110 CB LEU A 11 -11.255 12.277 -1.285 1.00 0.00 C ATOM 111 CG LEU A 11 -11.384 10.890 -1.919 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.790 10.323 -1.716 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.987 10.925 -3.397 1.00 0.00 C ATOM 0 H LEU A 11 -10.097 11.163 0.612 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.219 12.617 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.928 12.328 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.600 13.018 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.690 10.217 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.855 9.337 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.998 10.240 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.520 10.987 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.087 9.927 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.638 11.616 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.953 11.256 -3.488 1.00 0.00 H new ATOM 125 N ALA A 12 -10.000 14.244 1.003 1.00 0.00 N ATOM 126 CA ALA A 12 -9.949 15.549 1.640 1.00 0.00 C ATOM 127 C ALA A 12 -8.530 15.808 2.148 1.00 0.00 C ATOM 128 O ALA A 12 -8.025 16.926 2.047 1.00 0.00 O ATOM 129 CB ALA A 12 -10.990 15.611 2.760 1.00 0.00 C ATOM 0 H ALA A 12 -10.229 13.472 1.630 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.192 16.335 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.952 16.590 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.984 15.449 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.777 14.838 3.498 1.00 0.00 H new ATOM 135 N ARG A 13 -7.925 14.758 2.683 1.00 0.00 N ATOM 136 CA ARG A 13 -6.574 14.858 3.207 1.00 0.00 C ATOM 137 C ARG A 13 -5.606 15.285 2.101 1.00 0.00 C ATOM 138 O ARG A 13 -4.870 16.258 2.257 1.00 0.00 O ATOM 139 CB ARG A 13 -6.110 13.523 3.793 1.00 0.00 C ATOM 140 CG ARG A 13 -6.100 13.570 5.323 1.00 0.00 C ATOM 141 CD ARG A 13 -4.668 13.579 5.861 1.00 0.00 C ATOM 142 NE ARG A 13 -4.645 14.147 7.228 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.125 13.519 8.310 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.669 12.300 8.191 1.00 0.00 N ATOM 145 NH2 ARG A 13 -5.062 14.110 9.511 1.00 0.00 N ATOM 0 H ARG A 13 -8.346 13.833 2.765 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.580 15.607 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.770 12.724 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.111 13.288 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.627 14.460 5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.636 12.708 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.269 12.565 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.027 14.166 5.203 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.239 15.074 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.718 11.850 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.034 11.822 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.649 15.038 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.427 13.632 10.335 1.00 0.00 H new ATOM 159 N TYR A 14 -5.640 14.537 1.008 1.00 0.00 N ATOM 160 CA TYR A 14 -4.775 14.825 -0.123 1.00 0.00 C ATOM 161 C TYR A 14 -5.589 15.299 -1.329 1.00 0.00 C ATOM 162 O TYR A 14 -6.779 15.002 -1.434 1.00 0.00 O ATOM 163 CB TYR A 14 -4.085 13.506 -0.475 1.00 0.00 C ATOM 164 CG TYR A 14 -3.196 12.952 0.640 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.733 12.126 1.606 1.00 0.00 C ATOM 166 CD2 TYR A 14 -1.855 13.280 0.680 1.00 0.00 C ATOM 167 CE1 TYR A 14 -2.895 11.605 2.655 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.018 12.759 1.729 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.579 11.947 2.665 1.00 0.00 C ATOM 170 OH TYR A 14 -0.788 11.455 3.656 1.00 0.00 O ATOM 0 H TYR A 14 -6.253 13.732 0.882 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.065 15.613 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.845 12.765 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.480 13.652 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.782 11.870 1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.434 13.927 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.303 10.957 3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.032 13.007 1.772 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.248 10.716 4.106 1.00 0.00 H new ATOM 180 N PRO A 15 -4.899 16.045 -2.232 1.00 0.00 N ATOM 181 CA PRO A 15 -5.545 16.562 -3.426 1.00 0.00 C ATOM 182 C PRO A 15 -5.760 15.453 -4.457 1.00 0.00 C ATOM 183 O PRO A 15 -5.264 14.340 -4.289 1.00 0.00 O ATOM 184 CB PRO A 15 -4.626 17.666 -3.924 1.00 0.00 C ATOM 185 CG PRO A 15 -3.280 17.417 -3.265 1.00 0.00 C ATOM 186 CD PRO A 15 -3.490 16.416 -2.140 1.00 0.00 C ATOM 0 HA PRO A 15 -6.544 16.952 -3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.539 17.642 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.016 18.648 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.565 17.031 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.867 18.348 -2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.843 15.547 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.259 16.856 -1.170 1.00 0.00 H new ATOM 194 N PRO A 16 -6.521 15.804 -5.529 1.00 0.00 N ATOM 195 CA PRO A 16 -6.807 14.850 -6.587 1.00 0.00 C ATOM 196 C PRO A 16 -5.584 14.638 -7.481 1.00 0.00 C ATOM 197 O PRO A 16 -5.444 13.589 -8.109 1.00 0.00 O ATOM 198 CB PRO A 16 -7.994 15.437 -7.334 1.00 0.00 C ATOM 199 CG PRO A 16 -8.033 16.910 -6.962 1.00 0.00 C ATOM 200 CD PRO A 16 -7.124 17.112 -5.761 1.00 0.00 C ATOM 0 HA PRO A 16 -7.044 13.857 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.880 15.309 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.920 14.938 -7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.701 17.524 -7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.052 17.217 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.365 17.868 -5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.687 17.449 -4.890 1.00 0.00 H new ATOM 208 N GLU A 17 -4.729 15.650 -7.509 1.00 0.00 N ATOM 209 CA GLU A 17 -3.522 15.587 -8.315 1.00 0.00 C ATOM 210 C GLU A 17 -2.451 14.758 -7.604 1.00 0.00 C ATOM 211 O GLU A 17 -1.372 14.531 -8.150 1.00 0.00 O ATOM 212 CB GLU A 17 -3.004 16.990 -8.638 1.00 0.00 C ATOM 213 CG GLU A 17 -2.631 17.744 -7.360 1.00 0.00 C ATOM 214 CD GLU A 17 -3.009 19.223 -7.465 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.218 19.511 -7.327 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.082 20.032 -7.681 1.00 0.00 O ATOM 0 H GLU A 17 -4.848 16.518 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.765 15.099 -9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.133 16.919 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.766 17.546 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.140 17.295 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.560 17.651 -7.178 1.00 0.00 H new ATOM 223 N LYS A 18 -2.786 14.329 -6.396 1.00 0.00 N ATOM 224 CA LYS A 18 -1.866 13.530 -5.604 1.00 0.00 C ATOM 225 C LYS A 18 -2.608 12.318 -5.037 1.00 0.00 C ATOM 226 O LYS A 18 -2.128 11.670 -4.109 1.00 0.00 O ATOM 227 CB LYS A 18 -1.190 14.392 -4.536 1.00 0.00 C ATOM 228 CG LYS A 18 -0.698 15.714 -5.128 1.00 0.00 C ATOM 229 CD LYS A 18 0.027 16.551 -4.074 1.00 0.00 C ATOM 230 CE LYS A 18 0.761 17.729 -4.718 1.00 0.00 C ATOM 231 NZ LYS A 18 0.942 18.825 -3.739 1.00 0.00 N ATOM 0 H LYS A 18 -3.682 14.520 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.059 13.147 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.892 14.591 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.350 13.849 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.027 15.515 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.544 16.276 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.691 16.922 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.738 15.926 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.732 17.401 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.197 18.091 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.442 19.616 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.012 19.149 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.500 18.481 -2.931 1.00 0.00 H new ATOM 245 N LEU A 19 -3.767 12.048 -5.620 1.00 0.00 N ATOM 246 CA LEU A 19 -4.580 10.925 -5.185 1.00 0.00 C ATOM 247 C LEU A 19 -4.383 9.754 -6.149 1.00 0.00 C ATOM 248 O LEU A 19 -4.814 9.813 -7.299 1.00 0.00 O ATOM 249 CB LEU A 19 -6.041 11.351 -5.026 1.00 0.00 C ATOM 250 CG LEU A 19 -6.458 11.810 -3.627 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.773 12.590 -3.674 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.527 10.626 -2.660 1.00 0.00 C ATOM 0 H LEU A 19 -4.162 12.588 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.262 10.584 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.241 12.161 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.676 10.514 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.695 12.490 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.046 12.904 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.652 13.469 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.559 11.954 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.825 10.979 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.257 9.902 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.548 10.152 -2.595 1.00 0.00 H new ATOM 264 N PHE A 20 -3.731 8.717 -5.644 1.00 0.00 N ATOM 265 CA PHE A 20 -3.471 7.534 -6.446 1.00 0.00 C ATOM 266 C PHE A 20 -3.936 6.268 -5.723 1.00 0.00 C ATOM 267 O PHE A 20 -3.822 6.169 -4.503 1.00 0.00 O ATOM 268 CB PHE A 20 -1.957 7.459 -6.657 1.00 0.00 C ATOM 269 CG PHE A 20 -1.411 8.509 -7.627 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.401 8.260 -8.964 1.00 0.00 C ATOM 271 CD2 PHE A 20 -0.937 9.692 -7.152 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.894 9.234 -9.864 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.431 10.667 -8.052 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.420 10.417 -9.389 1.00 0.00 C ATOM 0 H PHE A 20 -3.375 8.672 -4.689 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.011 7.600 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.460 7.576 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.701 6.467 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.779 7.321 -9.341 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.945 9.890 -6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.885 9.036 -10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.055 11.607 -7.675 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.035 11.158 -10.074 1.00 0.00 H new ATOM 284 N GLN A 21 -4.450 5.332 -6.508 1.00 0.00 N ATOM 285 CA GLN A 21 -4.933 4.077 -5.958 1.00 0.00 C ATOM 286 C GLN A 21 -3.982 2.936 -6.324 1.00 0.00 C ATOM 287 O GLN A 21 -3.098 3.105 -7.162 1.00 0.00 O ATOM 288 CB GLN A 21 -6.355 3.780 -6.436 1.00 0.00 C ATOM 289 CG GLN A 21 -7.117 2.943 -5.406 1.00 0.00 C ATOM 290 CD GLN A 21 -8.626 3.015 -5.648 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.106 2.935 -6.767 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.344 3.170 -4.540 1.00 0.00 N ATOM 0 H GLN A 21 -4.542 5.418 -7.520 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.961 4.166 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.885 4.716 -6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.319 3.248 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.786 1.906 -5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.889 3.300 -4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.878 3.230 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.361 3.229 -4.595 1.00 0.00 H new ATOM 301 N ALA A 22 -4.195 1.799 -5.678 1.00 0.00 N ATOM 302 CA ALA A 22 -3.368 0.631 -5.925 1.00 0.00 C ATOM 303 C ALA A 22 -3.895 -0.111 -7.155 1.00 0.00 C ATOM 304 O ALA A 22 -4.969 -0.708 -7.111 1.00 0.00 O ATOM 305 CB ALA A 22 -3.346 -0.253 -4.676 1.00 0.00 C ATOM 0 H ALA A 22 -4.929 1.662 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.340 0.926 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.725 -1.130 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.936 0.311 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.361 -0.571 -4.437 1.00 0.00 H new ATOM 311 N GLU A 23 -3.114 -0.048 -8.224 1.00 0.00 N ATOM 312 CA GLU A 23 -3.489 -0.706 -9.464 1.00 0.00 C ATOM 313 C GLU A 23 -3.808 -2.180 -9.207 1.00 0.00 C ATOM 314 O GLU A 23 -4.801 -2.701 -9.712 1.00 0.00 O ATOM 315 CB GLU A 23 -2.388 -0.559 -10.516 1.00 0.00 C ATOM 316 CG GLU A 23 -2.698 0.590 -11.477 1.00 0.00 C ATOM 317 CD GLU A 23 -2.307 0.227 -12.911 1.00 0.00 C ATOM 318 OE1 GLU A 23 -1.086 0.182 -13.172 1.00 0.00 O ATOM 319 OE2 GLU A 23 -3.239 0.004 -13.714 1.00 0.00 O ATOM 0 H GLU A 23 -2.224 0.448 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.385 -0.223 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.432 -0.379 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.288 -1.489 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.761 0.827 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.160 1.485 -11.165 1.00 0.00 H new ATOM 326 N ARG A 24 -2.948 -2.811 -8.421 1.00 0.00 N ATOM 327 CA ARG A 24 -3.126 -4.215 -8.091 1.00 0.00 C ATOM 328 C ARG A 24 -2.684 -4.482 -6.651 1.00 0.00 C ATOM 329 O ARG A 24 -2.189 -3.583 -5.973 1.00 0.00 O ATOM 330 CB ARG A 24 -2.324 -5.110 -9.038 1.00 0.00 C ATOM 331 CG ARG A 24 -0.903 -4.574 -9.226 1.00 0.00 C ATOM 332 CD ARG A 24 -0.270 -5.136 -10.500 1.00 0.00 C ATOM 333 NE ARG A 24 0.967 -5.878 -10.166 1.00 0.00 N ATOM 334 CZ ARG A 24 1.739 -6.496 -11.069 1.00 0.00 C ATOM 335 NH1 ARG A 24 1.407 -6.467 -12.367 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.844 -7.145 -10.675 1.00 0.00 N ATOM 0 H ARG A 24 -2.126 -2.376 -8.003 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.185 -4.449 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.284 -6.124 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.826 -5.166 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.925 -3.485 -9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.292 -4.841 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.975 -5.796 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.042 -4.325 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 24 1.249 -5.921 -9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.566 -5.974 -12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.995 -6.938 -13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.097 -7.168 -9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.432 -7.616 -11.363 1.00 0.00 H new ATOM 350 N ASN A 25 -2.878 -5.722 -6.226 1.00 0.00 N ATOM 351 CA ASN A 25 -2.505 -6.118 -4.879 1.00 0.00 C ATOM 352 C ASN A 25 -0.984 -6.036 -4.730 1.00 0.00 C ATOM 353 O ASN A 25 -0.264 -6.929 -5.176 1.00 0.00 O ATOM 354 CB ASN A 25 -2.931 -7.559 -4.591 1.00 0.00 C ATOM 355 CG ASN A 25 -4.143 -7.597 -3.658 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.165 -8.291 -2.655 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.146 -6.814 -4.042 1.00 0.00 N ATOM 0 H ASN A 25 -3.289 -6.465 -6.791 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.005 -5.447 -4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.172 -8.065 -5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.102 -8.103 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.000 -6.769 -3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.062 -6.258 -4.893 1.00 0.00 H new ATOM 364 N PHE A 26 -0.540 -4.958 -4.102 1.00 0.00 N ATOM 365 CA PHE A 26 0.882 -4.748 -3.889 1.00 0.00 C ATOM 366 C PHE A 26 1.356 -5.455 -2.618 1.00 0.00 C ATOM 367 O PHE A 26 0.660 -5.450 -1.604 1.00 0.00 O ATOM 368 CB PHE A 26 1.092 -3.241 -3.728 1.00 0.00 C ATOM 369 CG PHE A 26 2.555 -2.833 -3.543 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.182 -3.071 -2.360 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.228 -2.232 -4.560 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.540 -2.693 -2.187 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.586 -1.854 -4.388 1.00 0.00 C ATOM 374 CZ PHE A 26 5.213 -2.092 -3.205 1.00 0.00 C ATOM 0 H PHE A 26 -1.140 -4.220 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 26 1.448 -5.151 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.692 -2.733 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.517 -2.894 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.647 -3.548 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.730 -2.042 -5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.038 -2.883 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.121 -1.378 -5.196 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.246 -1.804 -3.074 1.00 0.00 H new ATOM 384 N ASN A 27 2.538 -6.046 -2.714 1.00 0.00 N ATOM 385 CA ASN A 27 3.113 -6.756 -1.585 1.00 0.00 C ATOM 386 C ASN A 27 4.420 -6.075 -1.172 1.00 0.00 C ATOM 387 O ASN A 27 5.294 -5.844 -2.006 1.00 0.00 O ATOM 388 CB ASN A 27 3.432 -8.207 -1.951 1.00 0.00 C ATOM 389 CG ASN A 27 4.287 -8.278 -3.217 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.820 -8.073 -4.326 1.00 0.00 O ATOM 391 ND2 ASN A 27 5.563 -8.579 -2.993 1.00 0.00 N ATOM 0 H ASN A 27 3.113 -6.047 -3.557 1.00 0.00 H new ATOM 0 HA ASN A 27 2.387 -6.740 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.958 -8.687 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.505 -8.760 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.215 -8.650 -3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.890 -8.739 -2.040 1.00 0.00 H new ATOM 398 N ALA A 28 4.511 -5.773 0.115 1.00 0.00 N ATOM 399 CA ALA A 28 5.696 -5.123 0.649 1.00 0.00 C ATOM 400 C ALA A 28 6.909 -6.032 0.440 1.00 0.00 C ATOM 401 O ALA A 28 6.909 -7.182 0.876 1.00 0.00 O ATOM 402 CB ALA A 28 5.471 -4.781 2.123 1.00 0.00 C ATOM 0 H ALA A 28 3.784 -5.966 0.803 1.00 0.00 H new ATOM 0 HA ALA A 28 5.890 -4.188 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.360 -4.294 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.617 -4.110 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.276 -5.696 2.683 1.00 0.00 H new ATOM 408 N ALA A 29 7.913 -5.482 -0.226 1.00 0.00 N ATOM 409 CA ALA A 29 9.130 -6.229 -0.498 1.00 0.00 C ATOM 410 C ALA A 29 10.258 -5.697 0.387 1.00 0.00 C ATOM 411 O ALA A 29 11.025 -6.473 0.955 1.00 0.00 O ATOM 412 CB ALA A 29 9.464 -6.137 -1.988 1.00 0.00 C ATOM 0 H ALA A 29 7.909 -4.528 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 29 8.994 -7.284 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.377 -6.697 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.644 -6.555 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.610 -5.093 -2.264 1.00 0.00 H new ATOM 418 N GLN A 30 10.325 -4.376 0.476 1.00 0.00 N ATOM 419 CA GLN A 30 11.347 -3.731 1.282 1.00 0.00 C ATOM 420 C GLN A 30 10.776 -3.334 2.645 1.00 0.00 C ATOM 421 O GLN A 30 9.635 -3.664 2.964 1.00 0.00 O ATOM 422 CB GLN A 30 11.931 -2.517 0.557 1.00 0.00 C ATOM 423 CG GLN A 30 13.085 -2.928 -0.359 1.00 0.00 C ATOM 424 CD GLN A 30 13.078 -2.108 -1.651 1.00 0.00 C ATOM 425 OE1 GLN A 30 14.032 -1.427 -1.990 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.951 -2.210 -2.351 1.00 0.00 N ATOM 0 H GLN A 30 9.688 -3.735 0.003 1.00 0.00 H new ATOM 0 HA GLN A 30 12.158 -4.441 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.152 -2.030 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.283 -1.788 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.033 -2.788 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.005 -3.989 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.190 -2.798 -2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.848 -1.700 -3.228 1.00 0.00 H new ATOM 435 N ASP A 31 11.596 -2.632 3.413 1.00 0.00 N ATOM 436 CA ASP A 31 11.187 -2.187 4.734 1.00 0.00 C ATOM 437 C ASP A 31 10.371 -0.899 4.604 1.00 0.00 C ATOM 438 O ASP A 31 9.625 -0.538 5.512 1.00 0.00 O ATOM 439 CB ASP A 31 12.402 -1.889 5.615 1.00 0.00 C ATOM 440 CG ASP A 31 12.121 -1.872 7.119 1.00 0.00 C ATOM 441 OD1 ASP A 31 10.945 -1.641 7.474 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.089 -2.091 7.880 1.00 0.00 O ATOM 0 H ASP A 31 12.542 -2.360 3.145 1.00 0.00 H new ATOM 0 HA ASP A 31 10.597 -2.982 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.171 -2.635 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.813 -0.922 5.326 1.00 0.00 H new ATOM 447 N LEU A 32 10.540 -0.242 3.466 1.00 0.00 N ATOM 448 CA LEU A 32 9.829 0.998 3.205 1.00 0.00 C ATOM 449 C LEU A 32 8.533 0.688 2.453 1.00 0.00 C ATOM 450 O LEU A 32 7.682 1.561 2.290 1.00 0.00 O ATOM 451 CB LEU A 32 10.736 1.994 2.481 1.00 0.00 C ATOM 452 CG LEU A 32 12.082 2.284 3.149 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.959 3.163 2.256 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.885 2.894 4.538 1.00 0.00 C ATOM 0 H LEU A 32 11.159 -0.545 2.714 1.00 0.00 H new ATOM 0 HA LEU A 32 9.548 1.481 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.925 1.618 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.196 2.935 2.373 1.00 0.00 H new ATOM 0 HG LEU A 32 12.607 1.338 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.909 3.354 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.141 2.653 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.452 4.109 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.857 3.090 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.331 3.828 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.327 2.199 5.165 1.00 0.00 H new ATOM 466 N ASP A 33 8.423 -0.558 2.016 1.00 0.00 N ATOM 467 CA ASP A 33 7.245 -0.994 1.286 1.00 0.00 C ATOM 468 C ASP A 33 6.217 -1.554 2.271 1.00 0.00 C ATOM 469 O ASP A 33 6.580 -2.215 3.243 1.00 0.00 O ATOM 470 CB ASP A 33 7.593 -2.099 0.287 1.00 0.00 C ATOM 471 CG ASP A 33 8.629 -1.712 -0.770 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.379 -0.748 -0.504 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.648 -2.389 -1.821 1.00 0.00 O ATOM 0 H ASP A 33 9.131 -1.280 2.154 1.00 0.00 H new ATOM 0 HA ASP A 33 6.845 -0.134 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.964 -2.963 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.679 -2.412 -0.219 1.00 0.00 H new ATOM 478 N VAL A 34 4.955 -1.270 1.986 1.00 0.00 N ATOM 479 CA VAL A 34 3.872 -1.737 2.835 1.00 0.00 C ATOM 480 C VAL A 34 2.773 -2.348 1.964 1.00 0.00 C ATOM 481 O VAL A 34 2.414 -1.788 0.929 1.00 0.00 O ATOM 482 CB VAL A 34 3.369 -0.593 3.718 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.519 0.326 4.133 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.263 0.196 3.015 1.00 0.00 C ATOM 0 H VAL A 34 4.658 -0.722 1.179 1.00 0.00 H new ATOM 0 HA VAL A 34 4.224 -2.519 3.508 1.00 0.00 H new ATOM 0 HB VAL A 34 2.946 -1.029 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.134 1.130 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.259 -0.247 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.985 0.750 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.923 1.003 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.649 0.615 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.427 -0.468 2.793 1.00 0.00 H new ATOM 494 N SER A 35 2.270 -3.488 2.414 1.00 0.00 N ATOM 495 CA SER A 35 1.219 -4.181 1.688 1.00 0.00 C ATOM 496 C SER A 35 0.056 -3.226 1.413 1.00 0.00 C ATOM 497 O SER A 35 -0.308 -2.423 2.271 1.00 0.00 O ATOM 498 CB SER A 35 0.729 -5.405 2.463 1.00 0.00 C ATOM 499 OG SER A 35 1.793 -6.303 2.772 1.00 0.00 O ATOM 0 H SER A 35 2.571 -3.949 3.273 1.00 0.00 H new ATOM 0 HA SER A 35 1.629 -4.526 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.248 -5.081 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.027 -5.927 1.876 1.00 0.00 H new ATOM 0 HG SER A 35 1.440 -7.070 3.268 1.00 0.00 H new ATOM 505 N LEU A 36 -0.495 -3.345 0.214 1.00 0.00 N ATOM 506 CA LEU A 36 -1.610 -2.502 -0.184 1.00 0.00 C ATOM 507 C LEU A 36 -2.610 -3.334 -0.990 1.00 0.00 C ATOM 508 O LEU A 36 -2.234 -4.316 -1.628 1.00 0.00 O ATOM 509 CB LEU A 36 -1.106 -1.261 -0.923 1.00 0.00 C ATOM 510 CG LEU A 36 -0.386 -0.216 -0.067 1.00 0.00 C ATOM 511 CD1 LEU A 36 0.185 0.905 -0.937 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.307 0.321 1.030 1.00 0.00 C ATOM 0 H LEU A 36 -0.190 -4.012 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.138 -2.129 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.428 -1.584 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.956 -0.781 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 36 0.456 -0.699 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.691 1.634 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.896 0.486 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.625 1.394 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.772 1.062 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.183 0.784 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.624 -0.500 1.673 1.00 0.00 H new ATOM 524 N LEU A 37 -3.864 -2.910 -0.933 1.00 0.00 N ATOM 525 CA LEU A 37 -4.921 -3.604 -1.650 1.00 0.00 C ATOM 526 C LEU A 37 -5.245 -2.840 -2.936 1.00 0.00 C ATOM 527 O LEU A 37 -5.306 -1.612 -2.934 1.00 0.00 O ATOM 528 CB LEU A 37 -6.132 -3.820 -0.741 1.00 0.00 C ATOM 529 CG LEU A 37 -5.979 -4.897 0.335 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.311 -5.159 1.042 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.381 -6.177 -0.252 1.00 0.00 C ATOM 0 H LEU A 37 -4.172 -2.095 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.592 -4.600 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.366 -2.875 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.988 -4.077 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.281 -4.531 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.174 -5.928 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.659 -4.240 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.049 -5.495 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.283 -6.926 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.035 -6.558 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.399 -5.960 -0.672 1.00 0.00 H new ATOM 543 N GLU A 38 -5.445 -3.600 -4.002 1.00 0.00 N ATOM 544 CA GLU A 38 -5.762 -3.010 -5.292 1.00 0.00 C ATOM 545 C GLU A 38 -6.879 -1.975 -5.143 1.00 0.00 C ATOM 546 O GLU A 38 -7.037 -1.100 -5.992 1.00 0.00 O ATOM 547 CB GLU A 38 -6.146 -4.088 -6.308 1.00 0.00 C ATOM 548 CG GLU A 38 -7.234 -5.007 -5.749 1.00 0.00 C ATOM 549 CD GLU A 38 -7.686 -6.024 -6.799 1.00 0.00 C ATOM 550 OE1 GLU A 38 -6.793 -6.693 -7.362 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.914 -6.109 -7.014 1.00 0.00 O ATOM 0 H GLU A 38 -5.394 -4.619 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.872 -2.504 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.499 -3.618 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.266 -4.677 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.857 -5.530 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.087 -4.411 -5.424 1.00 0.00 H new ATOM 558 N GLY A 39 -7.626 -2.110 -4.057 1.00 0.00 N ATOM 559 CA GLY A 39 -8.723 -1.198 -3.785 1.00 0.00 C ATOM 560 C GLY A 39 -8.285 -0.079 -2.838 1.00 0.00 C ATOM 561 O GLY A 39 -8.861 1.008 -2.847 1.00 0.00 O ATOM 0 H GLY A 39 -7.493 -2.838 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.083 -0.768 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.556 -1.746 -3.345 1.00 0.00 H new ATOM 565 N ASP A 40 -7.268 -0.383 -2.045 1.00 0.00 N ATOM 566 CA ASP A 40 -6.745 0.584 -1.094 1.00 0.00 C ATOM 567 C ASP A 40 -6.384 1.874 -1.833 1.00 0.00 C ATOM 568 O ASP A 40 -5.832 1.831 -2.931 1.00 0.00 O ATOM 569 CB ASP A 40 -5.480 0.058 -0.414 1.00 0.00 C ATOM 570 CG ASP A 40 -5.725 -0.836 0.804 1.00 0.00 C ATOM 571 OD1 ASP A 40 -6.910 -0.983 1.171 1.00 0.00 O ATOM 572 OD2 ASP A 40 -4.720 -1.353 1.339 1.00 0.00 O ATOM 0 H ASP A 40 -6.792 -1.285 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.511 0.765 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.898 -0.502 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.871 0.908 -0.106 1.00 0.00 H new ATOM 577 N LEU A 41 -6.709 2.991 -1.199 1.00 0.00 N ATOM 578 CA LEU A 41 -6.425 4.292 -1.782 1.00 0.00 C ATOM 579 C LEU A 41 -5.304 4.968 -0.990 1.00 0.00 C ATOM 580 O LEU A 41 -5.147 4.719 0.204 1.00 0.00 O ATOM 581 CB LEU A 41 -7.703 5.128 -1.875 1.00 0.00 C ATOM 582 CG LEU A 41 -7.650 6.332 -2.817 1.00 0.00 C ATOM 583 CD1 LEU A 41 -6.914 7.505 -2.167 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.038 5.947 -4.165 1.00 0.00 C ATOM 0 H LEU A 41 -7.166 3.022 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.069 4.181 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.517 4.477 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.954 5.484 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.671 6.660 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.891 8.348 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.432 7.799 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.894 7.206 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.012 6.821 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.024 5.578 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.641 5.167 -4.629 1.00 0.00 H new ATOM 596 N VAL A 42 -4.555 5.809 -1.687 1.00 0.00 N ATOM 597 CA VAL A 42 -3.453 6.522 -1.063 1.00 0.00 C ATOM 598 C VAL A 42 -3.252 7.863 -1.774 1.00 0.00 C ATOM 599 O VAL A 42 -3.727 8.054 -2.892 1.00 0.00 O ATOM 600 CB VAL A 42 -2.196 5.650 -1.066 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.475 4.285 -0.433 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.641 5.494 -2.483 1.00 0.00 C ATOM 0 H VAL A 42 -4.689 6.013 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.680 6.737 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.439 6.151 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.565 3.684 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.803 4.422 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.256 3.775 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.748 4.870 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.393 5.026 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.387 6.475 -2.884 1.00 0.00 H new ATOM 612 N GLY A 43 -2.548 8.756 -1.094 1.00 0.00 N ATOM 613 CA GLY A 43 -2.278 10.073 -1.646 1.00 0.00 C ATOM 614 C GLY A 43 -0.773 10.336 -1.728 1.00 0.00 C ATOM 615 O GLY A 43 -0.118 10.535 -0.706 1.00 0.00 O ATOM 0 H GLY A 43 -2.156 8.594 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.719 10.152 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.751 10.835 -1.026 1.00 0.00 H new ATOM 619 N VAL A 44 -0.269 10.327 -2.953 1.00 0.00 N ATOM 620 CA VAL A 44 1.147 10.562 -3.181 1.00 0.00 C ATOM 621 C VAL A 44 1.622 11.701 -2.276 1.00 0.00 C ATOM 622 O VAL A 44 1.011 12.768 -2.242 1.00 0.00 O ATOM 623 CB VAL A 44 1.400 10.832 -4.665 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.654 11.687 -4.861 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.501 9.523 -5.451 1.00 0.00 C ATOM 0 H VAL A 44 -0.815 10.161 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 44 1.728 9.677 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 44 0.549 11.391 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.811 11.864 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.528 12.641 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.518 11.166 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.681 9.743 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.325 8.926 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.569 8.966 -5.351 1.00 0.00 H new ATOM 635 N ILE A 45 2.709 11.435 -1.566 1.00 0.00 N ATOM 636 CA ILE A 45 3.273 12.425 -0.663 1.00 0.00 C ATOM 637 C ILE A 45 4.570 12.973 -1.262 1.00 0.00 C ATOM 638 O ILE A 45 4.681 14.171 -1.520 1.00 0.00 O ATOM 639 CB ILE A 45 3.444 11.836 0.738 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.103 11.768 1.471 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.494 12.612 1.535 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.030 10.531 2.369 1.00 0.00 C ATOM 0 H ILE A 45 3.214 10.549 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 45 2.592 13.268 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 45 3.808 10.814 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.968 12.667 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.289 11.744 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.596 12.172 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.452 12.565 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.183 13.653 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.067 10.507 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.141 9.633 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.830 10.570 3.108 1.00 0.00 H new ATOM 654 N LYS A 46 5.519 12.071 -1.465 1.00 0.00 N ATOM 655 CA LYS A 46 6.804 12.449 -2.029 1.00 0.00 C ATOM 656 C LYS A 46 6.986 11.757 -3.381 1.00 0.00 C ATOM 657 O LYS A 46 6.748 10.557 -3.505 1.00 0.00 O ATOM 658 CB LYS A 46 7.930 12.162 -1.034 1.00 0.00 C ATOM 659 CG LYS A 46 8.436 13.455 -0.390 1.00 0.00 C ATOM 660 CD LYS A 46 9.398 13.155 0.761 1.00 0.00 C ATOM 661 CE LYS A 46 8.635 12.933 2.069 1.00 0.00 C ATOM 662 NZ LYS A 46 8.943 14.009 3.037 1.00 0.00 N ATOM 0 H LYS A 46 5.424 11.079 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 46 6.839 13.523 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.572 11.482 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.752 11.660 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.939 14.066 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.591 14.036 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.988 12.269 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.098 13.982 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.563 12.909 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.903 11.966 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.417 13.843 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.963 14.014 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.665 14.927 2.635 1.00 0.00 H new ATOM 676 N LYS A 47 7.408 12.544 -4.360 1.00 0.00 N ATOM 677 CA LYS A 47 7.626 12.022 -5.698 1.00 0.00 C ATOM 678 C LYS A 47 9.089 11.600 -5.845 1.00 0.00 C ATOM 679 O LYS A 47 9.636 11.615 -6.946 1.00 0.00 O ATOM 680 CB LYS A 47 7.170 13.036 -6.749 1.00 0.00 C ATOM 681 CG LYS A 47 5.668 13.306 -6.637 1.00 0.00 C ATOM 682 CD LYS A 47 5.173 14.148 -7.814 1.00 0.00 C ATOM 683 CE LYS A 47 3.669 13.960 -8.028 1.00 0.00 C ATOM 684 NZ LYS A 47 3.106 15.103 -8.782 1.00 0.00 N ATOM 0 H LYS A 47 7.605 13.539 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 47 7.019 11.131 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.721 13.968 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.402 12.661 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.126 12.361 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.457 13.823 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.389 15.200 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.711 13.866 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.486 13.033 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.167 13.869 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.085 14.960 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.264 15.982 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.573 15.171 -9.709 1.00 0.00 H new ATOM 698 N LYS A 48 9.681 11.233 -4.718 1.00 0.00 N ATOM 699 CA LYS A 48 11.071 10.807 -4.707 1.00 0.00 C ATOM 700 C LYS A 48 11.438 10.317 -3.305 1.00 0.00 C ATOM 701 O LYS A 48 10.912 10.816 -2.311 1.00 0.00 O ATOM 702 CB LYS A 48 11.978 11.925 -5.225 1.00 0.00 C ATOM 703 CG LYS A 48 12.351 12.894 -4.100 1.00 0.00 C ATOM 704 CD LYS A 48 13.822 12.739 -3.709 1.00 0.00 C ATOM 705 CE LYS A 48 14.588 14.045 -3.927 1.00 0.00 C ATOM 706 NZ LYS A 48 15.984 13.913 -3.455 1.00 0.00 N ATOM 0 H LYS A 48 9.224 11.222 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 48 11.218 9.968 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.883 11.495 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.473 12.467 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.162 13.919 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.719 12.710 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.894 12.441 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.277 11.944 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.579 14.306 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.093 14.857 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.489 14.809 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.987 13.685 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.458 13.152 -3.982 1.00 0.00 H new ATOM 720 N ASP A 49 12.338 9.346 -3.270 1.00 0.00 N ATOM 721 CA ASP A 49 12.782 8.782 -2.006 1.00 0.00 C ATOM 722 C ASP A 49 13.889 9.662 -1.421 1.00 0.00 C ATOM 723 O ASP A 49 14.544 10.408 -2.148 1.00 0.00 O ATOM 724 CB ASP A 49 13.350 7.375 -2.200 1.00 0.00 C ATOM 725 CG ASP A 49 12.478 6.436 -3.036 1.00 0.00 C ATOM 726 OD1 ASP A 49 11.362 6.868 -3.397 1.00 0.00 O ATOM 727 OD2 ASP A 49 12.948 5.307 -3.296 1.00 0.00 O ATOM 0 H ASP A 49 12.772 8.935 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 49 11.923 8.735 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.328 7.456 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.507 6.924 -1.220 1.00 0.00 H new ATOM 732 N PRO A 50 14.070 9.542 -0.079 1.00 0.00 N ATOM 733 CA PRO A 50 15.086 10.318 0.612 1.00 0.00 C ATOM 734 C PRO A 50 16.483 9.756 0.340 1.00 0.00 C ATOM 735 O PRO A 50 17.185 9.353 1.266 1.00 0.00 O ATOM 736 CB PRO A 50 14.697 10.257 2.080 1.00 0.00 C ATOM 737 CG PRO A 50 13.752 9.074 2.212 1.00 0.00 C ATOM 738 CD PRO A 50 13.313 8.669 0.814 1.00 0.00 C ATOM 0 HA PRO A 50 15.132 11.352 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.576 10.127 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.212 11.181 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.249 8.243 2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.888 9.342 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.530 7.619 0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.239 8.802 0.682 1.00 0.00 H new ATOM 746 N MET A 51 16.844 9.748 -0.935 1.00 0.00 N ATOM 747 CA MET A 51 18.145 9.243 -1.341 1.00 0.00 C ATOM 748 C MET A 51 18.456 9.629 -2.788 1.00 0.00 C ATOM 749 O MET A 51 19.585 10.002 -3.106 1.00 0.00 O ATOM 750 CB MET A 51 18.166 7.719 -1.204 1.00 0.00 C ATOM 751 CG MET A 51 18.658 7.300 0.183 1.00 0.00 C ATOM 752 SD MET A 51 19.931 6.058 0.030 1.00 0.00 S ATOM 753 CE MET A 51 20.418 5.901 1.740 1.00 0.00 C ATOM 0 H MET A 51 16.259 10.083 -1.700 1.00 0.00 H new ATOM 0 HA MET A 51 18.903 9.686 -0.695 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.166 7.321 -1.374 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.814 7.290 -1.969 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.047 8.167 0.717 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.827 6.910 0.770 1.00 0.00 H new ATOM 0 HE1 MET A 51 21.212 5.159 1.826 1.00 0.00 H new ATOM 0 HE2 MET A 51 20.779 6.862 2.105 1.00 0.00 H new ATOM 0 HE3 MET A 51 19.561 5.586 2.335 1.00 0.00 H new ATOM 763 N GLY A 52 17.436 9.529 -3.627 1.00 0.00 N ATOM 764 CA GLY A 52 17.586 9.863 -5.032 1.00 0.00 C ATOM 765 C GLY A 52 16.962 8.787 -5.922 1.00 0.00 C ATOM 766 O GLY A 52 17.651 8.175 -6.738 1.00 0.00 O ATOM 0 H GLY A 52 16.501 9.221 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.114 10.825 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.644 9.971 -5.273 1.00 0.00 H new ATOM 770 N SER A 53 15.666 8.588 -5.736 1.00 0.00 N ATOM 771 CA SER A 53 14.941 7.596 -6.511 1.00 0.00 C ATOM 772 C SER A 53 13.539 8.111 -6.841 1.00 0.00 C ATOM 773 O SER A 53 12.688 8.214 -5.958 1.00 0.00 O ATOM 774 CB SER A 53 14.855 6.265 -5.761 1.00 0.00 C ATOM 775 OG SER A 53 15.342 5.178 -6.543 1.00 0.00 O ATOM 0 H SER A 53 15.098 9.098 -5.059 1.00 0.00 H new ATOM 0 HA SER A 53 15.485 7.424 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.429 6.332 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.819 6.074 -5.480 1.00 0.00 H new ATOM 0 HG SER A 53 15.272 4.347 -6.028 1.00 0.00 H new ATOM 781 N GLN A 54 13.340 8.420 -8.114 1.00 0.00 N ATOM 782 CA GLN A 54 12.056 8.922 -8.570 1.00 0.00 C ATOM 783 C GLN A 54 11.146 7.760 -8.977 1.00 0.00 C ATOM 784 O GLN A 54 9.926 7.908 -9.018 1.00 0.00 O ATOM 785 CB GLN A 54 12.232 9.910 -9.725 1.00 0.00 C ATOM 786 CG GLN A 54 13.110 9.314 -10.827 1.00 0.00 C ATOM 787 CD GLN A 54 12.451 9.472 -12.199 1.00 0.00 C ATOM 788 OE1 GLN A 54 12.671 10.435 -12.915 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.634 8.475 -12.524 1.00 0.00 N ATOM 0 H GLN A 54 14.047 8.332 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 54 11.584 9.457 -7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.257 10.174 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.682 10.831 -9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.083 9.806 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.287 8.258 -10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.495 7.698 -11.878 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.146 8.487 -13.420 1.00 0.00 H new ATOM 798 N ASN A 55 11.776 6.631 -9.266 1.00 0.00 N ATOM 799 CA ASN A 55 11.039 5.445 -9.668 1.00 0.00 C ATOM 800 C ASN A 55 10.077 5.044 -8.547 1.00 0.00 C ATOM 801 O ASN A 55 8.994 4.523 -8.811 1.00 0.00 O ATOM 802 CB ASN A 55 11.984 4.269 -9.923 1.00 0.00 C ATOM 803 CG ASN A 55 12.792 4.484 -11.204 1.00 0.00 C ATOM 804 OD1 ASN A 55 13.990 4.715 -11.182 1.00 0.00 O ATOM 805 ND2 ASN A 55 12.073 4.396 -12.319 1.00 0.00 N ATOM 0 H ASN A 55 12.788 6.512 -9.230 1.00 0.00 H new ATOM 0 HA ASN A 55 10.498 5.678 -10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.661 4.152 -9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.409 3.346 -10.002 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.521 4.524 -13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.073 4.200 -12.267 1.00 0.00 H new ATOM 812 N ARG A 56 10.507 5.301 -7.321 1.00 0.00 N ATOM 813 CA ARG A 56 9.698 4.974 -6.160 1.00 0.00 C ATOM 814 C ARG A 56 9.163 6.250 -5.509 1.00 0.00 C ATOM 815 O ARG A 56 9.918 7.190 -5.262 1.00 0.00 O ATOM 816 CB ARG A 56 10.508 4.185 -5.129 1.00 0.00 C ATOM 817 CG ARG A 56 9.587 3.494 -4.121 1.00 0.00 C ATOM 818 CD ARG A 56 10.261 2.258 -3.520 1.00 0.00 C ATOM 819 NE ARG A 56 11.451 2.660 -2.738 1.00 0.00 N ATOM 820 CZ ARG A 56 12.482 1.848 -2.469 1.00 0.00 C ATOM 821 NH1 ARG A 56 12.476 0.586 -2.918 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.520 2.299 -1.751 1.00 0.00 N ATOM 0 H ARG A 56 11.406 5.732 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 56 8.865 4.359 -6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.122 3.441 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.188 4.856 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.323 4.192 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.658 3.204 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.558 1.725 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.553 1.571 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 56 11.489 3.615 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.686 0.243 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.261 -0.032 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.525 3.260 -1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.305 1.681 -1.546 1.00 0.00 H new ATOM 836 N TRP A 57 7.864 6.244 -5.248 1.00 0.00 N ATOM 837 CA TRP A 57 7.218 7.390 -4.631 1.00 0.00 C ATOM 838 C TRP A 57 6.708 6.960 -3.254 1.00 0.00 C ATOM 839 O TRP A 57 6.401 5.788 -3.040 1.00 0.00 O ATOM 840 CB TRP A 57 6.113 7.948 -5.530 1.00 0.00 C ATOM 841 CG TRP A 57 6.630 8.725 -6.742 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.901 8.902 -7.128 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.832 9.428 -7.717 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.980 9.664 -8.275 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.682 9.994 -8.645 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.437 9.581 -7.811 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.233 10.751 -9.734 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.005 10.340 -8.905 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.848 10.917 -9.848 1.00 0.00 C ATOM 0 H TRP A 57 7.241 5.463 -5.453 1.00 0.00 H new ATOM 0 HA TRP A 57 7.927 8.208 -4.501 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.491 7.123 -5.878 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.473 8.602 -4.938 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.756 8.499 -6.606 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.834 9.935 -8.762 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.754 9.147 -7.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.919 11.184 -10.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.942 10.488 -9.025 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.436 11.491 -10.665 1.00 0.00 H new ATOM 860 N LEU A 58 6.634 7.931 -2.355 1.00 0.00 N ATOM 861 CA LEU A 58 6.167 7.668 -1.005 1.00 0.00 C ATOM 862 C LEU A 58 4.684 8.031 -0.903 1.00 0.00 C ATOM 863 O LEU A 58 4.272 9.102 -1.347 1.00 0.00 O ATOM 864 CB LEU A 58 7.048 8.389 0.017 1.00 0.00 C ATOM 865 CG LEU A 58 6.543 8.382 1.461 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.423 9.407 1.655 1.00 0.00 C ATOM 867 CD2 LEU A 58 6.112 6.977 1.885 1.00 0.00 C ATOM 0 H LEU A 58 6.890 8.902 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 58 6.253 6.607 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.039 7.935 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.166 9.425 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 58 7.366 8.676 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.082 9.382 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.797 10.404 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.591 9.167 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.757 7.001 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.310 6.630 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.961 6.298 1.809 1.00 0.00 H new ATOM 879 N ILE A 59 3.923 7.118 -0.317 1.00 0.00 N ATOM 880 CA ILE A 59 2.495 7.329 -0.151 1.00 0.00 C ATOM 881 C ILE A 59 2.077 6.883 1.251 1.00 0.00 C ATOM 882 O ILE A 59 2.822 6.177 1.929 1.00 0.00 O ATOM 883 CB ILE A 59 1.718 6.637 -1.273 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.808 5.115 -1.145 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.185 7.126 -2.646 1.00 0.00 C ATOM 886 CD1 ILE A 59 0.982 4.615 0.042 1.00 0.00 C ATOM 0 H ILE A 59 4.268 6.231 0.049 1.00 0.00 H new ATOM 0 HA ILE A 59 2.255 8.389 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 59 0.666 6.906 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.452 4.648 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.849 4.818 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.617 6.618 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.026 8.202 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.246 6.907 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.063 3.530 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.356 5.066 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.063 4.893 -0.099 1.00 0.00 H new ATOM 898 N ASP A 60 0.888 7.314 1.645 1.00 0.00 N ATOM 899 CA ASP A 60 0.362 6.968 2.954 1.00 0.00 C ATOM 900 C ASP A 60 -0.929 6.164 2.785 1.00 0.00 C ATOM 901 O ASP A 60 -1.821 6.566 2.040 1.00 0.00 O ATOM 902 CB ASP A 60 0.034 8.223 3.766 1.00 0.00 C ATOM 903 CG ASP A 60 -0.273 7.975 5.244 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.104 7.080 5.509 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.330 8.687 6.076 1.00 0.00 O ATOM 0 H ASP A 60 0.274 7.900 1.080 1.00 0.00 H new ATOM 0 HA ASP A 60 1.121 6.387 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.875 8.913 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.823 8.718 3.310 1.00 0.00 H new ATOM 910 N ASN A 61 -0.987 5.043 3.489 1.00 0.00 N ATOM 911 CA ASN A 61 -2.153 4.179 3.426 1.00 0.00 C ATOM 912 C ASN A 61 -3.073 4.483 4.610 1.00 0.00 C ATOM 913 O ASN A 61 -3.678 3.577 5.179 1.00 0.00 O ATOM 914 CB ASN A 61 -1.752 2.705 3.505 1.00 0.00 C ATOM 915 CG ASN A 61 -1.159 2.371 4.875 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.809 3.240 5.657 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.065 1.067 5.121 1.00 0.00 N ATOM 0 H ASN A 61 -0.245 4.713 4.106 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.659 4.365 2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.623 2.077 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.024 2.480 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.681 0.742 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.377 0.392 4.422 1.00 0.00 H new ATOM 924 N GLY A 62 -3.147 5.763 4.947 1.00 0.00 N ATOM 925 CA GLY A 62 -3.982 6.198 6.054 1.00 0.00 C ATOM 926 C GLY A 62 -3.657 5.414 7.327 1.00 0.00 C ATOM 927 O GLY A 62 -4.484 5.325 8.233 1.00 0.00 O ATOM 0 H GLY A 62 -2.643 6.512 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.832 7.263 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.033 6.062 5.797 1.00 0.00 H new ATOM 931 N VAL A 63 -2.451 4.867 7.355 1.00 0.00 N ATOM 932 CA VAL A 63 -2.006 4.094 8.502 1.00 0.00 C ATOM 933 C VAL A 63 -0.521 4.366 8.750 1.00 0.00 C ATOM 934 O VAL A 63 -0.127 4.713 9.862 1.00 0.00 O ATOM 935 CB VAL A 63 -2.314 2.611 8.285 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.728 1.759 9.412 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.820 2.378 8.149 1.00 0.00 C ATOM 0 H VAL A 63 -1.768 4.944 6.601 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.546 4.397 9.399 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.842 2.304 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.961 0.709 9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.646 1.890 9.443 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.158 2.069 10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.011 1.316 7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.323 2.710 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.200 2.942 7.297 1.00 0.00 H new ATOM 947 N THR A 64 0.263 4.199 7.694 1.00 0.00 N ATOM 948 CA THR A 64 1.696 4.422 7.784 1.00 0.00 C ATOM 949 C THR A 64 2.233 4.971 6.460 1.00 0.00 C ATOM 950 O THR A 64 1.461 5.311 5.566 1.00 0.00 O ATOM 951 CB THR A 64 2.353 3.108 8.208 1.00 0.00 C ATOM 952 OG1 THR A 64 3.724 3.450 8.398 1.00 0.00 O ATOM 953 CG2 THR A 64 2.380 2.075 7.080 1.00 0.00 C ATOM 0 H THR A 64 -0.067 3.912 6.773 1.00 0.00 H new ATOM 0 HA THR A 64 1.933 5.177 8.534 1.00 0.00 H new ATOM 0 HB THR A 64 1.819 2.696 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.224 2.654 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.857 1.161 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.360 1.853 6.765 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.942 2.473 6.235 1.00 0.00 H new ATOM 961 N LYS A 65 3.554 5.040 6.378 1.00 0.00 N ATOM 962 CA LYS A 65 4.204 5.541 5.179 1.00 0.00 C ATOM 963 C LYS A 65 4.904 4.385 4.463 1.00 0.00 C ATOM 964 O LYS A 65 5.778 3.735 5.034 1.00 0.00 O ATOM 965 CB LYS A 65 5.134 6.707 5.522 1.00 0.00 C ATOM 966 CG LYS A 65 4.386 8.040 5.468 1.00 0.00 C ATOM 967 CD LYS A 65 5.363 9.217 5.460 1.00 0.00 C ATOM 968 CE LYS A 65 4.616 10.550 5.546 1.00 0.00 C ATOM 969 NZ LYS A 65 4.926 11.236 6.820 1.00 0.00 N ATOM 0 H LYS A 65 4.191 4.757 7.122 1.00 0.00 H new ATOM 0 HA LYS A 65 3.467 5.945 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.553 6.561 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.971 6.727 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.762 8.075 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.719 8.122 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.053 9.128 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.963 9.190 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.896 11.186 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.542 10.378 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.411 12.139 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.637 10.635 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.948 11.418 6.877 1.00 0.00 H new ATOM 983 N GLY A 66 4.495 4.165 3.222 1.00 0.00 N ATOM 984 CA GLY A 66 5.072 3.099 2.422 1.00 0.00 C ATOM 985 C GLY A 66 5.584 3.634 1.083 1.00 0.00 C ATOM 986 O GLY A 66 5.115 4.664 0.602 1.00 0.00 O ATOM 0 H GLY A 66 3.771 4.707 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.891 2.632 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.324 2.326 2.247 1.00 0.00 H new ATOM 990 N PHE A 67 6.541 2.911 0.520 1.00 0.00 N ATOM 991 CA PHE A 67 7.122 3.300 -0.754 1.00 0.00 C ATOM 992 C PHE A 67 6.771 2.291 -1.848 1.00 0.00 C ATOM 993 O PHE A 67 7.062 1.103 -1.719 1.00 0.00 O ATOM 994 CB PHE A 67 8.640 3.322 -0.564 1.00 0.00 C ATOM 995 CG PHE A 67 9.157 4.553 0.182 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.644 4.875 1.400 1.00 0.00 C ATOM 997 CD2 PHE A 67 10.130 5.326 -0.372 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.123 6.018 2.093 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.609 6.468 0.321 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.096 6.791 1.539 1.00 0.00 C ATOM 0 H PHE A 67 6.929 2.058 0.923 1.00 0.00 H new ATOM 0 HA PHE A 67 6.735 4.273 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.940 2.427 -0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.119 3.275 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.872 4.261 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.538 5.071 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.715 6.274 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.382 7.081 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.461 7.660 2.066 1.00 0.00 H new ATOM 1010 N VAL A 68 6.150 2.801 -2.902 1.00 0.00 N ATOM 1011 CA VAL A 68 5.756 1.959 -4.019 1.00 0.00 C ATOM 1012 C VAL A 68 5.946 2.730 -5.326 1.00 0.00 C ATOM 1013 O VAL A 68 5.887 3.959 -5.340 1.00 0.00 O ATOM 1014 CB VAL A 68 4.322 1.463 -3.820 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.236 0.494 -2.639 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.357 2.636 -3.638 1.00 0.00 C ATOM 0 H VAL A 68 5.910 3.787 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 68 6.388 1.073 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 68 4.027 0.922 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.206 0.157 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.880 -0.365 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.560 0.999 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.345 2.256 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.651 3.216 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.387 3.272 -4.522 1.00 0.00 H new ATOM 1026 N TYR A 69 6.170 1.978 -6.393 1.00 0.00 N ATOM 1027 CA TYR A 69 6.368 2.576 -7.702 1.00 0.00 C ATOM 1028 C TYR A 69 5.038 3.029 -8.306 1.00 0.00 C ATOM 1029 O TYR A 69 4.105 2.236 -8.427 1.00 0.00 O ATOM 1030 CB TYR A 69 6.966 1.476 -8.582 1.00 0.00 C ATOM 1031 CG TYR A 69 8.107 0.701 -7.920 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.257 1.361 -7.536 1.00 0.00 C ATOM 1033 CD2 TYR A 69 7.987 -0.657 -7.708 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.332 0.632 -6.914 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.062 -1.386 -7.085 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.181 -0.706 -6.719 1.00 0.00 C ATOM 1037 OH TYR A 69 11.195 -1.395 -6.131 1.00 0.00 O ATOM 0 H TYR A 69 6.219 0.959 -6.378 1.00 0.00 H new ATOM 0 HA TYR A 69 7.013 3.451 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.177 0.776 -8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.332 1.923 -9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.351 2.424 -7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.087 -1.173 -8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.237 1.136 -6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.981 -2.449 -6.913 1.00 0.00 H new ATOM 0 HH TYR A 69 10.947 -2.340 -6.055 1.00 0.00 H new ATOM 1047 N SER A 70 4.992 4.302 -8.669 1.00 0.00 N ATOM 1048 CA SER A 70 3.791 4.870 -9.257 1.00 0.00 C ATOM 1049 C SER A 70 3.143 3.858 -10.204 1.00 0.00 C ATOM 1050 O SER A 70 1.924 3.853 -10.373 1.00 0.00 O ATOM 1051 CB SER A 70 4.104 6.169 -10.002 1.00 0.00 C ATOM 1052 OG SER A 70 5.250 6.042 -10.839 1.00 0.00 O ATOM 0 H SER A 70 5.768 4.957 -8.567 1.00 0.00 H new ATOM 0 HA SER A 70 3.094 5.103 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.244 6.456 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.269 6.970 -9.281 1.00 0.00 H new ATOM 0 HG SER A 70 5.415 6.892 -11.298 1.00 0.00 H new ATOM 1058 N SER A 71 3.986 3.025 -10.796 1.00 0.00 N ATOM 1059 CA SER A 71 3.511 2.011 -11.721 1.00 0.00 C ATOM 1060 C SER A 71 2.392 1.194 -11.073 1.00 0.00 C ATOM 1061 O SER A 71 1.309 1.059 -11.639 1.00 0.00 O ATOM 1062 CB SER A 71 4.651 1.092 -12.164 1.00 0.00 C ATOM 1063 OG SER A 71 5.168 1.459 -13.440 1.00 0.00 O ATOM 0 H SER A 71 4.996 3.032 -10.653 1.00 0.00 H new ATOM 0 HA SER A 71 3.120 2.512 -12.606 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.452 1.126 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.294 0.063 -12.200 1.00 0.00 H new ATOM 0 HG SER A 71 5.895 0.849 -13.686 1.00 0.00 H new ATOM 1069 N PHE A 72 2.693 0.670 -9.893 1.00 0.00 N ATOM 1070 CA PHE A 72 1.726 -0.131 -9.161 1.00 0.00 C ATOM 1071 C PHE A 72 0.553 0.728 -8.684 1.00 0.00 C ATOM 1072 O PHE A 72 -0.431 0.206 -8.163 1.00 0.00 O ATOM 1073 CB PHE A 72 2.452 -0.705 -7.943 1.00 0.00 C ATOM 1074 CG PHE A 72 3.291 -1.948 -8.247 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.699 -3.170 -8.307 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.630 -1.829 -8.458 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.478 -4.324 -8.589 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.409 -2.982 -8.740 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.817 -4.205 -8.800 1.00 0.00 C ATOM 0 H PHE A 72 3.593 0.785 -9.426 1.00 0.00 H new ATOM 0 HA PHE A 72 1.329 -0.916 -9.804 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.100 0.064 -7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.716 -0.954 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.636 -3.264 -8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.100 -0.858 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.008 -5.295 -8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.472 -2.888 -8.907 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.410 -5.082 -9.015 1.00 0.00 H new ATOM 1089 N LEU A 73 0.697 2.030 -8.879 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.339 2.966 -8.475 1.00 0.00 C ATOM 1091 C LEU A 73 -1.002 3.556 -9.721 1.00 0.00 C ATOM 1092 O LEU A 73 -0.412 3.559 -10.800 1.00 0.00 O ATOM 1093 CB LEU A 73 0.234 4.021 -7.526 1.00 0.00 C ATOM 1094 CG LEU A 73 0.799 3.498 -6.204 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.547 4.601 -5.453 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.302 2.867 -5.348 1.00 0.00 C ATOM 0 H LEU A 73 1.515 2.459 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.118 2.452 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.025 4.560 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.550 4.744 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 73 1.522 2.714 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.939 4.203 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.372 4.964 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.864 5.424 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.127 2.503 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.066 3.613 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.752 2.034 -5.889 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.221 4.040 -9.531 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.971 4.631 -10.626 1.00 0.00 C ATOM 1110 C LYS A 74 -3.508 5.996 -10.193 1.00 0.00 C ATOM 1111 O LYS A 74 -3.762 6.220 -9.010 1.00 0.00 O ATOM 1112 CB LYS A 74 -4.056 3.668 -11.112 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.935 3.201 -9.950 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.398 3.586 -10.180 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.155 2.464 -10.894 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.203 3.025 -11.775 1.00 0.00 N ATOM 0 H LYS A 74 -2.708 4.035 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.322 4.803 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.673 4.159 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.593 2.806 -11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.853 2.120 -9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.580 3.645 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.876 3.801 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.448 4.499 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.460 1.865 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.607 1.798 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.707 2.250 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.876 3.577 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.764 3.642 -12.487 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.669 6.896 -11.199 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.172 8.233 -10.934 1.00 0.00 C ATOM 1132 C PRO A 75 -5.678 8.210 -10.667 1.00 0.00 C ATOM 1133 O PRO A 75 -6.476 8.119 -11.599 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.800 9.045 -12.164 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.518 8.032 -13.262 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.379 6.665 -12.611 1.00 0.00 C ATOM 0 HA PRO A 75 -3.739 8.674 -10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.611 9.715 -12.450 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.925 9.667 -11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.327 8.026 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.606 8.294 -13.798 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.074 5.947 -13.046 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.376 6.261 -12.748 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.022 8.293 -9.390 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.418 8.283 -8.989 1.00 0.00 C ATOM 1146 C TYR A 76 -8.234 9.279 -9.815 1.00 0.00 C ATOM 1147 O TYR A 76 -7.691 9.967 -10.678 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.439 8.718 -7.522 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.717 8.330 -6.776 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -8.870 7.047 -6.290 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.716 9.263 -6.588 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.073 6.682 -5.588 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -10.919 8.898 -5.885 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.038 7.625 -5.420 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.174 7.281 -4.756 1.00 0.00 O ATOM 0 H TYR A 76 -5.358 8.367 -8.620 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.852 7.295 -9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.584 8.276 -7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.316 9.800 -7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.087 6.317 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.596 10.267 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.206 5.682 -5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.709 9.618 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.773 8.055 -4.711 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.525 9.325 -9.522 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.421 10.226 -10.228 1.00 0.00 C ATOM 1167 C ASN A 77 -11.719 10.374 -9.431 1.00 0.00 C ATOM 1168 O ASN A 77 -12.593 9.511 -9.496 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.776 9.678 -11.611 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.821 10.221 -12.677 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -8.764 9.672 -12.938 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -10.252 11.327 -13.276 1.00 0.00 N ATOM 0 H ASN A 77 -9.972 8.753 -8.806 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.916 11.186 -10.339 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.731 8.589 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.801 9.951 -11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.687 11.767 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.148 11.735 -13.009 1.00 0.00 H new ATOM 1179 N PRO A 78 -11.806 11.504 -8.679 1.00 0.00 N ATOM 1180 CA PRO A 78 -12.983 11.776 -7.871 1.00 0.00 C ATOM 1181 C PRO A 78 -14.156 12.226 -8.745 1.00 0.00 C ATOM 1182 O PRO A 78 -15.229 12.542 -8.234 1.00 0.00 O ATOM 1183 CB PRO A 78 -12.540 12.839 -6.878 1.00 0.00 C ATOM 1184 CG PRO A 78 -11.279 13.455 -7.461 1.00 0.00 C ATOM 1185 CD PRO A 78 -10.791 12.548 -8.578 1.00 0.00 C ATOM 0 HA PRO A 78 -13.350 10.891 -7.351 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.315 13.593 -6.741 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.344 12.401 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.484 14.455 -7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.514 13.559 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.690 13.094 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.812 12.127 -8.347 1.00 0.00 H new ATOM 1193 N ARG A 79 -13.911 12.240 -10.047 1.00 0.00 N ATOM 1194 CA ARG A 79 -14.933 12.646 -10.996 1.00 0.00 C ATOM 1195 C ARG A 79 -16.262 11.961 -10.670 1.00 0.00 C ATOM 1196 O ARG A 79 -16.449 10.784 -10.973 1.00 0.00 O ATOM 1197 CB ARG A 79 -14.525 12.296 -12.428 1.00 0.00 C ATOM 1198 CG ARG A 79 -13.464 13.268 -12.949 1.00 0.00 C ATOM 1199 CD ARG A 79 -13.146 12.995 -14.421 1.00 0.00 C ATOM 1200 NE ARG A 79 -13.402 14.210 -15.227 1.00 0.00 N ATOM 1201 CZ ARG A 79 -13.218 14.285 -16.552 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -12.777 13.216 -17.229 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -13.476 15.428 -17.201 1.00 0.00 N ATOM 0 H ARG A 79 -13.019 11.977 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.048 13.727 -10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.138 11.278 -12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.400 12.325 -13.077 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.816 14.293 -12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.556 13.174 -12.354 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.105 12.691 -14.526 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.757 12.170 -14.787 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.740 15.042 -14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.581 12.345 -16.736 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.637 13.273 -18.238 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.813 16.242 -16.686 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.336 15.485 -18.210 1.00 0.00 H new ATOM 1217 N ARG A 80 -17.151 12.728 -10.056 1.00 0.00 N ATOM 1218 CA ARG A 80 -18.457 12.210 -9.685 1.00 0.00 C ATOM 1219 C ARG A 80 -19.483 12.526 -10.776 1.00 0.00 C ATOM 1220 O ARG A 80 -20.119 11.623 -11.316 1.00 0.00 O ATOM 1221 CB ARG A 80 -18.931 12.808 -8.360 1.00 0.00 C ATOM 1222 CG ARG A 80 -19.568 11.738 -7.471 1.00 0.00 C ATOM 1223 CD ARG A 80 -19.739 12.245 -6.038 1.00 0.00 C ATOM 1224 NE ARG A 80 -21.040 11.796 -5.494 1.00 0.00 N ATOM 1225 CZ ARG A 80 -21.540 12.196 -4.317 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -20.851 13.056 -3.553 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -22.729 11.736 -3.903 1.00 0.00 N ATOM 0 H ARG A 80 -16.993 13.704 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.365 11.130 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -18.088 13.263 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -19.652 13.602 -8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -20.538 11.453 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.947 10.843 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.927 11.874 -5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -19.684 13.333 -6.020 1.00 0.00 H new ATOM 0 HE ARG A 80 -21.590 11.141 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.946 13.406 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.232 13.360 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -23.253 11.082 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -23.110 12.040 -3.007 1.00 0.00 H new ATOM 1241 N SER A 81 -19.611 13.812 -11.067 1.00 0.00 N ATOM 1242 CA SER A 81 -20.548 14.259 -12.084 1.00 0.00 C ATOM 1243 C SER A 81 -20.522 13.302 -13.277 1.00 0.00 C ATOM 1244 O SER A 81 -21.551 12.741 -13.650 1.00 0.00 O ATOM 1245 CB SER A 81 -20.229 15.685 -12.539 1.00 0.00 C ATOM 1246 OG SER A 81 -20.370 16.627 -11.480 1.00 0.00 O ATOM 0 H SER A 81 -19.082 14.559 -10.617 1.00 0.00 H new ATOM 0 HA SER A 81 -21.548 14.261 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 81 -19.210 15.723 -12.925 1.00 0.00 H new ATOM 0 HB3 SER A 81 -20.891 15.960 -13.360 1.00 0.00 H new ATOM 0 HG SER A 81 -20.156 17.525 -11.810 1.00 0.00 H new ATOM 1252 N HIS A 82 -19.334 13.146 -13.843 1.00 0.00 N ATOM 1253 CA HIS A 82 -19.160 12.266 -14.986 1.00 0.00 C ATOM 1254 C HIS A 82 -18.599 10.922 -14.519 1.00 0.00 C ATOM 1255 O HIS A 82 -17.475 10.561 -14.864 1.00 0.00 O ATOM 1256 CB HIS A 82 -18.292 12.932 -16.056 1.00 0.00 C ATOM 1257 CG HIS A 82 -19.048 13.877 -16.960 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -19.397 13.553 -18.259 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -19.517 15.138 -16.738 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -20.046 14.580 -18.786 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -20.120 15.562 -17.842 1.00 0.00 N ATOM 0 H HIS A 82 -18.483 13.614 -13.531 1.00 0.00 H new ATOM 0 HA HIS A 82 -20.126 12.074 -15.452 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.487 13.480 -15.567 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -17.826 12.157 -16.665 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -19.415 15.697 -15.820 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.447 14.631 -19.788 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -20.565 16.472 -17.964 1.00 0.00 H new ATOM 1269 N SER A 83 -19.408 10.217 -13.742 1.00 0.00 N ATOM 1270 CA SER A 83 -19.006 8.920 -13.224 1.00 0.00 C ATOM 1271 C SER A 83 -18.501 8.035 -14.364 1.00 0.00 C ATOM 1272 O SER A 83 -17.365 7.563 -14.332 1.00 0.00 O ATOM 1273 CB SER A 83 -20.163 8.236 -12.494 1.00 0.00 C ATOM 1274 OG SER A 83 -21.330 8.148 -13.307 1.00 0.00 O ATOM 0 H SER A 83 -20.340 10.519 -13.459 1.00 0.00 H new ATOM 0 HA SER A 83 -18.199 9.073 -12.507 1.00 0.00 H new ATOM 0 HB2 SER A 83 -19.858 7.235 -12.189 1.00 0.00 H new ATOM 0 HB3 SER A 83 -20.396 8.790 -11.584 1.00 0.00 H new ATOM 0 HG SER A 83 -22.045 7.704 -12.806 1.00 0.00 H new ATOM 1280 N ASP A 84 -19.368 7.836 -15.346 1.00 0.00 N ATOM 1281 CA ASP A 84 -19.024 7.016 -16.494 1.00 0.00 C ATOM 1282 C ASP A 84 -18.588 5.630 -16.014 1.00 0.00 C ATOM 1283 O ASP A 84 -17.420 5.421 -15.689 1.00 0.00 O ATOM 1284 CB ASP A 84 -17.865 7.629 -17.282 1.00 0.00 C ATOM 1285 CG ASP A 84 -18.193 8.002 -18.729 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -19.342 8.440 -18.956 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -17.288 7.841 -19.576 1.00 0.00 O ATOM 0 H ASP A 84 -20.309 8.229 -15.370 1.00 0.00 H new ATOM 0 HA ASP A 84 -19.902 6.951 -17.136 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.524 8.523 -16.761 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.034 6.924 -17.284 1.00 0.00 H new ATOM 1292 N ALA A 85 -19.550 4.719 -15.983 1.00 0.00 N ATOM 1293 CA ALA A 85 -19.279 3.360 -15.547 1.00 0.00 C ATOM 1294 C ALA A 85 -20.429 2.450 -15.986 1.00 0.00 C ATOM 1295 O ALA A 85 -20.220 1.499 -16.737 1.00 0.00 O ATOM 1296 CB ALA A 85 -19.067 3.342 -14.032 1.00 0.00 C ATOM 0 H ALA A 85 -20.518 4.896 -16.253 1.00 0.00 H new ATOM 0 HA ALA A 85 -18.366 2.984 -16.008 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.864 2.322 -13.705 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -18.222 3.981 -13.775 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -19.964 3.710 -13.535 1.00 0.00 H new ATOM 1302 N SER A 86 -21.617 2.775 -15.498 1.00 0.00 N ATOM 1303 CA SER A 86 -22.800 1.999 -15.830 1.00 0.00 C ATOM 1304 C SER A 86 -22.625 0.553 -15.363 1.00 0.00 C ATOM 1305 O SER A 86 -21.914 -0.226 -15.996 1.00 0.00 O ATOM 1306 CB SER A 86 -23.081 2.041 -17.334 1.00 0.00 C ATOM 1307 OG SER A 86 -24.343 2.637 -17.624 1.00 0.00 O ATOM 0 H SER A 86 -21.786 3.565 -14.875 1.00 0.00 H new ATOM 0 HA SER A 86 -23.654 2.439 -15.315 1.00 0.00 H new ATOM 0 HB2 SER A 86 -22.292 2.601 -17.835 1.00 0.00 H new ATOM 0 HB3 SER A 86 -23.057 1.028 -17.736 1.00 0.00 H new ATOM 0 HG SER A 86 -24.485 2.647 -18.594 1.00 0.00 H new ATOM 1313 N SER A 87 -23.286 0.238 -14.259 1.00 0.00 N ATOM 1314 CA SER A 87 -23.213 -1.101 -13.699 1.00 0.00 C ATOM 1315 C SER A 87 -24.621 -1.626 -13.411 1.00 0.00 C ATOM 1316 O SER A 87 -25.469 -0.893 -12.904 1.00 0.00 O ATOM 1317 CB SER A 87 -22.369 -1.119 -12.423 1.00 0.00 C ATOM 1318 OG SER A 87 -21.013 -0.760 -12.675 1.00 0.00 O ATOM 0 H SER A 87 -23.875 0.887 -13.737 1.00 0.00 H new ATOM 0 HA SER A 87 -22.732 -1.751 -14.430 1.00 0.00 H new ATOM 0 HB2 SER A 87 -22.797 -0.430 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 87 -22.404 -2.114 -11.979 1.00 0.00 H new ATOM 0 HG SER A 87 -20.507 -0.782 -11.836 1.00 0.00 H new ATOM 1324 N GLY A 88 -24.827 -2.890 -13.747 1.00 0.00 N ATOM 1325 CA GLY A 88 -26.118 -3.521 -13.531 1.00 0.00 C ATOM 1326 C GLY A 88 -25.997 -4.698 -12.561 1.00 0.00 C ATOM 1327 O GLY A 88 -25.216 -5.620 -12.791 1.00 0.00 O ATOM 0 H GLY A 88 -24.122 -3.495 -14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -26.823 -2.790 -13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -26.521 -3.869 -14.482 1.00 0.00 H new ATOM 1331 N PRO A 89 -26.804 -4.628 -11.468 1.00 0.00 N ATOM 1332 CA PRO A 89 -26.795 -5.676 -10.462 1.00 0.00 C ATOM 1333 C PRO A 89 -27.526 -6.923 -10.964 1.00 0.00 C ATOM 1334 O PRO A 89 -28.499 -6.820 -11.708 1.00 0.00 O ATOM 1335 CB PRO A 89 -27.451 -5.054 -9.240 1.00 0.00 C ATOM 1336 CG PRO A 89 -28.218 -3.845 -9.749 1.00 0.00 C ATOM 1337 CD PRO A 89 -27.742 -3.552 -11.163 1.00 0.00 C ATOM 0 HA PRO A 89 -25.789 -6.023 -10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -28.119 -5.763 -8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -26.704 -4.761 -8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -29.290 -4.042 -9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -28.047 -2.984 -9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -28.574 -3.541 -11.867 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -27.259 -2.577 -11.224 1.00 0.00 H new ATOM 1345 N SER A 90 -27.028 -8.074 -10.535 1.00 0.00 N ATOM 1346 CA SER A 90 -27.621 -9.340 -10.931 1.00 0.00 C ATOM 1347 C SER A 90 -27.768 -10.253 -9.713 1.00 0.00 C ATOM 1348 O SER A 90 -27.286 -9.929 -8.628 1.00 0.00 O ATOM 1349 CB SER A 90 -26.782 -10.027 -12.011 1.00 0.00 C ATOM 1350 OG SER A 90 -25.465 -10.323 -11.556 1.00 0.00 O ATOM 0 H SER A 90 -26.221 -8.156 -9.917 1.00 0.00 H new ATOM 0 HA SER A 90 -28.608 -9.140 -11.348 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.274 -10.949 -12.321 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.726 -9.385 -12.890 1.00 0.00 H new ATOM 0 HG SER A 90 -24.962 -10.762 -12.273 1.00 0.00 H new ATOM 1356 N SER A 91 -28.437 -11.375 -9.931 1.00 0.00 N ATOM 1357 CA SER A 91 -28.654 -12.337 -8.864 1.00 0.00 C ATOM 1358 C SER A 91 -27.858 -13.614 -9.141 1.00 0.00 C ATOM 1359 O SER A 91 -27.022 -14.015 -8.333 1.00 0.00 O ATOM 1360 CB SER A 91 -30.142 -12.662 -8.710 1.00 0.00 C ATOM 1361 OG SER A 91 -30.519 -12.798 -7.342 1.00 0.00 O ATOM 0 H SER A 91 -28.836 -11.640 -10.831 1.00 0.00 H new ATOM 0 HA SER A 91 -28.307 -11.896 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 91 -30.735 -11.874 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 91 -30.369 -13.586 -9.242 1.00 0.00 H new ATOM 0 HG SER A 91 -31.476 -13.003 -7.285 1.00 0.00 H new ATOM 1367 N GLY A 92 -28.147 -14.217 -10.285 1.00 0.00 N ATOM 1368 CA GLY A 92 -27.468 -15.441 -10.678 1.00 0.00 C ATOM 1369 C GLY A 92 -26.170 -15.131 -11.425 1.00 0.00 C ATOM 1370 O GLY A 92 -25.790 -15.856 -12.343 1.00 0.00 O ATOM 0 H GLY A 92 -28.842 -13.881 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -27.249 -16.040 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -28.124 -16.037 -11.313 1.00 0.00 H new TER 1374 GLY A 92