USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 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= 0.0113 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.213 USER MOD Single : A 10 GLN : amide:sc= -0.272 K(o=-0.27,f=-4.4!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.26) USER MOD Single : A 26 GLN : amide:sc= -0.378 K(o=-0.38,f=-0.97) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -116:sc= 0.224 USER MOD Single : A 38 SER OG : rot 180:sc= -0.648 USER MOD Single : A 41 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.54) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.704 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 55 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.36) USER MOD Single : A 57 ASN : amide:sc= -0.717 K(o=-0.72,f=-3.1!) USER MOD Single : A 60 ASN : amide:sc= 0.0324 K(o=0.032,f=-4.4!) USER MOD Single : A 65 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.53) USER MOD Single : A 69 TYR OH : rot -118:sc= 0.136 USER MOD Single : A 70 HIS : no HE2:sc= -3.55! C(o=-3.6!,f=-4.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.795 K(o=-0.79,f=-2.7!) USER MOD Single : A 80 LYS NZ :NH3+ -147:sc= 0.543 (180deg=0.0868) USER MOD Single : A 82 SER OG : rot -83:sc= 1.09 USER MOD Single : A 84 THR OG1 : rot -23:sc= 0.449 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0296 K(o=-0.03,f=-2.1!) USER MOD Single : A 95 SER OG : rot 39:sc= 0.384 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= -0.447 (180deg=-0.454) USER MOD Single : A 105 SER OG : rot 180:sc= 0.188 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0057 USER MOD Single : A 113 SER OG : rot 49:sc= 0.0294 USER MOD Single : A 114 SER OG : rot 13:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.279 -28.018 -7.287 1.00 0.00 N ATOM 2 CA GLY A 1 1.076 -28.490 -7.508 1.00 0.00 C ATOM 3 C GLY A 1 1.989 -28.200 -6.334 1.00 0.00 C ATOM 4 O GLY A 1 2.548 -29.117 -5.732 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.864 -28.240 -8.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.677 -28.486 -6.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.268 -26.989 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.058 -29.564 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.480 -28.019 -8.404 1.00 0.00 H new ATOM 8 N SER A 2 2.144 -26.921 -6.008 1.00 0.00 N ATOM 9 CA SER A 2 3.001 -26.512 -4.902 1.00 0.00 C ATOM 10 C SER A 2 2.444 -27.008 -3.571 1.00 0.00 C ATOM 11 O SER A 2 1.397 -27.655 -3.526 1.00 0.00 O ATOM 12 CB SER A 2 3.140 -24.989 -4.873 1.00 0.00 C ATOM 13 OG SER A 2 3.248 -24.461 -6.184 1.00 0.00 O ATOM 0 H SER A 2 1.687 -26.150 -6.495 1.00 0.00 H new ATOM 0 HA SER A 2 3.984 -26.957 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.277 -24.552 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.020 -24.712 -4.293 1.00 0.00 H new ATOM 0 HG SER A 2 3.334 -23.486 -6.138 1.00 0.00 H new ATOM 19 N SER A 3 3.152 -26.701 -2.489 1.00 0.00 N ATOM 20 CA SER A 3 2.731 -27.118 -1.156 1.00 0.00 C ATOM 21 C SER A 3 2.314 -25.915 -0.316 1.00 0.00 C ATOM 22 O SER A 3 2.511 -24.768 -0.714 1.00 0.00 O ATOM 23 CB SER A 3 3.861 -27.876 -0.456 1.00 0.00 C ATOM 24 OG SER A 3 3.347 -28.805 0.483 1.00 0.00 O ATOM 0 H SER A 3 4.020 -26.165 -2.509 1.00 0.00 H new ATOM 0 HA SER A 3 1.871 -27.779 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.465 -28.400 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.519 -27.169 0.050 1.00 0.00 H new ATOM 0 HG SER A 3 4.089 -29.278 0.915 1.00 0.00 H new ATOM 30 N GLY A 4 1.735 -26.187 0.850 1.00 0.00 N ATOM 31 CA GLY A 4 1.298 -25.118 1.728 1.00 0.00 C ATOM 32 C GLY A 4 0.259 -25.579 2.731 1.00 0.00 C ATOM 33 O GLY A 4 -0.164 -26.735 2.709 1.00 0.00 O ATOM 0 H GLY A 4 1.561 -27.129 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.159 -24.715 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.885 -24.306 1.129 1.00 0.00 H new ATOM 37 N SER A 5 -0.153 -24.674 3.613 1.00 0.00 N ATOM 38 CA SER A 5 -1.145 -24.996 4.632 1.00 0.00 C ATOM 39 C SER A 5 -2.318 -24.022 4.574 1.00 0.00 C ATOM 40 O SER A 5 -2.291 -23.044 3.827 1.00 0.00 O ATOM 41 CB SER A 5 -0.508 -24.963 6.022 1.00 0.00 C ATOM 42 OG SER A 5 0.067 -23.696 6.290 1.00 0.00 O ATOM 0 H SER A 5 0.185 -23.712 3.642 1.00 0.00 H new ATOM 0 HA SER A 5 -1.519 -26.001 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.261 -25.191 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.258 -25.736 6.093 1.00 0.00 H new ATOM 0 HG SER A 5 0.466 -23.701 7.185 1.00 0.00 H new ATOM 48 N SER A 6 -3.347 -24.297 5.369 1.00 0.00 N ATOM 49 CA SER A 6 -4.532 -23.448 5.407 1.00 0.00 C ATOM 50 C SER A 6 -4.963 -23.180 6.846 1.00 0.00 C ATOM 51 O SER A 6 -4.577 -23.901 7.766 1.00 0.00 O ATOM 52 CB SER A 6 -5.679 -24.102 4.633 1.00 0.00 C ATOM 53 OG SER A 6 -6.913 -23.465 4.915 1.00 0.00 O ATOM 0 H SER A 6 -3.384 -25.101 5.995 1.00 0.00 H new ATOM 0 HA SER A 6 -4.282 -22.497 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.476 -24.051 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.743 -25.158 4.895 1.00 0.00 H new ATOM 0 HG SER A 6 -7.629 -23.900 4.407 1.00 0.00 H new ATOM 59 N GLY A 7 -5.766 -22.137 7.033 1.00 0.00 N ATOM 60 CA GLY A 7 -6.236 -21.791 8.361 1.00 0.00 C ATOM 61 C GLY A 7 -7.377 -20.794 8.331 1.00 0.00 C ATOM 62 O GLY A 7 -7.390 -19.879 7.507 1.00 0.00 O ATOM 0 H GLY A 7 -6.099 -21.525 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.561 -22.695 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.410 -21.376 8.939 1.00 0.00 H new ATOM 66 N LEU A 8 -8.339 -20.971 9.230 1.00 0.00 N ATOM 67 CA LEU A 8 -9.492 -20.080 9.302 1.00 0.00 C ATOM 68 C LEU A 8 -9.740 -19.626 10.737 1.00 0.00 C ATOM 69 O LEU A 8 -10.623 -20.146 11.420 1.00 0.00 O ATOM 70 CB LEU A 8 -10.737 -20.780 8.755 1.00 0.00 C ATOM 71 CG LEU A 8 -11.865 -19.865 8.275 1.00 0.00 C ATOM 72 CD1 LEU A 8 -12.674 -20.544 7.181 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.763 -19.471 9.438 1.00 0.00 C ATOM 0 H LEU A 8 -8.344 -21.723 9.919 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.280 -19.201 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.435 -21.418 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.133 -21.434 9.532 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.421 -18.959 7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.472 -19.878 6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.023 -20.775 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.108 -21.466 7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.560 -18.820 9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.198 -20.367 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.175 -18.944 10.189 1.00 0.00 H new ATOM 85 N VAL A 9 -8.957 -18.651 11.188 1.00 0.00 N ATOM 86 CA VAL A 9 -9.093 -18.124 12.540 1.00 0.00 C ATOM 87 C VAL A 9 -9.038 -16.601 12.544 1.00 0.00 C ATOM 88 O VAL A 9 -8.250 -15.997 11.818 1.00 0.00 O ATOM 89 CB VAL A 9 -7.991 -18.669 13.469 1.00 0.00 C ATOM 90 CG1 VAL A 9 -8.180 -18.147 14.885 1.00 0.00 C ATOM 91 CG2 VAL A 9 -7.983 -20.190 13.449 1.00 0.00 C ATOM 0 H VAL A 9 -8.221 -18.210 10.636 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.065 -18.451 12.911 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.026 -18.318 13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.393 -18.542 15.527 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.132 -17.058 14.881 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.151 -18.466 15.264 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.199 -20.558 14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.949 -20.563 13.788 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.795 -20.540 12.434 1.00 0.00 H new ATOM 101 N GLN A 10 -9.881 -15.986 13.368 1.00 0.00 N ATOM 102 CA GLN A 10 -9.928 -14.532 13.467 1.00 0.00 C ATOM 103 C GLN A 10 -10.778 -14.094 14.655 1.00 0.00 C ATOM 104 O GLN A 10 -11.543 -14.883 15.208 1.00 0.00 O ATOM 105 CB GLN A 10 -10.487 -13.931 12.176 1.00 0.00 C ATOM 106 CG GLN A 10 -11.822 -14.524 11.756 1.00 0.00 C ATOM 107 CD GLN A 10 -12.445 -13.790 10.585 1.00 0.00 C ATOM 108 OE1 GLN A 10 -13.256 -12.881 10.768 1.00 0.00 O ATOM 109 NE2 GLN A 10 -12.068 -14.180 9.373 1.00 0.00 N ATOM 0 H GLN A 10 -10.540 -16.472 13.976 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.911 -14.170 13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.602 -12.855 12.306 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.765 -14.080 11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.682 -15.572 11.490 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.509 -14.499 12.602 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.393 -14.938 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.453 -13.722 8.547 1.00 0.00 H new ATOM 118 N GLY A 11 -10.637 -12.830 15.044 1.00 0.00 N ATOM 119 CA GLY A 11 -11.397 -12.310 16.165 1.00 0.00 C ATOM 120 C GLY A 11 -12.555 -11.437 15.724 1.00 0.00 C ATOM 121 O GLY A 11 -13.646 -11.935 15.444 1.00 0.00 O ATOM 0 H GLY A 11 -10.010 -12.157 14.603 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.778 -13.141 16.759 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.736 -11.733 16.812 1.00 0.00 H new ATOM 125 N ARG A 12 -12.320 -10.130 15.664 1.00 0.00 N ATOM 126 CA ARG A 12 -13.353 -9.185 15.258 1.00 0.00 C ATOM 127 C ARG A 12 -13.858 -9.503 13.854 1.00 0.00 C ATOM 128 O ARG A 12 -13.443 -10.488 13.242 1.00 0.00 O ATOM 129 CB ARG A 12 -12.813 -7.755 15.305 1.00 0.00 C ATOM 130 CG ARG A 12 -12.648 -7.212 16.715 1.00 0.00 C ATOM 131 CD ARG A 12 -11.693 -6.029 16.749 1.00 0.00 C ATOM 132 NE ARG A 12 -11.653 -5.395 18.064 1.00 0.00 N ATOM 133 CZ ARG A 12 -12.652 -4.676 18.564 1.00 0.00 C ATOM 134 NH1 ARG A 12 -13.762 -4.500 17.861 1.00 0.00 N ATOM 135 NH2 ARG A 12 -12.540 -4.130 19.768 1.00 0.00 N ATOM 0 H ARG A 12 -11.423 -9.702 15.892 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.186 -9.274 15.955 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.849 -7.723 14.797 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.487 -7.103 14.750 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.619 -6.908 17.105 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.275 -8.001 17.368 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.692 -6.364 16.477 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.998 -5.296 16.002 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.812 -5.511 18.630 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.850 -4.917 16.934 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.528 -3.948 18.247 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.686 -4.262 20.310 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.307 -3.578 20.151 1.00 0.00 H new ATOM 149 N ARG A 13 -14.757 -8.664 13.349 1.00 0.00 N ATOM 150 CA ARG A 13 -15.320 -8.857 12.019 1.00 0.00 C ATOM 151 C ARG A 13 -15.656 -7.516 11.371 1.00 0.00 C ATOM 152 O ARG A 13 -16.342 -6.683 11.963 1.00 0.00 O ATOM 153 CB ARG A 13 -16.576 -9.727 12.094 1.00 0.00 C ATOM 154 CG ARG A 13 -17.129 -10.119 10.734 1.00 0.00 C ATOM 155 CD ARG A 13 -16.102 -10.887 9.916 1.00 0.00 C ATOM 156 NE ARG A 13 -16.731 -11.737 8.908 1.00 0.00 N ATOM 157 CZ ARG A 13 -16.060 -12.600 8.153 1.00 0.00 C ATOM 158 NH1 ARG A 13 -14.747 -12.726 8.290 1.00 0.00 N ATOM 159 NH2 ARG A 13 -16.703 -13.339 7.258 1.00 0.00 N ATOM 0 H ARG A 13 -15.111 -7.844 13.842 1.00 0.00 H new ATOM 0 HA ARG A 13 -14.573 -9.361 11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.348 -10.631 12.658 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.346 -9.191 12.649 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.022 -10.730 10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.432 -9.224 10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.428 -10.183 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.495 -11.501 10.581 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.740 -11.664 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.249 -12.159 8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.235 -13.390 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.713 -13.245 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.187 -14.001 6.679 1.00 0.00 H new ATOM 173 N VAL A 14 -15.167 -7.315 10.151 1.00 0.00 N ATOM 174 CA VAL A 14 -15.416 -6.077 9.423 1.00 0.00 C ATOM 175 C VAL A 14 -16.422 -6.294 8.298 1.00 0.00 C ATOM 176 O VAL A 14 -16.365 -7.295 7.584 1.00 0.00 O ATOM 177 CB VAL A 14 -14.115 -5.504 8.830 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.417 -4.320 7.924 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.154 -5.105 9.940 1.00 0.00 C ATOM 0 H VAL A 14 -14.596 -7.994 9.647 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.825 -5.365 10.140 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.638 -6.278 8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.486 -3.929 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.065 -4.642 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.917 -3.540 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.240 -4.702 9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.620 -4.347 10.570 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.912 -5.980 10.544 1.00 0.00 H new ATOM 189 N HIS A 15 -17.343 -5.347 8.145 1.00 0.00 N ATOM 190 CA HIS A 15 -18.362 -5.434 7.105 1.00 0.00 C ATOM 191 C HIS A 15 -18.405 -4.152 6.279 1.00 0.00 C ATOM 192 O HIS A 15 -18.734 -3.082 6.792 1.00 0.00 O ATOM 193 CB HIS A 15 -19.733 -5.701 7.726 1.00 0.00 C ATOM 194 CG HIS A 15 -19.957 -7.136 8.090 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.567 -8.186 7.286 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.533 -7.694 9.181 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.895 -9.327 7.865 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.482 -9.056 9.016 1.00 0.00 N ATOM 0 H HIS A 15 -17.404 -4.512 8.727 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.103 -6.262 6.445 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.844 -5.087 8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.507 -5.387 7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.954 -7.166 10.024 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.714 -10.314 7.465 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.840 -9.747 9.676 1.00 0.00 H new ATOM 206 N ILE A 16 -18.071 -4.268 4.998 1.00 0.00 N ATOM 207 CA ILE A 16 -18.072 -3.118 4.102 1.00 0.00 C ATOM 208 C ILE A 16 -19.480 -2.558 3.929 1.00 0.00 C ATOM 209 O ILE A 16 -20.253 -3.040 3.100 1.00 0.00 O ATOM 210 CB ILE A 16 -17.503 -3.482 2.718 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.089 -4.051 2.857 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.502 -2.263 1.808 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.088 -3.054 3.399 1.00 0.00 C ATOM 0 H ILE A 16 -17.796 -5.146 4.558 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.435 -2.361 4.560 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.139 -4.245 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.118 -4.919 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.749 -4.402 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.097 -2.537 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.522 -1.898 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.886 -1.480 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.108 -3.525 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.030 -2.196 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.404 -2.722 4.388 1.00 0.00 H new ATOM 225 N ILE A 17 -19.805 -1.536 4.714 1.00 0.00 N ATOM 226 CA ILE A 17 -21.118 -0.908 4.645 1.00 0.00 C ATOM 227 C ILE A 17 -21.300 -0.157 3.330 1.00 0.00 C ATOM 228 O ILE A 17 -22.152 -0.510 2.516 1.00 0.00 O ATOM 229 CB ILE A 17 -21.337 0.068 5.816 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.951 -0.594 7.140 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.785 0.534 5.853 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.160 0.297 8.344 1.00 0.00 C ATOM 0 H ILE A 17 -19.177 -1.126 5.405 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.855 -1.709 4.708 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.699 0.939 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.537 -1.505 7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.903 -0.892 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.924 1.223 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.028 1.040 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.441 -0.327 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.866 -0.237 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.553 1.197 8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.212 0.575 8.413 1.00 0.00 H new ATOM 244 N GLU A 18 -20.492 0.880 3.130 1.00 0.00 N ATOM 245 CA GLU A 18 -20.564 1.680 1.914 1.00 0.00 C ATOM 246 C GLU A 18 -19.201 1.757 1.232 1.00 0.00 C ATOM 247 O GLU A 18 -18.461 2.725 1.407 1.00 0.00 O ATOM 248 CB GLU A 18 -21.067 3.089 2.233 1.00 0.00 C ATOM 249 CG GLU A 18 -22.370 3.108 3.014 1.00 0.00 C ATOM 250 CD GLU A 18 -23.107 4.427 2.887 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.517 5.387 2.348 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.274 4.500 3.325 1.00 0.00 O ATOM 0 H GLU A 18 -19.781 1.185 3.794 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.265 1.197 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.303 3.618 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.204 3.636 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.013 2.302 2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.162 2.912 4.066 1.00 0.00 H new ATOM 259 N ASP A 19 -18.876 0.729 0.455 1.00 0.00 N ATOM 260 CA ASP A 19 -17.603 0.679 -0.254 1.00 0.00 C ATOM 261 C ASP A 19 -17.384 1.950 -1.070 1.00 0.00 C ATOM 262 O ASP A 19 -18.338 2.643 -1.427 1.00 0.00 O ATOM 263 CB ASP A 19 -17.552 -0.544 -1.171 1.00 0.00 C ATOM 264 CG ASP A 19 -16.133 -0.963 -1.501 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.506 -0.308 -2.360 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.649 -1.944 -0.899 1.00 0.00 O ATOM 0 H ASP A 19 -19.477 -0.081 0.300 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.807 0.602 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.071 -1.375 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.087 -0.324 -2.095 1.00 0.00 H new ATOM 271 N LEU A 20 -16.123 2.252 -1.359 1.00 0.00 N ATOM 272 CA LEU A 20 -15.779 3.441 -2.132 1.00 0.00 C ATOM 273 C LEU A 20 -16.564 3.487 -3.439 1.00 0.00 C ATOM 274 O LEU A 20 -17.241 2.525 -3.801 1.00 0.00 O ATOM 275 CB LEU A 20 -14.278 3.466 -2.424 1.00 0.00 C ATOM 276 CG LEU A 20 -13.357 3.254 -1.222 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.202 2.335 -1.590 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.836 4.588 -0.707 1.00 0.00 C ATOM 0 H LEU A 20 -15.322 1.691 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.043 4.318 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.059 2.696 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.033 4.425 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.933 2.780 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.557 2.196 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.593 1.369 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.627 2.781 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.182 4.418 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.277 5.090 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.675 5.214 -0.403 1.00 0.00 H new ATOM 290 N GLU A 21 -16.466 4.610 -4.143 1.00 0.00 N ATOM 291 CA GLU A 21 -17.166 4.780 -5.411 1.00 0.00 C ATOM 292 C GLU A 21 -16.177 4.961 -6.558 1.00 0.00 C ATOM 293 O GLU A 21 -15.951 4.044 -7.348 1.00 0.00 O ATOM 294 CB GLU A 21 -18.109 5.983 -5.341 1.00 0.00 C ATOM 295 CG GLU A 21 -19.250 5.805 -4.353 1.00 0.00 C ATOM 296 CD GLU A 21 -20.496 6.570 -4.757 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.880 6.495 -5.943 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.087 7.242 -3.886 1.00 0.00 O ATOM 0 H GLU A 21 -15.909 5.415 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.751 3.879 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.536 6.868 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.523 6.168 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.490 4.745 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.927 6.139 -3.367 1.00 0.00 H new ATOM 305 N ASP A 22 -15.591 6.151 -6.644 1.00 0.00 N ATOM 306 CA ASP A 22 -14.625 6.454 -7.694 1.00 0.00 C ATOM 307 C ASP A 22 -14.123 7.889 -7.572 1.00 0.00 C ATOM 308 O ASP A 22 -14.723 8.711 -6.880 1.00 0.00 O ATOM 309 CB ASP A 22 -15.252 6.234 -9.071 1.00 0.00 C ATOM 310 CG ASP A 22 -16.630 6.856 -9.186 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.590 6.279 -8.633 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.749 7.920 -9.828 1.00 0.00 O ATOM 0 H ASP A 22 -15.768 6.921 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.776 5.781 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.601 6.657 -9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.322 5.164 -9.268 1.00 0.00 H new ATOM 317 N VAL A 23 -13.018 8.183 -8.250 1.00 0.00 N ATOM 318 CA VAL A 23 -12.435 9.519 -8.219 1.00 0.00 C ATOM 319 C VAL A 23 -11.703 9.830 -9.520 1.00 0.00 C ATOM 320 O VAL A 23 -11.084 8.952 -10.121 1.00 0.00 O ATOM 321 CB VAL A 23 -11.454 9.675 -7.041 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.820 11.058 -7.055 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.163 9.417 -5.720 1.00 0.00 C ATOM 0 H VAL A 23 -12.509 7.514 -8.827 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.259 10.221 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.660 8.936 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.130 11.151 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.276 11.200 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.599 11.816 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.455 9.531 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.978 10.131 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.564 8.404 -5.714 1.00 0.00 H new ATOM 333 N ASP A 24 -11.779 11.085 -9.949 1.00 0.00 N ATOM 334 CA ASP A 24 -11.123 11.513 -11.179 1.00 0.00 C ATOM 335 C ASP A 24 -10.811 13.006 -11.137 1.00 0.00 C ATOM 336 O ASP A 24 -11.703 13.842 -11.286 1.00 0.00 O ATOM 337 CB ASP A 24 -12.004 11.198 -12.389 1.00 0.00 C ATOM 338 CG ASP A 24 -13.407 11.753 -12.244 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.196 11.176 -11.467 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.716 12.764 -12.909 1.00 0.00 O ATOM 0 H ASP A 24 -12.288 11.823 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.185 10.966 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.544 11.611 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.056 10.118 -12.525 1.00 0.00 H new ATOM 345 N VAL A 25 -9.540 13.335 -10.931 1.00 0.00 N ATOM 346 CA VAL A 25 -9.110 14.726 -10.869 1.00 0.00 C ATOM 347 C VAL A 25 -7.681 14.884 -11.377 1.00 0.00 C ATOM 348 O VAL A 25 -6.930 13.912 -11.454 1.00 0.00 O ATOM 349 CB VAL A 25 -9.196 15.277 -9.433 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.596 15.087 -8.871 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.160 14.607 -8.543 1.00 0.00 C ATOM 0 H VAL A 25 -8.789 12.656 -10.804 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.785 15.294 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.983 16.346 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.637 15.482 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.314 15.617 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.841 14.025 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.235 15.008 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.340 13.532 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.162 14.800 -8.937 1.00 0.00 H new ATOM 361 N GLN A 26 -7.314 16.114 -11.722 1.00 0.00 N ATOM 362 CA GLN A 26 -5.975 16.398 -12.224 1.00 0.00 C ATOM 363 C GLN A 26 -4.918 16.048 -11.181 1.00 0.00 C ATOM 364 O GLN A 26 -5.065 16.370 -10.003 1.00 0.00 O ATOM 365 CB GLN A 26 -5.855 17.872 -12.614 1.00 0.00 C ATOM 366 CG GLN A 26 -5.707 18.806 -11.423 1.00 0.00 C ATOM 367 CD GLN A 26 -6.321 20.170 -11.672 1.00 0.00 C ATOM 368 OE1 GLN A 26 -5.668 21.199 -11.495 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.583 20.185 -12.085 1.00 0.00 N ATOM 0 H GLN A 26 -7.925 16.929 -11.663 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.807 15.782 -13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.995 17.996 -13.272 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.737 18.161 -13.185 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.178 18.353 -10.550 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.649 18.925 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.086 19.308 -12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.049 21.074 -12.269 1.00 0.00 H new ATOM 378 N GLU A 27 -3.853 15.387 -11.624 1.00 0.00 N ATOM 379 CA GLU A 27 -2.772 14.993 -10.728 1.00 0.00 C ATOM 380 C GLU A 27 -2.264 16.190 -9.929 1.00 0.00 C ATOM 381 O GLU A 27 -2.238 17.315 -10.425 1.00 0.00 O ATOM 382 CB GLU A 27 -1.622 14.371 -11.523 1.00 0.00 C ATOM 383 CG GLU A 27 -0.696 15.395 -12.157 1.00 0.00 C ATOM 384 CD GLU A 27 0.582 15.595 -11.366 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.517 16.194 -10.273 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.649 15.151 -11.842 1.00 0.00 O ATOM 0 H GLU A 27 -3.716 15.113 -12.597 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.164 14.253 -10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.041 13.728 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.035 13.734 -12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.446 15.076 -13.169 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.219 16.348 -12.243 1.00 0.00 H new ATOM 393 N GLY A 28 -1.860 15.937 -8.688 1.00 0.00 N ATOM 394 CA GLY A 28 -1.359 17.002 -7.839 1.00 0.00 C ATOM 395 C GLY A 28 -2.419 17.543 -6.900 1.00 0.00 C ATOM 396 O GLY A 28 -2.110 18.276 -5.961 1.00 0.00 O ATOM 0 H GLY A 28 -1.871 15.013 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.516 16.631 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.983 17.813 -8.463 1.00 0.00 H new ATOM 400 N SER A 29 -3.673 17.181 -7.154 1.00 0.00 N ATOM 401 CA SER A 29 -4.783 17.639 -6.327 1.00 0.00 C ATOM 402 C SER A 29 -5.037 16.672 -5.175 1.00 0.00 C ATOM 403 O SER A 29 -4.304 15.701 -4.992 1.00 0.00 O ATOM 404 CB SER A 29 -6.049 17.788 -7.173 1.00 0.00 C ATOM 405 OG SER A 29 -5.992 18.953 -7.976 1.00 0.00 O ATOM 0 H SER A 29 -3.945 16.572 -7.926 1.00 0.00 H new ATOM 0 HA SER A 29 -4.517 18.610 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.171 16.911 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.922 17.834 -6.522 1.00 0.00 H new ATOM 0 HG SER A 29 -6.812 19.024 -8.508 1.00 0.00 H new ATOM 411 N SER A 30 -6.082 16.946 -4.401 1.00 0.00 N ATOM 412 CA SER A 30 -6.433 16.103 -3.264 1.00 0.00 C ATOM 413 C SER A 30 -7.675 15.270 -3.567 1.00 0.00 C ATOM 414 O SER A 30 -8.798 15.770 -3.513 1.00 0.00 O ATOM 415 CB SER A 30 -6.671 16.961 -2.020 1.00 0.00 C ATOM 416 OG SER A 30 -6.139 18.263 -2.189 1.00 0.00 O ATOM 0 H SER A 30 -6.700 17.745 -4.540 1.00 0.00 H new ATOM 0 HA SER A 30 -5.600 15.425 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.740 17.025 -1.818 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.211 16.486 -1.154 1.00 0.00 H new ATOM 0 HG SER A 30 -6.306 18.792 -1.381 1.00 0.00 H new ATOM 422 N ALA A 31 -7.464 13.998 -3.885 1.00 0.00 N ATOM 423 CA ALA A 31 -8.565 13.095 -4.195 1.00 0.00 C ATOM 424 C ALA A 31 -9.153 12.490 -2.925 1.00 0.00 C ATOM 425 O ALA A 31 -8.460 11.804 -2.172 1.00 0.00 O ATOM 426 CB ALA A 31 -8.098 11.996 -5.138 1.00 0.00 C ATOM 0 H ALA A 31 -6.540 13.569 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.347 13.672 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.931 11.329 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.733 12.441 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.295 11.429 -4.667 1.00 0.00 H new ATOM 432 N THR A 32 -10.436 12.747 -2.691 1.00 0.00 N ATOM 433 CA THR A 32 -11.117 12.230 -1.510 1.00 0.00 C ATOM 434 C THR A 32 -11.656 10.826 -1.758 1.00 0.00 C ATOM 435 O THR A 32 -12.271 10.559 -2.791 1.00 0.00 O ATOM 436 CB THR A 32 -12.279 13.146 -1.085 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.782 14.449 -0.761 1.00 0.00 O ATOM 438 CG2 THR A 32 -13.015 12.566 0.113 1.00 0.00 C ATOM 0 H THR A 32 -11.025 13.311 -3.304 1.00 0.00 H new ATOM 0 HA THR A 32 -10.379 12.197 -0.708 1.00 0.00 H new ATOM 0 HB THR A 32 -12.977 13.221 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.527 15.026 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.832 13.231 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.417 11.587 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.324 12.464 0.950 1.00 0.00 H new ATOM 446 N PHE A 33 -11.423 9.930 -0.804 1.00 0.00 N ATOM 447 CA PHE A 33 -11.886 8.552 -0.920 1.00 0.00 C ATOM 448 C PHE A 33 -12.638 8.124 0.337 1.00 0.00 C ATOM 449 O PHE A 33 -12.048 7.583 1.272 1.00 0.00 O ATOM 450 CB PHE A 33 -10.703 7.613 -1.165 1.00 0.00 C ATOM 451 CG PHE A 33 -10.300 7.521 -2.609 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.068 6.805 -3.512 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.153 8.152 -3.063 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.698 6.718 -4.841 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.778 8.069 -4.391 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.553 7.352 -5.281 1.00 0.00 C ATOM 0 H PHE A 33 -10.916 10.134 0.058 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.568 8.494 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.850 7.956 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.959 6.617 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.966 6.309 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.545 8.715 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.304 6.154 -5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.881 8.564 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.264 7.287 -6.320 1.00 0.00 H new ATOM 466 N ARG A 34 -13.944 8.372 0.351 1.00 0.00 N ATOM 467 CA ARG A 34 -14.777 8.014 1.493 1.00 0.00 C ATOM 468 C ARG A 34 -15.207 6.552 1.415 1.00 0.00 C ATOM 469 O ARG A 34 -15.366 5.998 0.327 1.00 0.00 O ATOM 470 CB ARG A 34 -16.010 8.917 1.554 1.00 0.00 C ATOM 471 CG ARG A 34 -15.854 10.098 2.498 1.00 0.00 C ATOM 472 CD ARG A 34 -16.852 11.201 2.181 1.00 0.00 C ATOM 473 NE ARG A 34 -16.710 11.690 0.812 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.596 12.482 0.219 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.682 12.872 0.872 1.00 0.00 N ATOM 476 NH2 ARG A 34 -17.397 12.885 -1.029 1.00 0.00 N ATOM 0 H ARG A 34 -14.448 8.819 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.188 8.153 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.227 9.289 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.869 8.324 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.994 9.764 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.840 10.492 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.865 10.827 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.712 12.028 2.878 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.885 11.408 0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.838 12.564 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.361 13.480 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.563 12.587 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.078 13.493 -1.483 1.00 0.00 H new ATOM 490 N CYS A 35 -15.393 5.933 2.576 1.00 0.00 N ATOM 491 CA CYS A 35 -15.803 4.535 2.640 1.00 0.00 C ATOM 492 C CYS A 35 -16.323 4.184 4.030 1.00 0.00 C ATOM 493 O CYS A 35 -15.643 4.406 5.032 1.00 0.00 O ATOM 494 CB CYS A 35 -14.633 3.621 2.273 1.00 0.00 C ATOM 495 SG CYS A 35 -13.152 3.880 3.278 1.00 0.00 S ATOM 0 H CYS A 35 -15.266 6.377 3.485 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.610 4.385 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.951 2.583 2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.379 3.776 1.224 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.183 4.303 2.522 1.00 0.00 H new ATOM 501 N ARG A 36 -17.533 3.636 4.083 1.00 0.00 N ATOM 502 CA ARG A 36 -18.145 3.256 5.350 1.00 0.00 C ATOM 503 C ARG A 36 -17.908 1.779 5.648 1.00 0.00 C ATOM 504 O ARG A 36 -18.447 0.905 4.968 1.00 0.00 O ATOM 505 CB ARG A 36 -19.646 3.548 5.324 1.00 0.00 C ATOM 506 CG ARG A 36 -20.237 3.829 6.696 1.00 0.00 C ATOM 507 CD ARG A 36 -21.756 3.877 6.649 1.00 0.00 C ATOM 508 NE ARG A 36 -22.347 3.792 7.982 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.600 4.138 8.253 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.390 4.590 7.289 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.066 4.033 9.492 1.00 0.00 N ATOM 0 H ARG A 36 -18.109 3.445 3.263 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.681 3.847 6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.829 4.405 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.165 2.698 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.918 3.057 7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.853 4.778 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.075 4.802 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.126 3.056 6.035 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.766 3.448 8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.036 4.673 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.352 4.855 7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.461 3.686 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.029 4.299 9.699 1.00 0.00 H new ATOM 525 N ILE A 37 -17.100 1.507 6.667 1.00 0.00 N ATOM 526 CA ILE A 37 -16.793 0.136 7.054 1.00 0.00 C ATOM 527 C ILE A 37 -16.980 -0.067 8.554 1.00 0.00 C ATOM 528 O ILE A 37 -16.486 0.718 9.363 1.00 0.00 O ATOM 529 CB ILE A 37 -15.352 -0.248 6.671 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.350 0.640 7.412 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.156 -0.136 5.167 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.759 -0.011 8.642 1.00 0.00 C ATOM 0 H ILE A 37 -16.646 2.219 7.240 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.487 -0.507 6.513 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.178 -1.283 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.543 0.910 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.844 1.567 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.132 -0.411 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.849 -0.807 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.346 0.890 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.058 0.676 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.557 -0.256 9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.235 -0.923 8.355 1.00 0.00 H new ATOM 544 N SER A 38 -17.696 -1.126 8.918 1.00 0.00 N ATOM 545 CA SER A 38 -17.950 -1.432 10.321 1.00 0.00 C ATOM 546 C SER A 38 -16.853 -2.327 10.889 1.00 0.00 C ATOM 547 O SER A 38 -16.194 -3.077 10.169 1.00 0.00 O ATOM 548 CB SER A 38 -19.312 -2.111 10.478 1.00 0.00 C ATOM 549 OG SER A 38 -19.274 -3.099 11.494 1.00 0.00 O ATOM 0 H SER A 38 -18.111 -1.787 8.261 1.00 0.00 H new ATOM 0 HA SER A 38 -17.954 -0.495 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.069 -1.365 10.720 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.606 -2.568 9.533 1.00 0.00 H new ATOM 0 HG SER A 38 -20.156 -3.518 11.576 1.00 0.00 H new ATOM 555 N PRO A 39 -16.652 -2.248 12.213 1.00 0.00 N ATOM 556 CA PRO A 39 -17.431 -1.359 13.080 1.00 0.00 C ATOM 557 C PRO A 39 -17.105 0.112 12.843 1.00 0.00 C ATOM 558 O PRO A 39 -15.989 0.456 12.455 1.00 0.00 O ATOM 559 CB PRO A 39 -17.010 -1.780 14.490 1.00 0.00 C ATOM 560 CG PRO A 39 -15.652 -2.368 14.320 1.00 0.00 C ATOM 561 CD PRO A 39 -15.650 -3.020 12.965 1.00 0.00 C ATOM 0 HA PRO A 39 -18.502 -1.446 12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.990 -0.927 15.168 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.706 -2.506 14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.883 -1.598 14.384 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.441 -3.096 15.104 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.668 -2.968 12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.919 -4.075 13.026 1.00 0.00 H new ATOM 569 N ALA A 40 -18.086 0.977 13.081 1.00 0.00 N ATOM 570 CA ALA A 40 -17.902 2.411 12.896 1.00 0.00 C ATOM 571 C ALA A 40 -16.651 2.901 13.617 1.00 0.00 C ATOM 572 O ALA A 40 -16.023 3.872 13.198 1.00 0.00 O ATOM 573 CB ALA A 40 -19.128 3.167 13.387 1.00 0.00 C ATOM 0 H ALA A 40 -19.016 0.709 13.402 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.773 2.602 11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.977 4.237 13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.004 2.845 12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.282 2.962 14.446 1.00 0.00 H new ATOM 579 N ASN A 41 -16.296 2.223 14.704 1.00 0.00 N ATOM 580 CA ASN A 41 -15.120 2.591 15.484 1.00 0.00 C ATOM 581 C ASN A 41 -13.972 1.620 15.228 1.00 0.00 C ATOM 582 O ASN A 41 -13.270 1.215 16.155 1.00 0.00 O ATOM 583 CB ASN A 41 -15.460 2.616 16.976 1.00 0.00 C ATOM 584 CG ASN A 41 -15.873 1.253 17.497 1.00 0.00 C ATOM 585 OD1 ASN A 41 -15.067 0.529 18.082 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.135 0.897 17.287 1.00 0.00 N ATOM 0 H ASN A 41 -16.806 1.416 15.064 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.805 3.587 15.173 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.595 2.970 17.537 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.266 3.328 17.150 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.471 -0.008 17.615 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.768 1.529 16.797 1.00 0.00 H new ATOM 593 N TYR A 42 -13.786 1.252 13.966 1.00 0.00 N ATOM 594 CA TYR A 42 -12.724 0.327 13.587 1.00 0.00 C ATOM 595 C TYR A 42 -11.415 1.072 13.341 1.00 0.00 C ATOM 596 O TYR A 42 -11.402 2.137 12.725 1.00 0.00 O ATOM 597 CB TYR A 42 -13.122 -0.455 12.335 1.00 0.00 C ATOM 598 CG TYR A 42 -12.022 -1.344 11.801 1.00 0.00 C ATOM 599 CD1 TYR A 42 -11.046 -0.839 10.950 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.958 -2.688 12.147 1.00 0.00 C ATOM 601 CE1 TYR A 42 -10.039 -1.648 10.459 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.954 -3.504 11.662 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.997 -2.979 10.818 1.00 0.00 C ATOM 604 OH TYR A 42 -8.995 -3.788 10.332 1.00 0.00 O ATOM 0 H TYR A 42 -14.357 1.580 13.187 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.575 -0.371 14.410 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.995 -1.067 12.562 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.419 0.248 11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.075 0.203 10.668 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.706 -3.102 12.807 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.289 -1.240 9.798 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.919 -4.547 11.942 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.961 -4.617 10.854 1.00 0.00 H new ATOM 614 N GLU A 43 -10.317 0.502 13.827 1.00 0.00 N ATOM 615 CA GLU A 43 -9.003 1.111 13.660 1.00 0.00 C ATOM 616 C GLU A 43 -7.926 0.279 14.349 1.00 0.00 C ATOM 617 O GLU A 43 -8.200 -0.516 15.248 1.00 0.00 O ATOM 618 CB GLU A 43 -9.001 2.534 14.222 1.00 0.00 C ATOM 619 CG GLU A 43 -9.867 2.701 15.459 1.00 0.00 C ATOM 620 CD GLU A 43 -9.537 3.960 16.237 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.892 4.861 15.663 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.924 4.042 17.422 1.00 0.00 O ATOM 0 H GLU A 43 -10.311 -0.380 14.339 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.781 1.149 12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.977 2.818 14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.348 3.221 13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.916 2.726 15.163 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.739 1.834 16.107 1.00 0.00 H new ATOM 629 N PRO A 44 -6.669 0.464 13.917 1.00 0.00 N ATOM 630 CA PRO A 44 -6.331 1.407 12.847 1.00 0.00 C ATOM 631 C PRO A 44 -6.834 0.943 11.485 1.00 0.00 C ATOM 632 O PRO A 44 -7.404 -0.140 11.358 1.00 0.00 O ATOM 633 CB PRO A 44 -4.800 1.436 12.871 1.00 0.00 C ATOM 634 CG PRO A 44 -4.406 0.122 13.453 1.00 0.00 C ATOM 635 CD PRO A 44 -5.482 -0.233 14.440 1.00 0.00 C ATOM 0 HA PRO A 44 -6.792 2.382 13.002 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.391 1.564 11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.429 2.264 13.475 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.322 -0.639 12.677 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.434 0.188 13.942 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.639 -1.310 14.493 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.230 0.102 15.446 1.00 0.00 H new ATOM 643 N VAL A 45 -6.619 1.771 10.467 1.00 0.00 N ATOM 644 CA VAL A 45 -7.050 1.444 9.113 1.00 0.00 C ATOM 645 C VAL A 45 -5.886 1.527 8.131 1.00 0.00 C ATOM 646 O VAL A 45 -4.998 2.368 8.273 1.00 0.00 O ATOM 647 CB VAL A 45 -8.174 2.384 8.639 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.450 2.131 9.428 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.741 3.837 8.763 1.00 0.00 C ATOM 0 H VAL A 45 -6.149 2.672 10.554 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.428 0.422 9.139 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.377 2.177 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.233 2.804 9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.768 1.099 9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.264 2.309 10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.547 4.487 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.509 4.060 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.856 4.006 8.150 1.00 0.00 H new ATOM 659 N HIS A 46 -5.897 0.649 7.133 1.00 0.00 N ATOM 660 CA HIS A 46 -4.843 0.623 6.126 1.00 0.00 C ATOM 661 C HIS A 46 -5.356 1.149 4.789 1.00 0.00 C ATOM 662 O HIS A 46 -6.551 1.082 4.502 1.00 0.00 O ATOM 663 CB HIS A 46 -4.306 -0.799 5.955 1.00 0.00 C ATOM 664 CG HIS A 46 -3.746 -1.383 7.216 1.00 0.00 C ATOM 665 ND1 HIS A 46 -2.964 -0.664 8.095 1.00 0.00 N ATOM 666 CD2 HIS A 46 -3.861 -2.624 7.743 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.620 -1.439 9.109 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.152 -2.633 8.920 1.00 0.00 N ATOM 0 H HIS A 46 -6.624 -0.054 7.000 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.035 1.270 6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.109 -1.441 5.592 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.530 -0.796 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.408 -3.453 7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.008 -1.146 9.949 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.053 -3.432 9.546 1.00 0.00 H new ATOM 676 N TRP A 47 -4.445 1.672 3.976 1.00 0.00 N ATOM 677 CA TRP A 47 -4.806 2.211 2.670 1.00 0.00 C ATOM 678 C TRP A 47 -3.717 1.924 1.643 1.00 0.00 C ATOM 679 O TRP A 47 -2.555 2.281 1.840 1.00 0.00 O ATOM 680 CB TRP A 47 -5.050 3.718 2.766 1.00 0.00 C ATOM 681 CG TRP A 47 -6.340 4.069 3.443 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.576 4.107 4.788 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.571 4.430 2.807 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.880 4.469 5.026 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.511 4.674 3.828 1.00 0.00 C ATOM 686 CE3 TRP A 47 -7.970 4.572 1.476 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.824 5.051 3.556 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.273 4.946 1.207 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.187 5.183 2.243 1.00 0.00 C ATOM 0 H TRP A 47 -3.451 1.734 4.198 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.724 1.722 2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.225 4.178 3.310 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.047 4.144 1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.845 3.885 5.552 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.309 4.569 5.946 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.273 4.393 0.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.530 5.233 4.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.592 5.058 0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.198 5.476 2.000 1.00 0.00 H new ATOM 700 N PHE A 48 -4.099 1.279 0.545 1.00 0.00 N ATOM 701 CA PHE A 48 -3.153 0.944 -0.513 1.00 0.00 C ATOM 702 C PHE A 48 -3.635 1.473 -1.860 1.00 0.00 C ATOM 703 O PHE A 48 -4.814 1.785 -2.032 1.00 0.00 O ATOM 704 CB PHE A 48 -2.955 -0.571 -0.588 1.00 0.00 C ATOM 705 CG PHE A 48 -2.431 -1.172 0.685 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.289 -1.458 1.735 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.082 -1.450 0.831 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.809 -2.009 2.908 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.597 -2.002 2.002 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.462 -2.283 3.041 1.00 0.00 C ATOM 0 H PHE A 48 -5.057 0.978 0.365 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.199 1.416 -0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.906 -1.042 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.264 -0.799 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.344 -1.248 1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.401 -1.233 0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.487 -2.225 3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.457 -2.213 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.086 -2.716 3.956 1.00 0.00 H new ATOM 720 N LEU A 49 -2.715 1.573 -2.813 1.00 0.00 N ATOM 721 CA LEU A 49 -3.044 2.064 -4.147 1.00 0.00 C ATOM 722 C LEU A 49 -2.313 1.263 -5.219 1.00 0.00 C ATOM 723 O LEU A 49 -1.108 1.422 -5.414 1.00 0.00 O ATOM 724 CB LEU A 49 -2.685 3.546 -4.268 1.00 0.00 C ATOM 725 CG LEU A 49 -2.970 4.197 -5.622 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.777 4.040 -6.552 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.220 3.597 -6.249 1.00 0.00 C ATOM 0 H LEU A 49 -1.735 1.321 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.117 1.942 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.231 4.095 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.624 3.661 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.142 5.261 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.999 4.509 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.904 4.517 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.572 2.980 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.408 4.072 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.076 2.526 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.073 3.762 -5.590 1.00 0.00 H new ATOM 739 N ASP A 50 -3.050 0.403 -5.913 1.00 0.00 N ATOM 740 CA ASP A 50 -2.473 -0.422 -6.968 1.00 0.00 C ATOM 741 C ASP A 50 -1.500 -1.444 -6.388 1.00 0.00 C ATOM 742 O ASP A 50 -1.838 -2.617 -6.226 1.00 0.00 O ATOM 743 CB ASP A 50 -1.758 0.455 -7.996 1.00 0.00 C ATOM 744 CG ASP A 50 -2.504 0.526 -9.315 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.752 0.478 -9.294 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.839 0.632 -10.367 1.00 0.00 O ATOM 0 H ASP A 50 -4.049 0.259 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.284 -0.958 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.642 1.461 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.756 0.063 -8.169 1.00 0.00 H new ATOM 751 N LYS A 51 -0.290 -0.991 -6.078 1.00 0.00 N ATOM 752 CA LYS A 51 0.733 -1.864 -5.516 1.00 0.00 C ATOM 753 C LYS A 51 1.689 -1.079 -4.624 1.00 0.00 C ATOM 754 O LYS A 51 2.900 -1.298 -4.648 1.00 0.00 O ATOM 755 CB LYS A 51 1.516 -2.554 -6.636 1.00 0.00 C ATOM 756 CG LYS A 51 0.636 -3.311 -7.616 1.00 0.00 C ATOM 757 CD LYS A 51 1.455 -3.935 -8.734 1.00 0.00 C ATOM 758 CE LYS A 51 0.694 -5.060 -9.420 1.00 0.00 C ATOM 759 NZ LYS A 51 1.062 -5.180 -10.858 1.00 0.00 N ATOM 0 H LYS A 51 0.006 -0.023 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 51 0.235 -2.620 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.091 -1.805 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.232 -3.247 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.088 -4.090 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.104 -2.633 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.715 -3.171 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.391 -4.321 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.901 -6.002 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.377 -4.880 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.523 -5.957 -11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.841 -4.290 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.080 -5.377 -10.941 1.00 0.00 H new ATOM 773 N THR A 52 1.136 -0.163 -3.834 1.00 0.00 N ATOM 774 CA THR A 52 1.939 0.655 -2.934 1.00 0.00 C ATOM 775 C THR A 52 1.126 1.098 -1.722 1.00 0.00 C ATOM 776 O THR A 52 -0.004 1.570 -1.842 1.00 0.00 O ATOM 777 CB THR A 52 2.493 1.901 -3.650 1.00 0.00 C ATOM 778 OG1 THR A 52 3.170 1.514 -4.851 1.00 0.00 O ATOM 779 CG2 THR A 52 3.449 2.664 -2.746 1.00 0.00 C ATOM 0 H THR A 52 0.135 0.031 -3.800 1.00 0.00 H new ATOM 0 HA THR A 52 2.773 0.036 -2.603 1.00 0.00 H new ATOM 0 HB THR A 52 1.656 2.553 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.518 2.311 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.827 3.540 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.923 2.982 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.283 2.018 -2.470 1.00 0.00 H new ATOM 787 N PRO A 53 1.714 0.945 -0.526 1.00 0.00 N ATOM 788 CA PRO A 53 1.062 1.325 0.730 1.00 0.00 C ATOM 789 C PRO A 53 0.929 2.836 0.880 1.00 0.00 C ATOM 790 O PRO A 53 1.645 3.600 0.232 1.00 0.00 O ATOM 791 CB PRO A 53 2.000 0.762 1.801 1.00 0.00 C ATOM 792 CG PRO A 53 3.332 0.692 1.138 1.00 0.00 C ATOM 793 CD PRO A 53 3.060 0.389 -0.309 1.00 0.00 C ATOM 0 HA PRO A 53 0.043 0.943 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.029 1.406 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.673 -0.222 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.871 1.634 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.952 -0.083 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.797 0.855 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.089 -0.682 -0.508 1.00 0.00 H new ATOM 801 N LEU A 54 0.009 3.262 1.739 1.00 0.00 N ATOM 802 CA LEU A 54 -0.218 4.684 1.974 1.00 0.00 C ATOM 803 C LEU A 54 -0.303 4.982 3.468 1.00 0.00 C ATOM 804 O LEU A 54 -0.990 4.282 4.213 1.00 0.00 O ATOM 805 CB LEU A 54 -1.502 5.138 1.278 1.00 0.00 C ATOM 806 CG LEU A 54 -1.530 4.988 -0.243 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.955 4.789 -0.734 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.898 6.201 -0.911 1.00 0.00 C ATOM 0 H LEU A 54 -0.592 2.643 2.284 1.00 0.00 H new ATOM 0 HA LEU A 54 0.626 5.235 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.336 4.573 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.673 6.186 1.523 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.949 4.106 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.955 4.684 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.373 3.889 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.560 5.651 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.927 6.076 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.451 7.098 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.137 6.298 -0.584 1.00 0.00 H new ATOM 820 N HIS A 55 0.398 6.025 3.899 1.00 0.00 N ATOM 821 CA HIS A 55 0.400 6.418 5.304 1.00 0.00 C ATOM 822 C HIS A 55 0.282 7.932 5.445 1.00 0.00 C ATOM 823 O HIS A 55 0.874 8.685 4.672 1.00 0.00 O ATOM 824 CB HIS A 55 1.674 5.927 5.991 1.00 0.00 C ATOM 825 CG HIS A 55 2.005 4.497 5.690 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.288 3.435 6.199 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.982 3.957 4.924 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.810 2.304 5.762 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.839 2.593 4.986 1.00 0.00 N ATOM 0 H HIS A 55 0.972 6.614 3.296 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.463 5.958 5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.509 6.557 5.683 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.565 6.047 7.069 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.733 4.498 4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.456 1.311 5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.432 1.913 4.510 1.00 0.00 H new ATOM 837 N ALA A 56 -0.486 8.372 6.437 1.00 0.00 N ATOM 838 CA ALA A 56 -0.679 9.796 6.680 1.00 0.00 C ATOM 839 C ALA A 56 0.658 10.525 6.765 1.00 0.00 C ATOM 840 O ALA A 56 1.614 10.020 7.350 1.00 0.00 O ATOM 841 CB ALA A 56 -1.481 10.009 7.955 1.00 0.00 C ATOM 0 H ALA A 56 -0.984 7.762 7.085 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.236 10.211 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.618 11.077 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.455 9.529 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.946 9.573 8.799 1.00 0.00 H new ATOM 847 N ASN A 57 0.716 11.715 6.176 1.00 0.00 N ATOM 848 CA ASN A 57 1.936 12.513 6.185 1.00 0.00 C ATOM 849 C ASN A 57 1.645 13.956 5.784 1.00 0.00 C ATOM 850 O ASN A 57 0.488 14.365 5.696 1.00 0.00 O ATOM 851 CB ASN A 57 2.973 11.908 5.236 1.00 0.00 C ATOM 852 CG ASN A 57 4.388 12.039 5.765 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.603 12.501 6.886 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.361 11.633 4.959 1.00 0.00 N ATOM 0 H ASN A 57 -0.067 12.148 5.687 1.00 0.00 H new ATOM 0 HA ASN A 57 2.335 12.509 7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.744 10.854 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.904 12.400 4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.333 11.697 5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.137 11.257 4.038 1.00 0.00 H new ATOM 861 N GLU A 58 2.704 14.723 5.543 1.00 0.00 N ATOM 862 CA GLU A 58 2.562 16.120 5.152 1.00 0.00 C ATOM 863 C GLU A 58 1.643 16.256 3.941 1.00 0.00 C ATOM 864 O GLU A 58 0.998 17.287 3.750 1.00 0.00 O ATOM 865 CB GLU A 58 3.931 16.727 4.838 1.00 0.00 C ATOM 866 CG GLU A 58 3.859 18.146 4.299 1.00 0.00 C ATOM 867 CD GLU A 58 4.828 19.083 4.993 1.00 0.00 C ATOM 868 OE1 GLU A 58 5.872 18.603 5.481 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.542 20.298 5.047 1.00 0.00 O ATOM 0 H GLU A 58 3.669 14.400 5.612 1.00 0.00 H new ATOM 0 HA GLU A 58 2.116 16.660 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.538 16.722 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.440 16.096 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.072 18.136 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.844 18.525 4.419 1.00 0.00 H new ATOM 876 N LEU A 59 1.589 15.208 3.127 1.00 0.00 N ATOM 877 CA LEU A 59 0.750 15.208 1.934 1.00 0.00 C ATOM 878 C LEU A 59 -0.422 14.245 2.092 1.00 0.00 C ATOM 879 O LEU A 59 -1.557 14.573 1.750 1.00 0.00 O ATOM 880 CB LEU A 59 1.577 14.826 0.705 1.00 0.00 C ATOM 881 CG LEU A 59 2.926 15.531 0.557 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.804 14.799 -0.445 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.727 16.980 0.135 1.00 0.00 C ATOM 0 H LEU A 59 2.116 14.347 3.271 1.00 0.00 H new ATOM 0 HA LEU A 59 0.353 16.214 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.753 13.751 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.983 15.031 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 59 3.428 15.520 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.760 15.315 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.975 13.779 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.308 14.778 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.697 17.466 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.204 17.012 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.137 17.501 0.889 1.00 0.00 H new ATOM 895 N ASN A 60 -0.138 13.057 2.614 1.00 0.00 N ATOM 896 CA ASN A 60 -1.170 12.046 2.820 1.00 0.00 C ATOM 897 C ASN A 60 -2.087 12.432 3.976 1.00 0.00 C ATOM 898 O ASN A 60 -1.623 12.719 5.079 1.00 0.00 O ATOM 899 CB ASN A 60 -0.530 10.684 3.094 1.00 0.00 C ATOM 900 CG ASN A 60 0.683 10.428 2.221 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.786 10.884 2.524 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.485 9.697 1.131 1.00 0.00 N ATOM 0 H ASN A 60 0.797 12.770 2.902 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.769 11.983 1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.238 10.628 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.267 9.899 2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.264 9.493 0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.446 9.339 0.919 1.00 0.00 H new ATOM 909 N GLU A 61 -3.390 12.436 3.715 1.00 0.00 N ATOM 910 CA GLU A 61 -4.372 12.787 4.735 1.00 0.00 C ATOM 911 C GLU A 61 -5.385 11.662 4.924 1.00 0.00 C ATOM 912 O GLU A 61 -5.988 11.187 3.961 1.00 0.00 O ATOM 913 CB GLU A 61 -5.095 14.081 4.355 1.00 0.00 C ATOM 914 CG GLU A 61 -4.685 15.277 5.197 1.00 0.00 C ATOM 915 CD GLU A 61 -3.189 15.333 5.442 1.00 0.00 C ATOM 916 OE1 GLU A 61 -2.422 15.176 4.470 1.00 0.00 O ATOM 917 OE2 GLU A 61 -2.787 15.533 6.608 1.00 0.00 O ATOM 0 H GLU A 61 -3.790 12.200 2.807 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.843 12.938 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.899 14.302 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.170 13.929 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.002 16.193 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.205 15.238 6.154 1.00 0.00 H new ATOM 924 N ILE A 62 -5.567 11.241 6.171 1.00 0.00 N ATOM 925 CA ILE A 62 -6.507 10.173 6.488 1.00 0.00 C ATOM 926 C ILE A 62 -7.389 10.550 7.673 1.00 0.00 C ATOM 927 O ILE A 62 -7.003 10.372 8.828 1.00 0.00 O ATOM 928 CB ILE A 62 -5.775 8.855 6.805 1.00 0.00 C ATOM 929 CG1 ILE A 62 -4.945 8.404 5.602 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.774 7.777 7.200 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.533 7.995 5.961 1.00 0.00 C ATOM 0 H ILE A 62 -5.076 11.624 6.979 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.131 10.030 5.606 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.100 9.024 7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.446 7.565 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.906 9.214 4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.242 6.852 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.326 8.098 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.471 7.608 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.003 7.687 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.015 8.839 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.563 7.164 6.666 1.00 0.00 H new ATOM 943 N ASP A 63 -8.576 11.069 7.378 1.00 0.00 N ATOM 944 CA ASP A 63 -9.515 11.469 8.419 1.00 0.00 C ATOM 945 C ASP A 63 -10.305 10.267 8.929 1.00 0.00 C ATOM 946 O ASP A 63 -10.099 9.141 8.478 1.00 0.00 O ATOM 947 CB ASP A 63 -10.473 12.537 7.888 1.00 0.00 C ATOM 948 CG ASP A 63 -10.365 13.842 8.651 1.00 0.00 C ATOM 949 OD1 ASP A 63 -10.105 13.797 9.872 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.541 14.910 8.028 1.00 0.00 O ATOM 0 H ASP A 63 -8.910 11.222 6.427 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.944 11.885 9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.263 12.717 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.496 12.167 7.950 1.00 0.00 H new ATOM 955 N ALA A 64 -11.208 10.516 9.872 1.00 0.00 N ATOM 956 CA ALA A 64 -12.029 9.455 10.442 1.00 0.00 C ATOM 957 C ALA A 64 -13.409 9.976 10.828 1.00 0.00 C ATOM 958 O ALA A 64 -13.751 10.036 12.008 1.00 0.00 O ATOM 959 CB ALA A 64 -11.336 8.844 11.651 1.00 0.00 C ATOM 0 H ALA A 64 -11.389 11.443 10.257 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.160 8.683 9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.960 8.053 12.067 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.376 8.427 11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.175 9.614 12.406 1.00 0.00 H new ATOM 965 N GLN A 65 -14.196 10.352 9.825 1.00 0.00 N ATOM 966 CA GLN A 65 -15.539 10.869 10.061 1.00 0.00 C ATOM 967 C GLN A 65 -16.349 9.908 10.924 1.00 0.00 C ATOM 968 O GLN A 65 -16.030 8.725 11.044 1.00 0.00 O ATOM 969 CB GLN A 65 -16.257 11.109 8.732 1.00 0.00 C ATOM 970 CG GLN A 65 -16.055 12.509 8.175 1.00 0.00 C ATOM 971 CD GLN A 65 -16.820 12.740 6.886 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.926 12.229 6.707 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.234 13.513 5.980 1.00 0.00 N ATOM 0 H GLN A 65 -13.927 10.308 8.842 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.448 11.816 10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.903 10.382 8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.324 10.932 8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.373 13.241 8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.993 12.676 7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.316 13.916 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.701 13.704 5.094 1.00 0.00 H new ATOM 982 N PRO A 66 -17.422 10.425 11.541 1.00 0.00 N ATOM 983 CA PRO A 66 -18.299 9.630 12.404 1.00 0.00 C ATOM 984 C PRO A 66 -19.120 8.614 11.616 1.00 0.00 C ATOM 985 O PRO A 66 -19.747 8.951 10.613 1.00 0.00 O ATOM 986 CB PRO A 66 -19.215 10.678 13.041 1.00 0.00 C ATOM 987 CG PRO A 66 -19.225 11.811 12.074 1.00 0.00 C ATOM 988 CD PRO A 66 -17.860 11.828 11.442 1.00 0.00 C ATOM 0 HA PRO A 66 -17.735 9.041 13.127 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.219 10.283 13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.840 10.992 14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.002 11.675 11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.433 12.754 12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.901 12.164 10.406 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.181 12.499 11.969 1.00 0.00 H new ATOM 996 N GLY A 67 -19.111 7.367 12.079 1.00 0.00 N ATOM 997 CA GLY A 67 -19.859 6.321 11.405 1.00 0.00 C ATOM 998 C GLY A 67 -18.984 5.468 10.508 1.00 0.00 C ATOM 999 O GLY A 67 -19.412 5.040 9.438 1.00 0.00 O ATOM 0 H GLY A 67 -18.600 7.063 12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.340 5.686 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.653 6.772 10.810 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.752 5.223 10.945 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.834 4.419 10.161 1.00 0.00 C ATOM 1005 C GLY A 68 -16.548 5.024 8.801 1.00 0.00 C ATOM 1006 O GLY A 68 -16.230 4.310 7.850 1.00 0.00 O ATOM 0 H GLY A 68 -17.374 5.567 11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.898 4.304 10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.251 3.420 10.030 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.663 6.344 8.708 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.419 7.046 7.453 1.00 0.00 C ATOM 1012 C TYR A 69 -14.954 7.453 7.332 1.00 0.00 C ATOM 1013 O TYR A 69 -14.562 8.541 7.756 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.313 8.283 7.354 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.644 8.016 6.686 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.677 7.394 7.376 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.867 8.385 5.365 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.894 7.147 6.770 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.081 8.145 4.752 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.091 7.525 5.458 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.301 7.282 4.850 1.00 0.00 O ATOM 0 H TYR A 69 -16.924 6.950 9.486 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.657 6.367 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.491 8.674 8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.786 9.058 6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.526 7.098 8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.077 8.868 4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.686 6.661 7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.239 8.441 3.725 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.170 6.673 4.093 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.147 6.571 6.750 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.724 6.838 6.572 1.00 0.00 C ATOM 1033 C HIS A 70 -12.475 7.614 5.282 1.00 0.00 C ATOM 1034 O HIS A 70 -12.638 7.082 4.184 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.937 5.527 6.553 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.032 4.753 7.831 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.576 5.235 9.040 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.537 3.523 8.085 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.794 4.335 9.981 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.377 3.287 9.429 1.00 0.00 N ATOM 0 H HIS A 70 -14.454 5.666 6.394 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.384 7.445 7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.301 4.906 5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.889 5.745 6.347 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.139 6.145 9.185 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.983 2.852 7.365 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.539 4.439 11.025 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.079 8.875 5.423 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.807 9.724 4.270 1.00 0.00 C ATOM 1050 C VAL A 71 -10.307 9.853 4.024 1.00 0.00 C ATOM 1051 O VAL A 71 -9.536 10.115 4.948 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.409 11.130 4.453 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.304 11.928 3.163 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.855 11.034 4.914 1.00 0.00 C ATOM 0 H VAL A 71 -11.939 9.331 6.325 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.274 9.247 3.409 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.840 11.652 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.734 12.918 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.256 12.027 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.846 11.412 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.265 12.036 5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.439 10.493 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.899 10.504 5.865 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.901 9.668 2.773 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.492 9.765 2.405 1.00 0.00 C ATOM 1066 C LEU A 72 -8.272 10.873 1.380 1.00 0.00 C ATOM 1067 O LEU A 72 -8.729 10.779 0.240 1.00 0.00 O ATOM 1068 CB LEU A 72 -7.999 8.430 1.843 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.569 8.416 1.303 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.594 7.980 2.386 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.465 7.503 0.090 1.00 0.00 C ATOM 0 H LEU A 72 -10.526 9.450 1.997 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.923 10.007 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.077 7.677 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.672 8.126 1.041 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.308 9.428 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.581 7.976 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.648 8.674 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.853 6.978 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.440 7.506 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.746 6.489 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.135 7.860 -0.692 1.00 0.00 H new ATOM 1083 N THR A 73 -7.568 11.922 1.792 1.00 0.00 N ATOM 1084 CA THR A 73 -7.286 13.048 0.910 1.00 0.00 C ATOM 1085 C THR A 73 -5.824 13.056 0.480 1.00 0.00 C ATOM 1086 O THR A 73 -4.999 13.764 1.060 1.00 0.00 O ATOM 1087 CB THR A 73 -7.617 14.390 1.590 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.758 14.240 2.442 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.891 15.468 0.552 1.00 0.00 C ATOM 0 H THR A 73 -7.182 12.016 2.732 1.00 0.00 H new ATOM 0 HA THR A 73 -7.920 12.928 0.031 1.00 0.00 H new ATOM 0 HB THR A 73 -6.756 14.692 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.960 15.097 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.122 16.407 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.010 15.600 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.737 15.170 -0.067 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.507 12.266 -0.540 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.143 12.183 -1.049 1.00 0.00 C ATOM 1099 C LEU A 74 -3.729 13.493 -1.712 1.00 0.00 C ATOM 1100 O LEU A 74 -3.965 13.700 -2.902 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.020 11.032 -2.049 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.725 9.655 -1.453 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.056 8.558 -2.453 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.269 9.561 -1.019 1.00 0.00 C ATOM 0 H LEU A 74 -6.177 11.674 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.478 11.997 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.949 10.969 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.229 11.276 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.355 9.520 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.840 7.585 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.113 8.611 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.453 8.691 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.078 8.574 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.621 9.719 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.064 10.323 -0.267 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.107 14.373 -0.934 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.659 15.663 -1.446 1.00 0.00 C ATOM 1118 C ARG A 75 -1.438 15.496 -2.346 1.00 0.00 C ATOM 1119 O ARG A 75 -0.603 14.621 -2.117 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.328 16.607 -0.289 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.430 16.704 0.753 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.194 17.864 1.707 1.00 0.00 C ATOM 1123 NE ARG A 75 -2.493 17.444 2.917 1.00 0.00 N ATOM 1124 CZ ARG A 75 -2.109 18.282 3.873 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -2.358 19.580 3.761 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -1.475 17.824 4.944 1.00 0.00 N ATOM 0 H ARG A 75 -2.902 14.216 0.053 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.468 16.093 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.412 16.268 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.129 17.601 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.392 16.830 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.482 15.773 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.614 18.636 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.151 18.310 1.979 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.287 16.452 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.846 19.937 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.062 20.221 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.282 16.827 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.181 18.469 5.677 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.342 16.340 -3.368 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.224 16.284 -4.302 1.00 0.00 C ATOM 1142 C GLN A 76 -0.118 14.904 -4.942 1.00 0.00 C ATOM 1143 O GLN A 76 0.802 14.140 -4.646 1.00 0.00 O ATOM 1144 CB GLN A 76 1.083 16.629 -3.586 1.00 0.00 C ATOM 1145 CG GLN A 76 1.128 18.053 -3.054 1.00 0.00 C ATOM 1146 CD GLN A 76 2.544 18.563 -2.872 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.481 18.064 -3.496 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.707 19.564 -2.014 1.00 0.00 N ATOM 0 H GLN A 76 -2.025 17.070 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.403 17.016 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.228 15.936 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.915 16.481 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.594 18.710 -3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.604 18.097 -2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.902 19.947 -1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.637 19.949 -1.851 1.00 0.00 H new ATOM 1157 N LEU A 77 -1.064 14.591 -5.821 1.00 0.00 N ATOM 1158 CA LEU A 77 -1.077 13.302 -6.503 1.00 0.00 C ATOM 1159 C LEU A 77 -0.229 13.348 -7.771 1.00 0.00 C ATOM 1160 O LEU A 77 0.347 14.382 -8.107 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.512 12.901 -6.850 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.286 12.164 -5.757 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.767 12.109 -6.096 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.729 10.762 -5.562 1.00 0.00 C ATOM 0 H LEU A 77 -1.831 15.212 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.651 12.558 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.066 13.802 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.487 12.270 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.169 12.713 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.302 11.581 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.158 13.123 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.905 11.584 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.292 10.252 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.815 10.203 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.680 10.824 -5.272 1.00 0.00 H new ATOM 1176 N ALA A 78 -0.160 12.221 -8.471 1.00 0.00 N ATOM 1177 CA ALA A 78 0.614 12.134 -9.704 1.00 0.00 C ATOM 1178 C ALA A 78 -0.081 11.240 -10.726 1.00 0.00 C ATOM 1179 O ALA A 78 -0.854 10.352 -10.365 1.00 0.00 O ATOM 1180 CB ALA A 78 2.014 11.616 -9.413 1.00 0.00 C ATOM 0 H ALA A 78 -0.630 11.356 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 78 0.690 13.135 -10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.580 11.556 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.517 12.295 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.949 10.625 -8.963 1.00 0.00 H new ATOM 1186 N LEU A 79 0.198 11.482 -12.002 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.401 10.699 -13.078 1.00 0.00 C ATOM 1188 C LEU A 79 -0.163 9.208 -12.864 1.00 0.00 C ATOM 1189 O LEU A 79 -0.943 8.372 -13.319 1.00 0.00 O ATOM 1190 CB LEU A 79 0.171 11.131 -14.429 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.250 12.514 -14.926 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.656 12.974 -16.057 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.703 12.497 -15.378 1.00 0.00 C ATOM 0 H LEU A 79 0.835 12.214 -12.317 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.476 10.880 -13.071 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.259 11.106 -14.365 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.121 10.394 -15.177 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.154 13.220 -14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.341 13.960 -16.398 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.685 13.025 -15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.593 12.267 -16.884 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.987 13.489 -15.729 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.824 11.778 -16.188 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.341 12.212 -14.541 1.00 0.00 H new ATOM 1205 N LYS A 80 0.920 8.881 -12.167 1.00 0.00 N ATOM 1206 CA LYS A 80 1.261 7.491 -11.888 1.00 0.00 C ATOM 1207 C LYS A 80 0.352 6.914 -10.808 1.00 0.00 C ATOM 1208 O LYS A 80 0.047 5.721 -10.813 1.00 0.00 O ATOM 1209 CB LYS A 80 2.724 7.381 -11.451 1.00 0.00 C ATOM 1210 CG LYS A 80 3.009 8.038 -10.112 1.00 0.00 C ATOM 1211 CD LYS A 80 4.364 8.725 -10.105 1.00 0.00 C ATOM 1212 CE LYS A 80 4.818 9.049 -8.690 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.203 9.597 -8.663 1.00 0.00 N ATOM 0 H LYS A 80 1.577 9.561 -11.785 1.00 0.00 H new ATOM 0 HA LYS A 80 1.117 6.917 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.000 6.328 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.357 7.837 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.229 8.767 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.977 7.287 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.101 8.083 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.311 9.643 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.133 9.771 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.772 8.148 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.678 9.297 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.733 9.241 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.166 10.636 -8.699 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.078 7.767 -9.886 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.955 7.342 -8.801 1.00 0.00 C ATOM 1229 C ASP A 81 -2.246 6.741 -9.349 1.00 0.00 C ATOM 1230 O ASP A 81 -2.892 5.927 -8.690 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.277 8.523 -7.884 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.400 8.110 -6.430 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.361 8.056 -5.739 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.534 7.840 -5.983 1.00 0.00 O ATOM 0 H ASP A 81 0.166 8.757 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.435 6.577 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.496 9.277 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.209 8.987 -8.207 1.00 0.00 H new ATOM 1239 N SER A 82 -2.616 7.150 -10.558 1.00 0.00 N ATOM 1240 CA SER A 82 -3.832 6.656 -11.193 1.00 0.00 C ATOM 1241 C SER A 82 -3.870 5.131 -11.182 1.00 0.00 C ATOM 1242 O SER A 82 -3.115 4.474 -11.897 1.00 0.00 O ATOM 1243 CB SER A 82 -3.926 7.169 -12.632 1.00 0.00 C ATOM 1244 OG SER A 82 -2.917 6.596 -13.445 1.00 0.00 O ATOM 0 H SER A 82 -2.091 7.822 -11.118 1.00 0.00 H new ATOM 0 HA SER A 82 -4.685 7.028 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.907 6.931 -13.043 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.832 8.255 -12.641 1.00 0.00 H new ATOM 0 HG SER A 82 -2.084 7.101 -13.337 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.757 4.573 -10.363 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.878 3.130 -10.272 1.00 0.00 C ATOM 1252 C GLY A 83 -6.184 2.697 -9.635 1.00 0.00 C ATOM 1253 O GLY A 83 -7.254 2.858 -10.222 1.00 0.00 O ATOM 0 H GLY A 83 -5.394 5.095 -9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.803 2.699 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.045 2.734 -9.691 1.00 0.00 H new ATOM 1257 N THR A 84 -6.097 2.143 -8.429 1.00 0.00 N ATOM 1258 CA THR A 84 -7.279 1.682 -7.713 1.00 0.00 C ATOM 1259 C THR A 84 -7.004 1.559 -6.219 1.00 0.00 C ATOM 1260 O THR A 84 -6.191 0.736 -5.794 1.00 0.00 O ATOM 1261 CB THR A 84 -7.766 0.322 -8.248 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.917 0.381 -9.671 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.089 -0.069 -7.608 1.00 0.00 C ATOM 0 H THR A 84 -5.219 2.003 -7.928 1.00 0.00 H new ATOM 0 HA THR A 84 -8.057 2.427 -7.876 1.00 0.00 H new ATOM 0 HB THR A 84 -7.021 -0.432 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.040 1.313 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.413 -1.033 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.963 -0.142 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.841 0.687 -7.836 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.684 2.379 -5.426 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.513 2.360 -3.979 1.00 0.00 C ATOM 1273 C ILE A 85 -7.965 1.028 -3.390 1.00 0.00 C ATOM 1274 O ILE A 85 -9.119 0.627 -3.545 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.299 3.499 -3.304 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.847 4.854 -3.851 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.118 3.445 -1.794 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.407 5.186 -3.529 1.00 0.00 C ATOM 0 H ILE A 85 -8.359 3.066 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.449 2.499 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.358 3.372 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.980 4.863 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.491 5.634 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.680 4.256 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.484 2.490 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.061 3.550 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.156 6.160 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.272 5.210 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.754 4.427 -3.959 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.048 0.346 -2.712 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.351 -0.942 -2.100 1.00 0.00 C ATOM 1292 C TYR A 86 -7.383 -0.828 -0.579 1.00 0.00 C ATOM 1293 O TYR A 86 -6.394 -1.109 0.097 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.317 -1.987 -2.523 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.528 -2.516 -3.923 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.601 -3.348 -4.219 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.654 -2.183 -4.951 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.797 -3.834 -5.497 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.843 -2.663 -6.233 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.916 -3.488 -6.501 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.107 -3.970 -7.776 1.00 0.00 O ATOM 0 H TYR A 86 -6.089 0.664 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.337 -1.256 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.321 -1.549 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.347 -2.820 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.294 -3.619 -3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.813 -1.538 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.635 -4.481 -5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.155 -2.394 -7.021 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.399 -3.631 -8.363 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.529 -0.414 -0.047 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.692 -0.262 1.394 1.00 0.00 C ATOM 1313 C PHE A 87 -8.619 -1.615 2.095 1.00 0.00 C ATOM 1314 O PHE A 87 -8.998 -2.640 1.529 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.026 0.418 1.708 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.321 0.507 3.178 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.690 1.454 3.969 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.229 -0.356 3.770 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.960 1.539 5.322 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.503 -0.275 5.122 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.867 0.673 5.899 1.00 0.00 C ATOM 0 H PHE A 87 -9.358 -0.178 -0.592 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.878 0.362 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.021 1.423 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.829 -0.131 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.979 2.134 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.728 -1.101 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.462 2.282 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.214 -0.953 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.079 0.737 6.956 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.130 -1.609 3.331 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.007 -2.836 4.109 1.00 0.00 C ATOM 1333 C GLU A 88 -8.586 -2.653 5.509 1.00 0.00 C ATOM 1334 O GLU A 88 -8.349 -1.637 6.162 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.540 -3.261 4.203 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.143 -4.309 3.177 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.660 -4.623 3.208 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.101 -4.740 4.319 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.058 -4.754 2.121 1.00 0.00 O ATOM 0 H GLU A 88 -7.813 -0.769 3.815 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.572 -3.617 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.907 -2.383 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.347 -3.651 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.708 -5.223 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.416 -3.959 2.181 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.346 -3.644 5.963 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.958 -3.594 7.285 1.00 0.00 C ATOM 1348 C ALA A 89 -10.465 -4.968 7.708 1.00 0.00 C ATOM 1349 O ALA A 89 -11.569 -5.372 7.345 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.093 -2.581 7.303 1.00 0.00 C ATOM 0 H ALA A 89 -9.553 -4.492 5.434 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.196 -3.282 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.541 -2.554 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.704 -1.594 7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.849 -2.868 6.572 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.651 -5.684 8.478 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.035 -7.006 8.937 1.00 0.00 C ATOM 1358 C GLY A 90 -9.961 -8.046 7.836 1.00 0.00 C ATOM 1359 O GLY A 90 -8.878 -8.366 7.347 1.00 0.00 O ATOM 0 H GLY A 90 -8.732 -5.372 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.385 -7.305 9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.051 -6.970 9.331 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.116 -8.575 7.447 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.178 -9.586 6.397 1.00 0.00 C ATOM 1365 C ASP A 91 -11.881 -9.040 5.158 1.00 0.00 C ATOM 1366 O ASP A 91 -12.389 -9.801 4.336 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.904 -10.833 6.903 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.483 -11.219 8.307 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -12.061 -10.675 9.270 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -10.574 -12.065 8.442 1.00 0.00 O ATOM 0 H ASP A 91 -12.021 -8.321 7.842 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.157 -9.855 6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.979 -10.656 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.707 -11.664 6.226 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.906 -7.717 5.033 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.548 -7.069 3.895 1.00 0.00 C ATOM 1377 C GLN A 92 -11.553 -6.207 3.126 1.00 0.00 C ATOM 1378 O GLN A 92 -10.496 -5.849 3.646 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.726 -6.214 4.366 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.821 -7.012 5.054 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.556 -7.936 4.102 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.336 -7.487 3.262 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.309 -9.234 4.228 1.00 0.00 N ATOM 0 H GLN A 92 -11.489 -7.073 5.705 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.917 -7.847 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.359 -5.451 5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.152 -5.693 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.384 -7.601 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.534 -6.325 5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.655 -9.562 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.773 -9.903 3.614 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.898 -5.876 1.886 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.034 -5.057 1.045 1.00 0.00 C ATOM 1394 C ARG A 93 -11.847 -4.321 -0.015 1.00 0.00 C ATOM 1395 O ARG A 93 -12.453 -4.941 -0.889 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.968 -5.925 0.374 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.744 -5.145 -0.078 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.812 -6.007 -0.916 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.924 -6.817 -0.087 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.231 -7.853 -0.547 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -6.324 -8.203 -1.823 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.444 -8.542 0.269 1.00 0.00 N ATOM 0 H ARG A 93 -12.770 -6.163 1.442 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.544 -4.319 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.656 -6.704 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.409 -6.425 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.058 -4.277 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.208 -4.769 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.402 -6.659 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.217 -5.369 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.831 -6.574 0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.929 -7.676 -2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.791 -8.999 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.370 -8.277 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.913 -9.337 -0.086 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.856 -2.994 0.068 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.593 -2.174 -0.885 1.00 0.00 C ATOM 1418 C ALA A 94 -11.780 -1.943 -2.154 1.00 0.00 C ATOM 1419 O ALA A 94 -10.590 -2.255 -2.207 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.975 -0.844 -0.251 1.00 0.00 C ATOM 0 H ALA A 94 -11.361 -2.465 0.786 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.503 -2.708 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.525 -0.241 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.601 -1.024 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.073 -0.313 0.052 1.00 0.00 H new ATOM 1426 N SER A 95 -12.430 -1.396 -3.176 1.00 0.00 N ATOM 1427 CA SER A 95 -11.769 -1.127 -4.448 1.00 0.00 C ATOM 1428 C SER A 95 -12.473 -0.003 -5.200 1.00 0.00 C ATOM 1429 O SER A 95 -13.619 -0.149 -5.626 1.00 0.00 O ATOM 1430 CB SER A 95 -11.739 -2.392 -5.308 1.00 0.00 C ATOM 1431 OG SER A 95 -13.044 -2.911 -5.497 1.00 0.00 O ATOM 0 H SER A 95 -13.414 -1.130 -3.148 1.00 0.00 H new ATOM 0 HA SER A 95 -10.746 -0.814 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.290 -2.167 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.110 -3.144 -4.832 1.00 0.00 H new ATOM 0 HG SER A 95 -13.676 -2.172 -5.618 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.779 1.119 -5.360 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.337 2.269 -6.063 1.00 0.00 C ATOM 1439 C ALA A 96 -11.445 2.685 -7.227 1.00 0.00 C ATOM 1440 O ALA A 96 -10.220 2.684 -7.115 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.530 3.432 -5.101 1.00 0.00 C ATOM 0 H ALA A 96 -10.830 1.257 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.308 1.982 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.947 4.284 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.213 3.136 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.569 3.711 -4.670 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.069 3.040 -8.346 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.331 3.460 -9.531 1.00 0.00 C ATOM 1449 C ALA A 97 -10.666 4.815 -9.313 1.00 0.00 C ATOM 1450 O ALA A 97 -11.312 5.859 -9.418 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.257 3.513 -10.738 1.00 0.00 C ATOM 0 H ALA A 97 -13.083 3.045 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.547 2.726 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.693 3.828 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.681 2.525 -10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.061 4.224 -10.549 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.374 4.792 -9.008 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.621 6.019 -8.774 1.00 0.00 C ATOM 1459 C LEU A 98 -8.073 6.580 -10.082 1.00 0.00 C ATOM 1460 O LEU A 98 -7.001 6.182 -10.538 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.473 5.758 -7.797 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.378 6.825 -7.747 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.989 8.209 -7.596 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.408 6.540 -6.610 1.00 0.00 C ATOM 0 H LEU A 98 -8.825 3.937 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.299 6.754 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.892 5.649 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.012 4.805 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.824 6.796 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.195 8.955 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.643 8.413 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.568 8.253 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.636 7.309 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.947 6.542 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.945 5.565 -6.762 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.814 7.507 -10.679 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.402 8.123 -11.935 1.00 0.00 C ATOM 1478 C ARG A 99 -7.694 9.451 -11.682 1.00 0.00 C ATOM 1479 O ARG A 99 -8.084 10.217 -10.801 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.614 8.344 -12.842 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.286 7.054 -13.284 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.343 7.314 -14.346 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.307 6.220 -14.438 1.00 0.00 N ATOM 1484 CZ ARG A 99 -13.335 6.075 -13.609 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.532 6.950 -12.633 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -14.169 5.053 -13.757 1.00 0.00 N ATOM 0 H ARG A 99 -9.703 7.848 -10.313 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.705 7.447 -12.430 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.342 8.962 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.300 8.901 -13.725 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.536 6.367 -13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.745 6.568 -12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.868 8.241 -14.116 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.859 7.453 -15.313 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.184 5.530 -15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.894 7.737 -12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.322 6.836 -11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.021 4.378 -14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.958 4.942 -13.120 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.649 9.716 -12.460 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.887 10.951 -12.321 1.00 0.00 C ATOM 1502 C VAL A 100 -5.337 11.412 -13.667 1.00 0.00 C ATOM 1503 O VAL A 100 -4.448 10.780 -14.237 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.718 10.781 -11.333 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.895 12.058 -11.253 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.236 10.384 -9.959 1.00 0.00 C ATOM 0 H VAL A 100 -6.311 9.092 -13.193 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.573 11.704 -11.934 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.071 9.983 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.074 11.918 -10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.493 12.294 -12.238 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.528 12.878 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.397 10.268 -9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.906 11.158 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.777 9.441 -10.033 1.00 0.00 H new ATOM 1516 N THR A 101 -5.873 12.519 -14.171 1.00 0.00 N ATOM 1517 CA THR A 101 -5.438 13.066 -15.450 1.00 0.00 C ATOM 1518 C THR A 101 -4.335 14.100 -15.259 1.00 0.00 C ATOM 1519 O THR A 101 -3.845 14.300 -14.148 1.00 0.00 O ATOM 1520 CB THR A 101 -6.609 13.715 -16.211 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.977 14.949 -15.584 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.810 12.784 -16.253 1.00 0.00 C ATOM 0 H THR A 101 -6.610 13.055 -13.712 1.00 0.00 H new ATOM 0 HA THR A 101 -5.052 12.232 -16.036 1.00 0.00 H new ATOM 0 HB THR A 101 -6.285 13.910 -17.233 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.721 15.356 -16.075 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.624 13.265 -16.796 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.535 11.858 -16.757 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.133 12.561 -15.236 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.949 14.755 -16.349 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.902 15.770 -16.300 1.00 0.00 C ATOM 1532 C GLU A 102 -3.385 17.014 -15.559 1.00 0.00 C ATOM 1533 O GLU A 102 -4.587 17.225 -15.393 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.458 16.146 -17.715 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.292 15.317 -18.227 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.317 15.143 -19.733 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -2.342 14.658 -20.257 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.312 15.491 -20.388 1.00 0.00 O ATOM 0 H GLU A 102 -4.345 14.602 -17.276 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.052 15.353 -15.760 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.302 16.029 -18.395 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.179 17.200 -17.731 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.356 15.794 -17.936 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.312 14.336 -17.751 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.439 17.835 -15.115 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.765 19.059 -14.393 1.00 0.00 C ATOM 1547 C LYS A 103 -2.048 20.258 -15.003 1.00 0.00 C ATOM 1548 O LYS A 103 -1.053 20.121 -15.715 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.385 18.921 -12.917 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.989 19.427 -12.598 1.00 0.00 C ATOM 1551 CD LYS A 103 0.076 18.612 -13.312 1.00 0.00 C ATOM 1552 CE LYS A 103 1.373 18.573 -12.519 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.480 17.950 -13.296 1.00 0.00 N ATOM 0 H LYS A 103 -1.440 17.675 -15.243 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.840 19.222 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.108 19.468 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.457 17.872 -12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.905 20.474 -12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.822 19.382 -11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.286 17.596 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.263 19.040 -14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.655 19.587 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.218 18.014 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.241 17.664 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.122 17.114 -13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.851 18.637 -13.983 1.00 0.00 H new ATOM 1567 N PRO A 104 -2.562 21.464 -14.718 1.00 0.00 N ATOM 1568 CA PRO A 104 -1.985 22.711 -15.228 1.00 0.00 C ATOM 1569 C PRO A 104 -0.635 23.028 -14.592 1.00 0.00 C ATOM 1570 O PRO A 104 0.289 23.479 -15.268 1.00 0.00 O ATOM 1571 CB PRO A 104 -3.021 23.768 -14.837 1.00 0.00 C ATOM 1572 CG PRO A 104 -3.724 23.190 -13.658 1.00 0.00 C ATOM 1573 CD PRO A 104 -3.746 21.703 -13.876 1.00 0.00 C ATOM 0 HA PRO A 104 -1.790 22.661 -16.299 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.545 24.716 -14.588 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.715 23.964 -15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.205 23.441 -12.733 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.736 23.587 -13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.686 21.158 -12.934 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.663 21.383 -14.371 1.00 0.00 H new ATOM 1581 N SER A 105 -0.529 22.787 -13.290 1.00 0.00 N ATOM 1582 CA SER A 105 0.707 23.050 -12.562 1.00 0.00 C ATOM 1583 C SER A 105 1.771 22.012 -12.906 1.00 0.00 C ATOM 1584 O SER A 105 1.612 21.229 -13.843 1.00 0.00 O ATOM 1585 CB SER A 105 0.446 23.050 -11.054 1.00 0.00 C ATOM 1586 OG SER A 105 1.485 23.715 -10.357 1.00 0.00 O ATOM 0 H SER A 105 -1.284 22.410 -12.717 1.00 0.00 H new ATOM 0 HA SER A 105 1.073 24.033 -12.860 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.506 23.538 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.362 22.024 -10.696 1.00 0.00 H new ATOM 0 HG SER A 105 1.294 23.703 -9.396 1.00 0.00 H new ATOM 1592 N VAL A 106 2.857 22.011 -12.140 1.00 0.00 N ATOM 1593 CA VAL A 106 3.948 21.069 -12.361 1.00 0.00 C ATOM 1594 C VAL A 106 4.746 20.843 -11.082 1.00 0.00 C ATOM 1595 O VAL A 106 4.535 21.521 -10.077 1.00 0.00 O ATOM 1596 CB VAL A 106 4.900 21.563 -13.467 1.00 0.00 C ATOM 1597 CG1 VAL A 106 4.333 21.243 -14.842 1.00 0.00 C ATOM 1598 CG2 VAL A 106 5.157 23.055 -13.321 1.00 0.00 C ATOM 0 H VAL A 106 3.005 22.652 -11.361 1.00 0.00 H new ATOM 0 HA VAL A 106 3.496 20.128 -12.675 1.00 0.00 H new ATOM 0 HB VAL A 106 5.852 21.042 -13.363 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.019 21.599 -15.610 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.205 20.165 -14.941 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.368 21.735 -14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.831 23.387 -14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.214 23.596 -13.398 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.610 23.253 -12.350 1.00 0.00 H new ATOM 1608 N PHE A 107 5.666 19.884 -11.127 1.00 0.00 N ATOM 1609 CA PHE A 107 6.497 19.567 -9.971 1.00 0.00 C ATOM 1610 C PHE A 107 5.636 19.307 -8.738 1.00 0.00 C ATOM 1611 O PHE A 107 5.449 20.190 -7.901 1.00 0.00 O ATOM 1612 CB PHE A 107 7.476 20.708 -9.692 1.00 0.00 C ATOM 1613 CG PHE A 107 8.719 20.269 -8.973 1.00 0.00 C ATOM 1614 CD1 PHE A 107 9.514 19.259 -9.489 1.00 0.00 C ATOM 1615 CD2 PHE A 107 9.093 20.867 -7.780 1.00 0.00 C ATOM 1616 CE1 PHE A 107 10.658 18.852 -8.829 1.00 0.00 C ATOM 1617 CE2 PHE A 107 10.236 20.465 -7.115 1.00 0.00 C ATOM 1618 CZ PHE A 107 11.020 19.457 -7.641 1.00 0.00 C ATOM 0 H PHE A 107 5.855 19.313 -11.951 1.00 0.00 H new ATOM 0 HA PHE A 107 7.060 18.662 -10.197 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.758 21.174 -10.636 1.00 0.00 H new ATOM 0 HB3 PHE A 107 6.973 21.471 -9.098 1.00 0.00 H new ATOM 0 HD1 PHE A 107 9.237 18.784 -10.418 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.484 21.657 -7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 107 11.268 18.062 -9.241 1.00 0.00 H new ATOM 0 HE2 PHE A 107 10.516 20.938 -6.185 1.00 0.00 H new ATOM 0 HZ PHE A 107 11.915 19.142 -7.124 1.00 0.00 H new ATOM 1628 N SER A 108 5.116 18.088 -8.633 1.00 0.00 N ATOM 1629 CA SER A 108 4.272 17.712 -7.505 1.00 0.00 C ATOM 1630 C SER A 108 4.810 16.461 -6.817 1.00 0.00 C ATOM 1631 O SER A 108 5.394 16.536 -5.736 1.00 0.00 O ATOM 1632 CB SER A 108 2.835 17.472 -7.973 1.00 0.00 C ATOM 1633 OG SER A 108 2.143 18.697 -8.144 1.00 0.00 O ATOM 0 H SER A 108 5.264 17.344 -9.315 1.00 0.00 H new ATOM 0 HA SER A 108 4.281 18.533 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.843 16.921 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.311 16.853 -7.245 1.00 0.00 H new ATOM 0 HG SER A 108 1.228 18.517 -8.445 1.00 0.00 H new ATOM 1639 N ARG A 109 4.610 15.311 -7.453 1.00 0.00 N ATOM 1640 CA ARG A 109 5.073 14.043 -6.903 1.00 0.00 C ATOM 1641 C ARG A 109 6.092 13.388 -7.831 1.00 0.00 C ATOM 1642 O ARG A 109 5.734 12.588 -8.695 1.00 0.00 O ATOM 1643 CB ARG A 109 3.891 13.098 -6.677 1.00 0.00 C ATOM 1644 CG ARG A 109 4.263 11.825 -5.935 1.00 0.00 C ATOM 1645 CD ARG A 109 3.140 11.367 -5.017 1.00 0.00 C ATOM 1646 NE ARG A 109 2.807 12.375 -4.015 1.00 0.00 N ATOM 1647 CZ ARG A 109 2.039 12.135 -2.958 1.00 0.00 C ATOM 1648 NH1 ARG A 109 1.527 10.927 -2.767 1.00 0.00 N ATOM 1649 NH2 ARG A 109 1.781 13.104 -2.090 1.00 0.00 N ATOM 0 H ARG A 109 4.130 15.232 -8.350 1.00 0.00 H new ATOM 0 HA ARG A 109 5.555 14.245 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 109 3.119 13.624 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 109 3.459 12.833 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 109 4.491 11.037 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.167 11.995 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 109 2.255 11.141 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 109 3.433 10.443 -4.518 1.00 0.00 H new ATOM 0 HE ARG A 109 3.185 13.315 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.723 10.179 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.938 10.746 -1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.172 14.035 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.191 12.918 -1.279 1.00 0.00 H new ATOM 1663 N SER A 110 7.362 13.733 -7.646 1.00 0.00 N ATOM 1664 CA SER A 110 8.432 13.182 -8.469 1.00 0.00 C ATOM 1665 C SER A 110 9.162 12.063 -7.733 1.00 0.00 C ATOM 1666 O SER A 110 9.344 10.969 -8.266 1.00 0.00 O ATOM 1667 CB SER A 110 9.422 14.282 -8.859 1.00 0.00 C ATOM 1668 OG SER A 110 9.868 14.994 -7.719 1.00 0.00 O ATOM 0 H SER A 110 7.675 14.392 -6.933 1.00 0.00 H new ATOM 0 HA SER A 110 7.985 12.768 -9.373 1.00 0.00 H new ATOM 0 HB2 SER A 110 10.276 13.841 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.948 14.970 -9.559 1.00 0.00 H new ATOM 0 HG SER A 110 10.501 15.690 -7.995 1.00 0.00 H new ATOM 1674 N GLY A 111 9.579 12.346 -6.502 1.00 0.00 N ATOM 1675 CA GLY A 111 10.284 11.354 -5.712 1.00 0.00 C ATOM 1676 C GLY A 111 10.234 11.653 -4.227 1.00 0.00 C ATOM 1677 O GLY A 111 11.227 12.049 -3.617 1.00 0.00 O ATOM 0 H GLY A 111 9.441 13.244 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.850 10.371 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.324 11.309 -6.035 1.00 0.00 H new ATOM 1681 N PRO A 112 9.052 11.464 -3.621 1.00 0.00 N ATOM 1682 CA PRO A 112 8.847 11.712 -2.191 1.00 0.00 C ATOM 1683 C PRO A 112 9.568 10.692 -1.317 1.00 0.00 C ATOM 1684 O PRO A 112 10.215 11.050 -0.333 1.00 0.00 O ATOM 1685 CB PRO A 112 7.331 11.583 -2.023 1.00 0.00 C ATOM 1686 CG PRO A 112 6.899 10.696 -3.139 1.00 0.00 C ATOM 1687 CD PRO A 112 7.825 10.994 -4.286 1.00 0.00 C ATOM 0 HA PRO A 112 9.243 12.680 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.075 11.153 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 112 6.843 12.556 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 112 6.961 9.647 -2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 112 5.862 10.891 -3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.011 10.108 -4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.411 11.754 -4.949 1.00 0.00 H new ATOM 1695 N SER A 113 9.453 9.419 -1.683 1.00 0.00 N ATOM 1696 CA SER A 113 10.092 8.346 -0.929 1.00 0.00 C ATOM 1697 C SER A 113 11.068 7.571 -1.809 1.00 0.00 C ATOM 1698 O SER A 113 10.667 6.706 -2.587 1.00 0.00 O ATOM 1699 CB SER A 113 9.037 7.396 -0.359 1.00 0.00 C ATOM 1700 OG SER A 113 8.008 7.152 -1.302 1.00 0.00 O ATOM 0 H SER A 113 8.924 9.106 -2.497 1.00 0.00 H new ATOM 0 HA SER A 113 10.649 8.795 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.506 6.454 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.610 7.824 0.548 1.00 0.00 H new ATOM 0 HG SER A 113 8.405 6.910 -2.165 1.00 0.00 H new ATOM 1706 N SER A 114 12.352 7.889 -1.679 1.00 0.00 N ATOM 1707 CA SER A 114 13.387 7.226 -2.465 1.00 0.00 C ATOM 1708 C SER A 114 13.522 5.761 -2.060 1.00 0.00 C ATOM 1709 O SER A 114 14.003 5.448 -0.972 1.00 0.00 O ATOM 1710 CB SER A 114 14.728 7.941 -2.288 1.00 0.00 C ATOM 1711 OG SER A 114 15.246 7.738 -0.985 1.00 0.00 O ATOM 0 H SER A 114 12.701 8.601 -1.037 1.00 0.00 H new ATOM 0 HA SER A 114 13.095 7.270 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.440 7.574 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 114 14.602 9.008 -2.470 1.00 0.00 H new ATOM 0 HG SER A 114 14.749 7.018 -0.544 1.00 0.00 H new ATOM 1717 N GLY A 115 13.092 4.867 -2.945 1.00 0.00 N ATOM 1718 CA GLY A 115 13.172 3.446 -2.663 1.00 0.00 C ATOM 1719 C GLY A 115 12.057 2.660 -3.323 1.00 0.00 C ATOM 1720 O GLY A 115 11.007 3.213 -3.648 1.00 0.00 O ATOM 0 H GLY A 115 12.690 5.102 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 115 14.134 3.064 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.133 3.290 -1.585 1.00 0.00 H new TER 1724 GLY A 115