USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= -1.54 K(o=-16,f=-19!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12! C(o=-16!,f=-16!) USER MOD Set 1.3: A 61 TYR OH : rot -4:sc= -2.53! USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 44 ASN : amide:sc= -1.39 K(o=-1.4,f=-6.5!) USER MOD Set 3.1: A 28 ASN : amide:sc= 0 K(o=-0.023,f=0.95) USER MOD Set 3.2: A 32 ASN : amide:sc= -0.0228 K(o=-0.023,f=0.95) USER MOD Set 4.1: A 8 THR OG1 : rot -49:sc= 1.26 USER MOD Set 4.2: A 11 SER OG : rot 178:sc= -1.12 USER MOD Single : A 1 ALA N :NH3+ -169:sc= -0.0523 (180deg=-0.224) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.78) USER MOD Single : A 20 SER OG : rot -64:sc= 0.0833 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.3) USER MOD Single : A 26 THR OG1 : rot -79:sc= 0.607 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 37 MET CE :methyl -142:sc= -5.83! (180deg=-8.39!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -12:sc= 0.252 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 55:sc= 0.508 USER MOD Single : A 81 GLN : amide:sc= -0.0772 K(o=-0.077,f=-2!) USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00102) USER MOD Single : A 86 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.66) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.859 17.487 -0.298 1.00 0.00 N ATOM 2 CA ALA A 1 -12.222 16.973 0.019 1.00 0.00 C ATOM 3 C ALA A 1 -12.227 16.386 1.432 1.00 0.00 C ATOM 4 O ALA A 1 -13.257 16.283 2.068 1.00 0.00 O ATOM 5 CB ALA A 1 -12.603 15.885 -0.986 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.895 18.049 -1.173 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.523 18.085 0.484 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.207 16.687 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.942 17.789 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.600 15.509 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.597 16.302 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.884 15.068 -0.928 1.00 0.00 H new ATOM 13 N GLU A 2 -11.084 16.001 1.928 1.00 0.00 N ATOM 14 CA GLU A 2 -11.023 15.422 3.299 1.00 0.00 C ATOM 15 C GLU A 2 -9.624 15.639 3.880 1.00 0.00 C ATOM 16 O GLU A 2 -8.643 15.669 3.164 1.00 0.00 O ATOM 17 CB GLU A 2 -11.320 13.922 3.233 1.00 0.00 C ATOM 18 CG GLU A 2 -10.724 13.341 1.949 1.00 0.00 C ATOM 19 CD GLU A 2 -9.198 13.373 2.035 1.00 0.00 C ATOM 20 OE1 GLU A 2 -8.674 12.988 3.068 1.00 0.00 O ATOM 21 OE2 GLU A 2 -8.578 13.783 1.068 1.00 0.00 O ATOM 0 H GLU A 2 -10.189 16.062 1.443 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.762 15.911 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.899 13.418 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.396 13.752 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.069 12.317 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.062 13.915 1.086 1.00 0.00 H new ATOM 28 N VAL A 3 -9.524 15.792 5.171 1.00 0.00 N ATOM 29 CA VAL A 3 -8.188 16.008 5.794 1.00 0.00 C ATOM 30 C VAL A 3 -7.871 14.853 6.743 1.00 0.00 C ATOM 31 O VAL A 3 -6.753 14.381 6.811 1.00 0.00 O ATOM 32 CB VAL A 3 -8.199 17.322 6.576 1.00 0.00 C ATOM 33 CG1 VAL A 3 -6.776 17.667 7.016 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.741 18.440 5.683 1.00 0.00 C ATOM 0 H VAL A 3 -10.309 15.777 5.822 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.428 16.053 5.014 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.835 17.216 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.785 18.604 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.388 16.870 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.139 17.773 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.750 19.378 6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.104 18.545 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.756 18.195 5.369 1.00 0.00 H new ATOM 44 N ARG A 4 -8.845 14.392 7.479 1.00 0.00 N ATOM 45 CA ARG A 4 -8.597 13.268 8.424 1.00 0.00 C ATOM 46 C ARG A 4 -8.250 12.005 7.629 1.00 0.00 C ATOM 47 O ARG A 4 -8.675 11.847 6.502 1.00 0.00 O ATOM 48 CB ARG A 4 -9.852 13.016 9.260 1.00 0.00 C ATOM 49 CG ARG A 4 -11.019 12.663 8.337 1.00 0.00 C ATOM 50 CD ARG A 4 -12.329 13.148 8.960 1.00 0.00 C ATOM 51 NE ARG A 4 -13.288 12.011 9.045 1.00 0.00 N ATOM 52 CZ ARG A 4 -13.305 11.249 10.104 1.00 0.00 C ATOM 53 NH1 ARG A 4 -13.906 11.653 11.190 1.00 0.00 N ATOM 54 NH2 ARG A 4 -12.722 10.082 10.077 1.00 0.00 N ATOM 0 H ARG A 4 -9.802 14.746 7.466 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.768 13.523 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.675 12.204 9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.094 13.902 9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.876 13.125 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.057 11.585 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.143 13.556 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.754 13.952 8.360 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.932 11.828 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.363 12.565 11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.919 11.057 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.253 9.766 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.735 9.486 10.905 1.00 0.00 H new ATOM 68 N PRO A 5 -7.483 11.143 8.246 1.00 0.00 N ATOM 69 CA PRO A 5 -7.053 9.877 7.626 1.00 0.00 C ATOM 70 C PRO A 5 -8.187 8.841 7.680 1.00 0.00 C ATOM 71 O PRO A 5 -8.614 8.454 8.749 1.00 0.00 O ATOM 72 CB PRO A 5 -5.873 9.437 8.496 1.00 0.00 C ATOM 73 CG PRO A 5 -6.047 10.144 9.861 1.00 0.00 C ATOM 74 CD PRO A 5 -6.973 11.349 9.618 1.00 0.00 C ATOM 0 HA PRO A 5 -6.787 9.982 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.864 8.354 8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.926 9.714 8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.479 9.465 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.084 10.469 10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.785 11.380 10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.432 12.291 9.704 1.00 0.00 H new ATOM 82 N PRO A 6 -8.636 8.419 6.523 1.00 0.00 N ATOM 83 CA PRO A 6 -9.717 7.423 6.411 1.00 0.00 C ATOM 84 C PRO A 6 -9.165 6.018 6.668 1.00 0.00 C ATOM 85 O PRO A 6 -8.140 5.851 7.298 1.00 0.00 O ATOM 86 CB PRO A 6 -10.195 7.574 4.964 1.00 0.00 C ATOM 87 CG PRO A 6 -9.025 8.215 4.182 1.00 0.00 C ATOM 88 CD PRO A 6 -8.115 8.892 5.224 1.00 0.00 C ATOM 0 HA PRO A 6 -10.521 7.570 7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.461 6.606 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.086 8.200 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.475 7.460 3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.395 8.943 3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.072 8.608 5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.162 9.978 5.148 1.00 0.00 H new ATOM 96 N PHE A 7 -9.836 5.004 6.193 1.00 0.00 N ATOM 97 CA PHE A 7 -9.341 3.617 6.424 1.00 0.00 C ATOM 98 C PHE A 7 -9.395 2.822 5.117 1.00 0.00 C ATOM 99 O PHE A 7 -9.121 1.639 5.089 1.00 0.00 O ATOM 100 CB PHE A 7 -10.221 2.935 7.474 1.00 0.00 C ATOM 101 CG PHE A 7 -10.556 3.924 8.565 1.00 0.00 C ATOM 102 CD1 PHE A 7 -9.564 4.347 9.456 1.00 0.00 C ATOM 103 CD2 PHE A 7 -11.861 4.419 8.684 1.00 0.00 C ATOM 104 CE1 PHE A 7 -9.875 5.265 10.466 1.00 0.00 C ATOM 105 CE2 PHE A 7 -12.171 5.338 9.693 1.00 0.00 C ATOM 106 CZ PHE A 7 -11.179 5.761 10.584 1.00 0.00 C ATOM 0 H PHE A 7 -10.701 5.075 5.658 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.310 3.655 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -11.135 2.562 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.703 2.074 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.558 3.965 9.365 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.628 4.092 7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.109 5.591 11.154 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.177 5.721 9.784 1.00 0.00 H new ATOM 0 HZ PHE A 7 -11.419 6.470 11.363 1.00 0.00 H new ATOM 116 N THR A 8 -9.745 3.460 4.033 1.00 0.00 N ATOM 117 CA THR A 8 -9.814 2.735 2.732 1.00 0.00 C ATOM 118 C THR A 8 -8.489 2.891 1.983 1.00 0.00 C ATOM 119 O THR A 8 -8.450 2.895 0.768 1.00 0.00 O ATOM 120 CB THR A 8 -10.948 3.314 1.883 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.940 2.696 0.604 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.750 4.823 1.725 1.00 0.00 C ATOM 0 H THR A 8 -9.986 4.450 3.992 1.00 0.00 H new ATOM 0 HA THR A 8 -10.001 1.678 2.920 1.00 0.00 H new ATOM 0 HB THR A 8 -11.903 3.126 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.030 2.708 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.558 5.235 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.755 5.295 2.707 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.796 5.015 1.235 1.00 0.00 H new ATOM 130 N TYR A 9 -7.403 3.017 2.694 1.00 0.00 N ATOM 131 CA TYR A 9 -6.083 3.170 2.011 1.00 0.00 C ATOM 132 C TYR A 9 -5.675 1.835 1.383 1.00 0.00 C ATOM 133 O TYR A 9 -4.814 1.779 0.528 1.00 0.00 O ATOM 134 CB TYR A 9 -5.012 3.604 3.018 1.00 0.00 C ATOM 135 CG TYR A 9 -4.872 5.108 2.990 1.00 0.00 C ATOM 136 CD1 TYR A 9 -6.004 5.920 3.119 1.00 0.00 C ATOM 137 CD2 TYR A 9 -3.608 5.689 2.833 1.00 0.00 C ATOM 138 CE1 TYR A 9 -5.873 7.314 3.091 1.00 0.00 C ATOM 139 CE2 TYR A 9 -3.476 7.082 2.805 1.00 0.00 C ATOM 140 CZ TYR A 9 -4.608 7.894 2.934 1.00 0.00 C ATOM 141 OH TYR A 9 -4.480 9.268 2.905 1.00 0.00 O ATOM 0 H TYR A 9 -7.370 3.021 3.713 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.173 3.931 1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.284 3.272 4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.058 3.135 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.979 5.472 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.734 5.062 2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.747 7.941 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.501 7.530 2.684 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.536 9.506 2.791 1.00 0.00 H new ATOM 151 N ALA A 10 -6.283 0.760 1.803 1.00 0.00 N ATOM 152 CA ALA A 10 -5.928 -0.571 1.232 1.00 0.00 C ATOM 153 C ALA A 10 -6.115 -0.547 -0.286 1.00 0.00 C ATOM 154 O ALA A 10 -5.553 -1.350 -1.003 1.00 0.00 O ATOM 155 CB ALA A 10 -6.834 -1.643 1.838 1.00 0.00 C ATOM 0 H ALA A 10 -7.011 0.745 2.517 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.887 -0.797 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.575 -2.616 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.700 -1.664 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.874 -1.414 1.606 1.00 0.00 H new ATOM 161 N SER A 11 -6.904 0.366 -0.783 1.00 0.00 N ATOM 162 CA SER A 11 -7.128 0.436 -2.255 1.00 0.00 C ATOM 163 C SER A 11 -6.006 1.247 -2.908 1.00 0.00 C ATOM 164 O SER A 11 -5.435 0.846 -3.902 1.00 0.00 O ATOM 165 CB SER A 11 -8.473 1.108 -2.532 1.00 0.00 C ATOM 166 OG SER A 11 -8.783 1.994 -1.464 1.00 0.00 O ATOM 0 H SER A 11 -7.403 1.066 -0.234 1.00 0.00 H new ATOM 0 HA SER A 11 -7.132 -0.572 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.432 1.655 -3.474 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.255 0.355 -2.634 1.00 0.00 H new ATOM 0 HG SER A 11 -9.629 2.451 -1.653 1.00 0.00 H new ATOM 172 N LEU A 12 -5.688 2.387 -2.357 1.00 0.00 N ATOM 173 CA LEU A 12 -4.603 3.222 -2.948 1.00 0.00 C ATOM 174 C LEU A 12 -3.315 2.400 -3.046 1.00 0.00 C ATOM 175 O LEU A 12 -2.682 2.341 -4.080 1.00 0.00 O ATOM 176 CB LEU A 12 -4.362 4.444 -2.058 1.00 0.00 C ATOM 177 CG LEU A 12 -5.397 5.523 -2.381 1.00 0.00 C ATOM 178 CD1 LEU A 12 -6.387 5.648 -1.220 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.687 6.863 -2.587 1.00 0.00 C ATOM 0 H LEU A 12 -6.132 2.776 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.899 3.548 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.431 4.161 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.356 4.831 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.934 5.249 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.124 6.417 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.893 4.694 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.850 5.922 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.423 7.633 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.151 7.134 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.981 6.777 -3.413 1.00 0.00 H new ATOM 191 N ILE A 13 -2.926 1.767 -1.974 1.00 0.00 N ATOM 192 CA ILE A 13 -1.681 0.949 -1.998 1.00 0.00 C ATOM 193 C ILE A 13 -1.827 -0.175 -3.025 1.00 0.00 C ATOM 194 O ILE A 13 -0.977 -0.372 -3.871 1.00 0.00 O ATOM 195 CB ILE A 13 -1.441 0.346 -0.613 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.390 1.466 0.428 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.114 -0.414 -0.608 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.987 0.886 1.785 1.00 0.00 C ATOM 0 H ILE A 13 -3.418 1.781 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.836 1.582 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.253 -0.340 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.676 2.230 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.363 1.951 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.056 -0.843 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.149 -1.212 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.698 0.271 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.951 1.685 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.718 0.138 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.004 0.421 1.705 1.00 0.00 H new ATOM 210 N ARG A 14 -2.902 -0.913 -2.962 1.00 0.00 N ATOM 211 CA ARG A 14 -3.102 -2.020 -3.937 1.00 0.00 C ATOM 212 C ARG A 14 -2.950 -1.469 -5.357 1.00 0.00 C ATOM 213 O ARG A 14 -2.473 -2.143 -6.248 1.00 0.00 O ATOM 214 CB ARG A 14 -4.506 -2.603 -3.762 1.00 0.00 C ATOM 215 CG ARG A 14 -4.819 -3.547 -4.925 1.00 0.00 C ATOM 216 CD ARG A 14 -6.163 -4.234 -4.676 1.00 0.00 C ATOM 217 NE ARG A 14 -6.054 -5.680 -5.021 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.075 -6.307 -5.540 1.00 0.00 C ATOM 219 NH1 ARG A 14 -8.284 -6.037 -5.128 1.00 0.00 N ATOM 220 NH2 ARG A 14 -6.888 -7.201 -6.471 1.00 0.00 N ATOM 0 H ARG A 14 -3.649 -0.796 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.362 -2.802 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.572 -3.141 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.242 -1.800 -3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.851 -2.990 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.030 -4.293 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.454 -4.119 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.941 -3.763 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.181 -6.180 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.431 -5.337 -4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.082 -6.526 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.944 -7.411 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.686 -7.690 -6.876 1.00 0.00 H new ATOM 234 N GLN A 15 -3.353 -0.246 -5.571 1.00 0.00 N ATOM 235 CA GLN A 15 -3.234 0.357 -6.927 1.00 0.00 C ATOM 236 C GLN A 15 -1.770 0.344 -7.370 1.00 0.00 C ATOM 237 O GLN A 15 -1.410 -0.300 -8.336 1.00 0.00 O ATOM 238 CB GLN A 15 -3.741 1.801 -6.889 1.00 0.00 C ATOM 239 CG GLN A 15 -5.141 1.869 -7.503 1.00 0.00 C ATOM 240 CD GLN A 15 -5.956 2.950 -6.790 1.00 0.00 C ATOM 241 OE1 GLN A 15 -5.421 3.960 -6.381 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.239 2.778 -6.621 1.00 0.00 N ATOM 0 H GLN A 15 -3.761 0.363 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.830 -0.222 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.766 2.162 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.060 2.451 -7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.073 2.092 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.638 0.903 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.689 1.930 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.791 3.492 -6.146 1.00 0.00 H new ATOM 251 N ALA A 16 -0.919 1.048 -6.672 1.00 0.00 N ATOM 252 CA ALA A 16 0.521 1.068 -7.061 1.00 0.00 C ATOM 253 C ALA A 16 1.030 -0.369 -7.165 1.00 0.00 C ATOM 254 O ALA A 16 1.774 -0.716 -8.061 1.00 0.00 O ATOM 255 CB ALA A 16 1.328 1.821 -6.001 1.00 0.00 C ATOM 0 H ALA A 16 -1.157 1.608 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 16 0.635 1.569 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.380 1.835 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.960 2.844 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.220 1.321 -5.038 1.00 0.00 H new ATOM 261 N ILE A 17 0.627 -1.208 -6.253 1.00 0.00 N ATOM 262 CA ILE A 17 1.069 -2.630 -6.283 1.00 0.00 C ATOM 263 C ILE A 17 0.445 -3.330 -7.492 1.00 0.00 C ATOM 264 O ILE A 17 1.083 -4.113 -8.169 1.00 0.00 O ATOM 265 CB ILE A 17 0.602 -3.313 -5.003 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.352 -2.719 -3.809 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.884 -4.814 -5.088 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.957 -3.466 -2.534 1.00 0.00 C ATOM 0 H ILE A 17 0.005 -0.968 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 17 2.155 -2.683 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.469 -3.155 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.428 -2.794 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.117 -1.659 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.549 -5.300 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.350 -5.237 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.954 -4.977 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.492 -3.042 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.117 -3.368 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.214 -4.520 -2.636 1.00 0.00 H new ATOM 280 N LEU A 18 -0.801 -3.056 -7.766 1.00 0.00 N ATOM 281 CA LEU A 18 -1.473 -3.704 -8.927 1.00 0.00 C ATOM 282 C LEU A 18 -0.773 -3.288 -10.223 1.00 0.00 C ATOM 283 O LEU A 18 -0.991 -3.865 -11.270 1.00 0.00 O ATOM 284 CB LEU A 18 -2.939 -3.266 -8.974 1.00 0.00 C ATOM 285 CG LEU A 18 -3.841 -4.474 -8.714 1.00 0.00 C ATOM 286 CD1 LEU A 18 -5.300 -4.017 -8.646 1.00 0.00 C ATOM 287 CD2 LEU A 18 -3.679 -5.485 -9.850 1.00 0.00 C ATOM 0 H LEU A 18 -1.384 -2.410 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.419 -4.787 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.123 -2.494 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.168 -2.830 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.560 -4.939 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.943 -4.878 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.418 -3.295 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.580 -3.552 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.321 -6.346 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.960 -5.019 -10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.640 -5.812 -9.901 1.00 0.00 H new ATOM 299 N GLU A 19 0.066 -2.291 -10.162 1.00 0.00 N ATOM 300 CA GLU A 19 0.777 -1.839 -11.392 1.00 0.00 C ATOM 301 C GLU A 19 1.720 -2.945 -11.873 1.00 0.00 C ATOM 302 O GLU A 19 2.121 -2.976 -13.020 1.00 0.00 O ATOM 303 CB GLU A 19 1.588 -0.579 -11.080 1.00 0.00 C ATOM 304 CG GLU A 19 2.457 -0.217 -12.285 1.00 0.00 C ATOM 305 CD GLU A 19 2.406 1.295 -12.518 1.00 0.00 C ATOM 306 OE1 GLU A 19 1.832 1.983 -11.689 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.942 1.739 -13.520 1.00 0.00 O ATOM 0 H GLU A 19 0.290 -1.770 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 19 0.048 -1.618 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.918 0.247 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.215 -0.745 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.486 -0.534 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.105 -0.744 -13.172 1.00 0.00 H new ATOM 314 N SER A 20 2.080 -3.853 -11.007 1.00 0.00 N ATOM 315 CA SER A 20 2.999 -4.955 -11.415 1.00 0.00 C ATOM 316 C SER A 20 2.181 -6.139 -11.939 1.00 0.00 C ATOM 317 O SER A 20 1.013 -6.270 -11.629 1.00 0.00 O ATOM 318 CB SER A 20 3.824 -5.401 -10.209 1.00 0.00 C ATOM 319 OG SER A 20 2.979 -5.487 -9.069 1.00 0.00 O ATOM 0 H SER A 20 1.777 -3.880 -10.033 1.00 0.00 H new ATOM 0 HA SER A 20 3.665 -4.599 -12.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.286 -6.368 -10.407 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.632 -4.693 -10.025 1.00 0.00 H new ATOM 0 HG SER A 20 2.628 -4.598 -8.854 1.00 0.00 H new ATOM 325 N PRO A 21 2.824 -6.969 -12.722 1.00 0.00 N ATOM 326 CA PRO A 21 2.191 -8.160 -13.313 1.00 0.00 C ATOM 327 C PRO A 21 2.089 -9.285 -12.276 1.00 0.00 C ATOM 328 O PRO A 21 1.700 -10.394 -12.584 1.00 0.00 O ATOM 329 CB PRO A 21 3.144 -8.548 -14.447 1.00 0.00 C ATOM 330 CG PRO A 21 4.518 -7.933 -14.092 1.00 0.00 C ATOM 331 CD PRO A 21 4.245 -6.794 -13.090 1.00 0.00 C ATOM 0 HA PRO A 21 1.174 -7.976 -13.661 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.216 -9.632 -14.540 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.784 -8.169 -15.404 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.177 -8.683 -13.655 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.015 -7.553 -14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.894 -6.867 -12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.423 -5.817 -13.539 1.00 0.00 H new ATOM 339 N GLU A 22 2.433 -9.007 -11.047 1.00 0.00 N ATOM 340 CA GLU A 22 2.355 -10.052 -9.993 1.00 0.00 C ATOM 341 C GLU A 22 1.815 -9.431 -8.704 1.00 0.00 C ATOM 342 O GLU A 22 1.935 -9.988 -7.632 1.00 0.00 O ATOM 343 CB GLU A 22 3.749 -10.631 -9.741 1.00 0.00 C ATOM 344 CG GLU A 22 4.165 -11.496 -10.933 1.00 0.00 C ATOM 345 CD GLU A 22 5.520 -12.145 -10.645 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.471 -11.412 -10.424 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.584 -13.363 -10.651 1.00 0.00 O ATOM 0 H GLU A 22 2.766 -8.097 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 22 1.688 -10.850 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.468 -9.825 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.747 -11.227 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.414 -12.264 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.226 -10.886 -11.834 1.00 0.00 H new ATOM 354 N LYS A 23 1.201 -8.288 -8.808 1.00 0.00 N ATOM 355 CA LYS A 23 0.635 -7.623 -7.614 1.00 0.00 C ATOM 356 C LYS A 23 1.654 -7.618 -6.471 1.00 0.00 C ATOM 357 O LYS A 23 1.300 -7.701 -5.313 1.00 0.00 O ATOM 358 CB LYS A 23 -0.629 -8.355 -7.187 1.00 0.00 C ATOM 359 CG LYS A 23 -1.302 -8.996 -8.403 1.00 0.00 C ATOM 360 CD LYS A 23 -0.933 -10.477 -8.467 1.00 0.00 C ATOM 361 CE LYS A 23 -2.171 -11.297 -8.834 1.00 0.00 C ATOM 362 NZ LYS A 23 -1.749 -12.606 -9.408 1.00 0.00 N ATOM 0 H LYS A 23 1.068 -7.783 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 23 0.392 -6.589 -7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.384 -9.121 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.316 -7.659 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.384 -8.882 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.985 -8.491 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.147 -10.635 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.538 -10.806 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.789 -11.458 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.781 -10.752 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.591 -13.163 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.177 -12.443 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.184 -13.127 -8.707 1.00 0.00 H new ATOM 376 N GLN A 24 2.910 -7.490 -6.790 1.00 0.00 N ATOM 377 CA GLN A 24 3.956 -7.441 -5.726 1.00 0.00 C ATOM 378 C GLN A 24 4.874 -6.258 -6.000 1.00 0.00 C ATOM 379 O GLN A 24 5.188 -5.964 -7.136 1.00 0.00 O ATOM 380 CB GLN A 24 4.802 -8.722 -5.720 1.00 0.00 C ATOM 381 CG GLN A 24 4.645 -9.478 -7.040 1.00 0.00 C ATOM 382 CD GLN A 24 5.956 -10.190 -7.379 1.00 0.00 C ATOM 383 OE1 GLN A 24 5.953 -11.346 -7.754 1.00 0.00 O ATOM 384 NE2 GLN A 24 7.085 -9.547 -7.261 1.00 0.00 N ATOM 0 H GLN A 24 3.261 -7.417 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 24 3.463 -7.343 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.851 -8.471 -5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.498 -9.361 -4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.835 -10.203 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.378 -8.786 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.089 -8.577 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.964 -10.015 -7.483 1.00 0.00 H new ATOM 393 N LEU A 25 5.312 -5.566 -4.984 1.00 0.00 N ATOM 394 CA LEU A 25 6.201 -4.414 -5.249 1.00 0.00 C ATOM 395 C LEU A 25 6.986 -4.005 -4.003 1.00 0.00 C ATOM 396 O LEU A 25 6.507 -4.098 -2.895 1.00 0.00 O ATOM 397 CB LEU A 25 5.360 -3.234 -5.726 1.00 0.00 C ATOM 398 CG LEU A 25 5.396 -3.140 -7.253 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.761 -1.820 -7.695 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.845 -3.193 -7.742 1.00 0.00 C ATOM 0 H LEU A 25 5.096 -5.747 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 25 6.919 -4.709 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.331 -3.351 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.737 -2.309 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 25 4.841 -3.977 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.785 -1.751 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.727 -1.781 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.317 -0.987 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.865 -3.126 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.403 -2.359 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.301 -4.132 -7.428 1.00 0.00 H new ATOM 412 N THR A 26 8.196 -3.548 -4.184 1.00 0.00 N ATOM 413 CA THR A 26 9.022 -3.126 -3.016 1.00 0.00 C ATOM 414 C THR A 26 8.467 -1.823 -2.438 1.00 0.00 C ATOM 415 O THR A 26 7.618 -1.184 -3.025 1.00 0.00 O ATOM 416 CB THR A 26 10.469 -2.905 -3.466 1.00 0.00 C ATOM 417 OG1 THR A 26 10.594 -1.605 -4.029 1.00 0.00 O ATOM 418 CG2 THR A 26 10.848 -3.954 -4.513 1.00 0.00 C ATOM 0 H THR A 26 8.649 -3.449 -5.092 1.00 0.00 H new ATOM 0 HA THR A 26 8.991 -3.904 -2.253 1.00 0.00 H new ATOM 0 HB THR A 26 11.134 -2.997 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.256 -1.613 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.878 -3.794 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.752 -4.950 -4.081 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.184 -3.866 -5.373 1.00 0.00 H new ATOM 426 N LEU A 27 8.940 -1.425 -1.287 1.00 0.00 N ATOM 427 CA LEU A 27 8.439 -0.165 -0.669 1.00 0.00 C ATOM 428 C LEU A 27 8.897 1.036 -1.501 1.00 0.00 C ATOM 429 O LEU A 27 8.196 2.021 -1.624 1.00 0.00 O ATOM 430 CB LEU A 27 8.995 -0.038 0.752 1.00 0.00 C ATOM 431 CG LEU A 27 10.481 -0.404 0.758 1.00 0.00 C ATOM 432 CD1 LEU A 27 11.291 0.749 1.356 1.00 0.00 C ATOM 433 CD2 LEU A 27 10.693 -1.663 1.602 1.00 0.00 C ATOM 0 H LEU A 27 9.652 -1.919 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 27 7.350 -0.189 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.860 0.980 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.446 -0.694 1.428 1.00 0.00 H new ATOM 0 HG LEU A 27 10.811 -0.589 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.349 0.487 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.142 1.647 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.960 0.935 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.751 -1.924 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.361 -1.477 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.118 -2.486 1.178 1.00 0.00 H new ATOM 445 N ASN A 28 10.071 0.966 -2.066 1.00 0.00 N ATOM 446 CA ASN A 28 10.577 2.107 -2.882 1.00 0.00 C ATOM 447 C ASN A 28 9.616 2.383 -4.041 1.00 0.00 C ATOM 448 O ASN A 28 9.196 3.503 -4.256 1.00 0.00 O ATOM 449 CB ASN A 28 11.959 1.761 -3.439 1.00 0.00 C ATOM 450 CG ASN A 28 12.727 3.048 -3.746 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.180 3.727 -2.846 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.894 3.414 -4.987 1.00 0.00 N ATOM 0 H ASN A 28 10.702 0.168 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 28 10.647 2.995 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.512 1.159 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.858 1.162 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.405 4.270 -5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.514 2.844 -5.742 1.00 0.00 H new ATOM 459 N GLU A 29 9.271 1.376 -4.794 1.00 0.00 N ATOM 460 CA GLU A 29 8.346 1.585 -5.944 1.00 0.00 C ATOM 461 C GLU A 29 7.053 2.248 -5.461 1.00 0.00 C ATOM 462 O GLU A 29 6.617 3.244 -6.004 1.00 0.00 O ATOM 463 CB GLU A 29 8.014 0.236 -6.584 1.00 0.00 C ATOM 464 CG GLU A 29 8.869 0.042 -7.839 1.00 0.00 C ATOM 465 CD GLU A 29 9.835 -1.125 -7.624 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.556 -1.948 -6.767 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.835 -1.175 -8.319 1.00 0.00 O ATOM 0 H GLU A 29 9.590 0.416 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 29 8.829 2.231 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.201 -0.571 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.956 0.194 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.230 -0.155 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.426 0.953 -8.057 1.00 0.00 H new ATOM 474 N ILE A 30 6.432 1.701 -4.452 1.00 0.00 N ATOM 475 CA ILE A 30 5.163 2.298 -3.945 1.00 0.00 C ATOM 476 C ILE A 30 5.412 3.738 -3.489 1.00 0.00 C ATOM 477 O ILE A 30 4.582 4.607 -3.667 1.00 0.00 O ATOM 478 CB ILE A 30 4.647 1.474 -2.765 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.525 0.007 -3.182 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.275 1.998 -2.340 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.602 -0.105 -4.397 1.00 0.00 C ATOM 0 H ILE A 30 6.748 0.867 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 30 4.422 2.296 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 30 5.343 1.558 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.509 -0.397 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.130 -0.585 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.906 1.411 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.361 3.043 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.579 1.913 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.516 -1.150 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.616 0.282 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.016 0.473 -5.223 1.00 0.00 H new ATOM 493 N TYR A 31 6.544 3.996 -2.893 1.00 0.00 N ATOM 494 CA TYR A 31 6.838 5.379 -2.419 1.00 0.00 C ATOM 495 C TYR A 31 6.916 6.331 -3.615 1.00 0.00 C ATOM 496 O TYR A 31 6.289 7.371 -3.633 1.00 0.00 O ATOM 497 CB TYR A 31 8.174 5.386 -1.673 1.00 0.00 C ATOM 498 CG TYR A 31 8.445 6.770 -1.134 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.925 7.152 0.108 1.00 0.00 C ATOM 500 CD2 TYR A 31 9.216 7.672 -1.878 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.176 8.435 0.609 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.467 8.956 -1.378 1.00 0.00 C ATOM 503 CZ TYR A 31 8.948 9.336 -0.134 1.00 0.00 C ATOM 504 OH TYR A 31 9.196 10.602 0.358 1.00 0.00 O ATOM 0 H TYR A 31 7.277 3.310 -2.714 1.00 0.00 H new ATOM 0 HA TYR A 31 6.043 5.708 -1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.150 4.665 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.978 5.082 -2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.329 6.456 0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.617 7.378 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.775 8.729 1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.060 9.653 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 31 9.748 11.099 -0.281 1.00 0.00 H new ATOM 514 N ASN A 32 7.686 5.987 -4.609 1.00 0.00 N ATOM 515 CA ASN A 32 7.810 6.877 -5.799 1.00 0.00 C ATOM 516 C ASN A 32 6.437 7.080 -6.445 1.00 0.00 C ATOM 517 O ASN A 32 6.064 8.181 -6.798 1.00 0.00 O ATOM 518 CB ASN A 32 8.760 6.234 -6.814 1.00 0.00 C ATOM 519 CG ASN A 32 10.192 6.290 -6.281 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.666 5.347 -5.679 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.907 7.364 -6.478 1.00 0.00 N ATOM 0 H ASN A 32 8.235 5.128 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 32 8.204 7.844 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.469 5.199 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.696 6.756 -7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.863 7.412 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.509 8.156 -6.983 1.00 0.00 H new ATOM 528 N TRP A 33 5.685 6.026 -6.612 1.00 0.00 N ATOM 529 CA TRP A 33 4.342 6.158 -7.246 1.00 0.00 C ATOM 530 C TRP A 33 3.439 7.049 -6.390 1.00 0.00 C ATOM 531 O TRP A 33 2.726 7.892 -6.897 1.00 0.00 O ATOM 532 CB TRP A 33 3.705 4.772 -7.376 1.00 0.00 C ATOM 533 CG TRP A 33 2.307 4.909 -7.891 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.939 4.764 -9.184 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.090 5.216 -7.151 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.573 4.959 -9.286 1.00 0.00 N ATOM 537 CE2 TRP A 33 0.005 5.241 -8.059 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.823 5.472 -5.794 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.298 5.511 -7.636 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.487 5.743 -5.365 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.545 5.762 -6.285 1.00 0.00 C ATOM 0 H TRP A 33 5.943 5.078 -6.337 1.00 0.00 H new ATOM 0 HA TRP A 33 4.457 6.609 -8.232 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.293 4.152 -8.052 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.699 4.271 -6.408 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.603 4.533 -10.004 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.050 4.902 -10.160 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.631 5.460 -5.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.109 5.526 -8.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.680 5.938 -4.320 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.550 5.971 -5.949 1.00 0.00 H new ATOM 552 N PHE A 34 3.449 6.861 -5.099 1.00 0.00 N ATOM 553 CA PHE A 34 2.573 7.689 -4.219 1.00 0.00 C ATOM 554 C PHE A 34 2.835 9.180 -4.454 1.00 0.00 C ATOM 555 O PHE A 34 1.930 9.940 -4.738 1.00 0.00 O ATOM 556 CB PHE A 34 2.860 7.350 -2.756 1.00 0.00 C ATOM 557 CG PHE A 34 1.771 6.450 -2.223 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.670 5.129 -2.675 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.862 6.936 -1.274 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.661 4.294 -2.180 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.148 6.102 -0.780 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.247 4.781 -1.233 1.00 0.00 C ATOM 0 H PHE A 34 4.024 6.172 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 34 1.531 7.472 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.828 6.857 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.913 8.264 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.371 4.754 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.941 7.954 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.583 3.275 -2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.850 6.477 -0.050 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.025 4.137 -0.851 1.00 0.00 H new ATOM 572 N THR A 35 4.059 9.611 -4.321 1.00 0.00 N ATOM 573 CA THR A 35 4.368 11.058 -4.516 1.00 0.00 C ATOM 574 C THR A 35 4.153 11.463 -5.979 1.00 0.00 C ATOM 575 O THR A 35 3.483 12.434 -6.270 1.00 0.00 O ATOM 576 CB THR A 35 5.827 11.320 -4.130 1.00 0.00 C ATOM 577 OG1 THR A 35 6.198 10.454 -3.067 1.00 0.00 O ATOM 578 CG2 THR A 35 5.984 12.775 -3.685 1.00 0.00 C ATOM 0 H THR A 35 4.860 9.025 -4.086 1.00 0.00 H new ATOM 0 HA THR A 35 3.701 11.647 -3.886 1.00 0.00 H new ATOM 0 HB THR A 35 6.470 11.134 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.132 10.620 -2.821 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.022 12.961 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.700 13.438 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.342 12.964 -2.825 1.00 0.00 H new ATOM 586 N ARG A 36 4.729 10.741 -6.899 1.00 0.00 N ATOM 587 CA ARG A 36 4.573 11.099 -8.341 1.00 0.00 C ATOM 588 C ARG A 36 3.091 11.216 -8.708 1.00 0.00 C ATOM 589 O ARG A 36 2.711 12.027 -9.528 1.00 0.00 O ATOM 590 CB ARG A 36 5.223 10.017 -9.204 1.00 0.00 C ATOM 591 CG ARG A 36 5.881 10.667 -10.423 1.00 0.00 C ATOM 592 CD ARG A 36 6.843 9.671 -11.074 1.00 0.00 C ATOM 593 NE ARG A 36 8.227 10.220 -11.028 1.00 0.00 N ATOM 594 CZ ARG A 36 9.247 9.431 -11.226 1.00 0.00 C ATOM 595 NH1 ARG A 36 9.321 8.721 -12.318 1.00 0.00 N ATOM 596 NH2 ARG A 36 10.195 9.352 -10.332 1.00 0.00 N ATOM 0 H ARG A 36 5.302 9.917 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 36 5.056 12.060 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.967 9.471 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.474 9.293 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.120 10.975 -11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.419 11.566 -10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.802 8.714 -10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.548 9.485 -12.107 1.00 0.00 H new ATOM 0 HE ARG A 36 8.377 11.212 -10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.581 8.783 -13.017 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.119 8.104 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.138 9.907 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.992 8.735 -10.487 1.00 0.00 H new ATOM 610 N MET A 37 2.252 10.410 -8.120 1.00 0.00 N ATOM 611 CA MET A 37 0.801 10.478 -8.452 1.00 0.00 C ATOM 612 C MET A 37 0.124 11.559 -7.607 1.00 0.00 C ATOM 613 O MET A 37 -0.675 12.332 -8.098 1.00 0.00 O ATOM 614 CB MET A 37 0.148 9.124 -8.168 1.00 0.00 C ATOM 615 CG MET A 37 0.086 8.307 -9.461 1.00 0.00 C ATOM 616 SD MET A 37 -1.511 8.579 -10.269 1.00 0.00 S ATOM 617 CE MET A 37 -2.060 6.854 -10.279 1.00 0.00 C ATOM 0 H MET A 37 2.507 9.708 -7.425 1.00 0.00 H new ATOM 0 HA MET A 37 0.686 10.724 -9.508 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.718 8.585 -7.411 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.856 9.269 -7.768 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.898 8.599 -10.128 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.219 7.248 -9.241 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.587 6.645 -11.210 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.195 6.196 -10.197 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.729 6.680 -9.436 1.00 0.00 H new ATOM 627 N PHE A 38 0.431 11.619 -6.341 1.00 0.00 N ATOM 628 CA PHE A 38 -0.204 12.652 -5.475 1.00 0.00 C ATOM 629 C PHE A 38 0.886 13.487 -4.789 1.00 0.00 C ATOM 630 O PHE A 38 1.817 12.940 -4.231 1.00 0.00 O ATOM 631 CB PHE A 38 -1.066 11.961 -4.417 1.00 0.00 C ATOM 632 CG PHE A 38 -1.963 10.950 -5.090 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.776 11.341 -6.161 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.983 9.623 -4.643 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.607 10.405 -6.787 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.816 8.687 -5.269 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.627 9.077 -6.341 1.00 0.00 C ATOM 0 H PHE A 38 1.091 11.000 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.828 13.307 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.432 11.469 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.665 12.697 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.762 12.365 -6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.357 9.322 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.233 10.706 -7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.833 7.664 -4.924 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.268 8.354 -6.824 1.00 0.00 H new ATOM 647 N PRO A 39 0.741 14.789 -4.852 1.00 0.00 N ATOM 648 CA PRO A 39 1.705 15.723 -4.246 1.00 0.00 C ATOM 649 C PRO A 39 1.475 15.835 -2.736 1.00 0.00 C ATOM 650 O PRO A 39 2.220 16.488 -2.032 1.00 0.00 O ATOM 651 CB PRO A 39 1.400 17.053 -4.940 1.00 0.00 C ATOM 652 CG PRO A 39 -0.053 16.951 -5.463 1.00 0.00 C ATOM 653 CD PRO A 39 -0.393 15.450 -5.532 1.00 0.00 C ATOM 0 HA PRO A 39 2.740 15.406 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.505 17.886 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.096 17.232 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.741 17.474 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.144 17.414 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.338 15.232 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.491 15.111 -6.563 1.00 0.00 H new ATOM 661 N TYR A 40 0.449 15.205 -2.232 1.00 0.00 N ATOM 662 CA TYR A 40 0.179 15.283 -0.769 1.00 0.00 C ATOM 663 C TYR A 40 1.336 14.638 -0.003 1.00 0.00 C ATOM 664 O TYR A 40 1.907 15.230 0.892 1.00 0.00 O ATOM 665 CB TYR A 40 -1.121 14.543 -0.447 1.00 0.00 C ATOM 666 CG TYR A 40 -1.373 14.604 1.041 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.924 15.758 1.610 1.00 0.00 C ATOM 668 CD2 TYR A 40 -1.054 13.508 1.850 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.155 15.816 2.989 1.00 0.00 C ATOM 670 CE2 TYR A 40 -1.285 13.566 3.230 1.00 0.00 C ATOM 671 CZ TYR A 40 -1.836 14.721 3.799 1.00 0.00 C ATOM 672 OH TYR A 40 -2.063 14.777 5.159 1.00 0.00 O ATOM 0 H TYR A 40 -0.211 14.642 -2.768 1.00 0.00 H new ATOM 0 HA TYR A 40 0.083 16.328 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.953 14.994 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.053 13.505 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.171 16.603 0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.630 12.617 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.580 16.707 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.038 12.721 3.855 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.786 13.932 5.572 1.00 0.00 H new ATOM 682 N PHE A 41 1.686 13.430 -0.347 1.00 0.00 N ATOM 683 CA PHE A 41 2.807 12.748 0.363 1.00 0.00 C ATOM 684 C PHE A 41 4.135 13.406 -0.020 1.00 0.00 C ATOM 685 O PHE A 41 5.163 13.133 0.565 1.00 0.00 O ATOM 686 CB PHE A 41 2.831 11.271 -0.033 1.00 0.00 C ATOM 687 CG PHE A 41 1.429 10.717 0.033 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.818 10.506 1.275 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.738 10.416 -1.147 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.484 9.995 1.337 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.563 9.904 -1.085 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.175 9.693 0.156 1.00 0.00 C ATOM 0 H PHE A 41 1.246 12.885 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 41 2.663 12.834 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.232 11.159 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.487 10.713 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.351 10.737 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.209 10.579 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.956 9.834 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.095 9.671 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.179 9.298 0.203 1.00 0.00 H new ATOM 702 N ARG A 42 4.124 14.279 -0.991 1.00 0.00 N ATOM 703 CA ARG A 42 5.390 14.955 -1.400 1.00 0.00 C ATOM 704 C ARG A 42 6.030 15.628 -0.182 1.00 0.00 C ATOM 705 O ARG A 42 7.194 15.973 -0.191 1.00 0.00 O ATOM 706 CB ARG A 42 5.085 16.011 -2.463 1.00 0.00 C ATOM 707 CG ARG A 42 6.362 16.333 -3.243 1.00 0.00 C ATOM 708 CD ARG A 42 6.074 16.266 -4.743 1.00 0.00 C ATOM 709 NE ARG A 42 6.979 17.202 -5.465 1.00 0.00 N ATOM 710 CZ ARG A 42 7.692 16.773 -6.471 1.00 0.00 C ATOM 711 NH1 ARG A 42 7.147 16.006 -7.374 1.00 0.00 N ATOM 712 NH2 ARG A 42 8.949 17.109 -6.571 1.00 0.00 N ATOM 0 H ARG A 42 3.295 14.553 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 42 6.078 14.215 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.314 15.647 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.696 16.914 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.724 17.326 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.149 15.626 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.220 15.249 -5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.034 16.528 -4.936 1.00 0.00 H new ATOM 0 HE ARG A 42 7.042 18.178 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.165 15.742 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.703 15.670 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.375 17.707 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.506 16.774 -7.357 1.00 0.00 H new ATOM 726 N ARG A 43 5.277 15.816 0.867 1.00 0.00 N ATOM 727 CA ARG A 43 5.835 16.462 2.087 1.00 0.00 C ATOM 728 C ARG A 43 5.201 15.815 3.318 1.00 0.00 C ATOM 729 O ARG A 43 5.868 15.509 4.286 1.00 0.00 O ATOM 730 CB ARG A 43 5.510 17.957 2.072 1.00 0.00 C ATOM 731 CG ARG A 43 4.004 18.154 2.257 1.00 0.00 C ATOM 732 CD ARG A 43 3.660 19.638 2.122 1.00 0.00 C ATOM 733 NE ARG A 43 2.296 19.780 1.537 1.00 0.00 N ATOM 734 CZ ARG A 43 2.129 19.690 0.246 1.00 0.00 C ATOM 735 NH1 ARG A 43 2.993 20.236 -0.564 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.096 19.054 -0.235 1.00 0.00 N ATOM 0 H ARG A 43 4.295 15.548 0.931 1.00 0.00 H new ATOM 0 HA ARG A 43 6.917 16.332 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.054 18.466 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.833 18.401 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.457 17.575 1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.697 17.787 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.701 20.122 3.098 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.393 20.136 1.488 1.00 0.00 H new ATOM 0 HE ARG A 43 1.494 19.947 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.800 20.734 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.862 20.165 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.420 18.628 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.965 18.983 -1.244 1.00 0.00 H new ATOM 750 N ASN A 44 3.915 15.600 3.281 1.00 0.00 N ATOM 751 CA ASN A 44 3.229 14.967 4.440 1.00 0.00 C ATOM 752 C ASN A 44 3.399 13.451 4.351 1.00 0.00 C ATOM 753 O ASN A 44 2.439 12.710 4.271 1.00 0.00 O ATOM 754 CB ASN A 44 1.740 15.319 4.405 1.00 0.00 C ATOM 755 CG ASN A 44 1.519 16.669 5.089 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.153 17.647 4.748 1.00 0.00 O ATOM 757 ND2 ASN A 44 0.636 16.764 6.047 1.00 0.00 N ATOM 0 H ASN A 44 3.309 15.836 2.495 1.00 0.00 H new ATOM 0 HA ASN A 44 3.663 15.332 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.389 15.360 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.160 14.545 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.479 17.660 6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.104 15.942 6.333 1.00 0.00 H new ATOM 764 N ALA A 45 4.617 12.984 4.366 1.00 0.00 N ATOM 765 CA ALA A 45 4.858 11.520 4.284 1.00 0.00 C ATOM 766 C ALA A 45 5.031 10.959 5.699 1.00 0.00 C ATOM 767 O ALA A 45 5.138 9.765 5.893 1.00 0.00 O ATOM 768 CB ALA A 45 6.128 11.258 3.473 1.00 0.00 C ATOM 0 H ALA A 45 5.458 13.558 4.432 1.00 0.00 H new ATOM 0 HA ALA A 45 4.012 11.035 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.306 10.184 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.008 11.663 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.976 11.739 3.960 1.00 0.00 H new ATOM 774 N ALA A 46 5.054 11.812 6.686 1.00 0.00 N ATOM 775 CA ALA A 46 5.216 11.334 8.087 1.00 0.00 C ATOM 776 C ALA A 46 3.883 10.779 8.593 1.00 0.00 C ATOM 777 O ALA A 46 3.842 9.880 9.409 1.00 0.00 O ATOM 778 CB ALA A 46 5.648 12.504 8.974 1.00 0.00 C ATOM 0 H ALA A 46 4.967 12.823 6.581 1.00 0.00 H new ATOM 0 HA ALA A 46 5.973 10.550 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.768 12.158 10.001 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.596 12.904 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.889 13.285 8.941 1.00 0.00 H new ATOM 784 N THR A 47 2.790 11.319 8.125 1.00 0.00 N ATOM 785 CA THR A 47 1.457 10.836 8.587 1.00 0.00 C ATOM 786 C THR A 47 1.101 9.506 7.913 1.00 0.00 C ATOM 787 O THR A 47 0.822 8.525 8.573 1.00 0.00 O ATOM 788 CB THR A 47 0.392 11.880 8.241 1.00 0.00 C ATOM 789 OG1 THR A 47 0.565 13.024 9.064 1.00 0.00 O ATOM 790 CG2 THR A 47 -1.000 11.288 8.474 1.00 0.00 C ATOM 0 H THR A 47 2.763 12.075 7.441 1.00 0.00 H new ATOM 0 HA THR A 47 1.495 10.683 9.666 1.00 0.00 H new ATOM 0 HB THR A 47 0.493 12.167 7.194 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.116 13.693 8.841 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.758 12.032 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.133 10.411 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.102 10.999 9.520 1.00 0.00 H new ATOM 798 N TRP A 48 1.089 9.462 6.606 1.00 0.00 N ATOM 799 CA TRP A 48 0.727 8.189 5.912 1.00 0.00 C ATOM 800 C TRP A 48 1.656 7.059 6.372 1.00 0.00 C ATOM 801 O TRP A 48 1.237 5.931 6.541 1.00 0.00 O ATOM 802 CB TRP A 48 0.829 8.381 4.388 1.00 0.00 C ATOM 803 CG TRP A 48 2.228 8.137 3.920 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.278 8.922 4.216 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.744 7.055 3.090 1.00 0.00 C ATOM 806 NE1 TRP A 48 4.412 8.404 3.619 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.134 7.249 2.914 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.147 5.937 2.479 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.906 6.367 2.157 1.00 0.00 C ATOM 810 CZ3 TRP A 48 2.922 5.047 1.717 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.298 5.262 1.557 1.00 0.00 C ATOM 0 H TRP A 48 1.312 10.246 5.993 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.299 7.920 6.165 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.146 7.697 3.883 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.522 9.392 4.122 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.242 9.815 4.823 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.339 8.823 3.690 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.088 5.762 2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.966 6.537 2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.455 4.192 1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.888 4.573 0.970 1.00 0.00 H new ATOM 822 N LYS A 49 2.913 7.348 6.570 1.00 0.00 N ATOM 823 CA LYS A 49 3.860 6.285 7.009 1.00 0.00 C ATOM 824 C LYS A 49 3.366 5.658 8.316 1.00 0.00 C ATOM 825 O LYS A 49 3.460 4.463 8.515 1.00 0.00 O ATOM 826 CB LYS A 49 5.246 6.891 7.233 1.00 0.00 C ATOM 827 CG LYS A 49 6.316 5.895 6.783 1.00 0.00 C ATOM 828 CD LYS A 49 7.632 6.196 7.504 1.00 0.00 C ATOM 829 CE LYS A 49 8.649 5.097 7.190 1.00 0.00 C ATOM 830 NZ LYS A 49 9.961 5.718 6.848 1.00 0.00 N ATOM 0 H LYS A 49 3.325 8.273 6.447 1.00 0.00 H new ATOM 0 HA LYS A 49 3.917 5.518 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.342 7.822 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.382 7.136 8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.994 4.877 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.457 5.960 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.019 7.165 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.465 6.255 8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.761 4.434 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.296 4.486 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.653 4.972 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.848 6.333 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.298 6.283 7.654 1.00 0.00 H new ATOM 844 N ASN A 50 2.845 6.454 9.209 1.00 0.00 N ATOM 845 CA ASN A 50 2.354 5.903 10.504 1.00 0.00 C ATOM 846 C ASN A 50 1.063 5.112 10.279 1.00 0.00 C ATOM 847 O ASN A 50 0.913 4.003 10.752 1.00 0.00 O ATOM 848 CB ASN A 50 2.081 7.053 11.476 1.00 0.00 C ATOM 849 CG ASN A 50 2.349 6.588 12.908 1.00 0.00 C ATOM 850 OD1 ASN A 50 1.428 6.358 13.667 1.00 0.00 O ATOM 851 ND2 ASN A 50 3.581 6.439 13.312 1.00 0.00 N ATOM 0 H ASN A 50 2.738 7.462 9.098 1.00 0.00 H new ATOM 0 HA ASN A 50 3.113 5.241 10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.716 7.905 11.235 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.048 7.388 11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.771 6.129 14.265 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.354 6.632 12.675 1.00 0.00 H new ATOM 858 N ALA A 51 0.125 5.674 9.566 1.00 0.00 N ATOM 859 CA ALA A 51 -1.157 4.952 9.323 1.00 0.00 C ATOM 860 C ALA A 51 -0.920 3.772 8.375 1.00 0.00 C ATOM 861 O ALA A 51 -1.608 2.773 8.432 1.00 0.00 O ATOM 862 CB ALA A 51 -2.172 5.912 8.697 1.00 0.00 C ATOM 0 H ALA A 51 0.190 6.599 9.142 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.542 4.578 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.109 5.385 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.348 6.748 9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.782 6.288 7.751 1.00 0.00 H new ATOM 868 N VAL A 52 0.044 3.878 7.502 1.00 0.00 N ATOM 869 CA VAL A 52 0.312 2.758 6.556 1.00 0.00 C ATOM 870 C VAL A 52 0.969 1.599 7.306 1.00 0.00 C ATOM 871 O VAL A 52 0.473 0.489 7.311 1.00 0.00 O ATOM 872 CB VAL A 52 1.247 3.238 5.446 1.00 0.00 C ATOM 873 CG1 VAL A 52 1.667 2.048 4.583 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.518 4.266 4.576 1.00 0.00 C ATOM 0 H VAL A 52 0.656 4.688 7.403 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.629 2.422 6.120 1.00 0.00 H new ATOM 0 HB VAL A 52 2.132 3.696 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.334 2.390 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.184 1.315 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.783 1.590 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.183 4.609 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.366 3.807 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.217 5.115 5.190 1.00 0.00 H new ATOM 884 N ARG A 53 2.084 1.845 7.939 1.00 0.00 N ATOM 885 CA ARG A 53 2.772 0.756 8.687 1.00 0.00 C ATOM 886 C ARG A 53 1.752 -0.002 9.538 1.00 0.00 C ATOM 887 O ARG A 53 1.673 -1.214 9.497 1.00 0.00 O ATOM 888 CB ARG A 53 3.847 1.360 9.592 1.00 0.00 C ATOM 889 CG ARG A 53 5.015 0.382 9.724 1.00 0.00 C ATOM 890 CD ARG A 53 5.832 0.388 8.430 1.00 0.00 C ATOM 891 NE ARG A 53 6.735 1.573 8.419 1.00 0.00 N ATOM 892 CZ ARG A 53 7.148 2.070 7.284 1.00 0.00 C ATOM 893 NH1 ARG A 53 6.283 2.516 6.414 1.00 0.00 N ATOM 894 NH2 ARG A 53 8.424 2.121 7.020 1.00 0.00 N ATOM 0 H ARG A 53 2.548 2.753 7.970 1.00 0.00 H new ATOM 0 HA ARG A 53 3.237 0.068 7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.196 2.306 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.429 1.578 10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.646 0.664 10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.642 -0.622 9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.416 -0.529 8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.167 0.416 7.567 1.00 0.00 H new ATOM 0 HE ARG A 53 7.031 1.996 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.285 2.476 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.605 2.904 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.100 1.773 7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.746 2.509 6.134 1.00 0.00 H new ATOM 908 N HIS A 54 0.971 0.702 10.311 1.00 0.00 N ATOM 909 CA HIS A 54 -0.042 0.019 11.165 1.00 0.00 C ATOM 910 C HIS A 54 -0.938 -0.863 10.293 1.00 0.00 C ATOM 911 O HIS A 54 -0.989 -2.065 10.456 1.00 0.00 O ATOM 912 CB HIS A 54 -0.899 1.068 11.878 1.00 0.00 C ATOM 913 CG HIS A 54 -2.056 0.391 12.559 1.00 0.00 C ATOM 914 ND1 HIS A 54 -1.886 -0.428 13.665 1.00 0.00 N ATOM 915 CD2 HIS A 54 -3.405 0.402 12.305 1.00 0.00 C ATOM 916 CE1 HIS A 54 -3.102 -0.871 14.032 1.00 0.00 C ATOM 917 NE2 HIS A 54 -4.063 -0.396 13.235 1.00 0.00 N ATOM 0 H HIS A 54 0.990 1.719 10.388 1.00 0.00 H new ATOM 0 HA HIS A 54 0.467 -0.600 11.904 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.298 1.608 12.610 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.265 1.803 11.161 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.883 0.947 11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.280 -1.530 14.869 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.065 -0.579 13.295 1.00 0.00 H new ATOM 925 N ASN A 55 -1.644 -0.274 9.367 1.00 0.00 N ATOM 926 CA ASN A 55 -2.537 -1.080 8.486 1.00 0.00 C ATOM 927 C ASN A 55 -1.718 -2.156 7.769 1.00 0.00 C ATOM 928 O ASN A 55 -2.192 -3.245 7.520 1.00 0.00 O ATOM 929 CB ASN A 55 -3.188 -0.162 7.449 1.00 0.00 C ATOM 930 CG ASN A 55 -4.709 -0.199 7.615 1.00 0.00 C ATOM 931 OD1 ASN A 55 -5.221 -0.859 8.497 1.00 0.00 O ATOM 932 ND2 ASN A 55 -5.459 0.487 6.795 1.00 0.00 N ATOM 0 H ASN A 55 -1.641 0.729 9.182 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.309 -1.556 9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.823 0.858 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.914 -0.480 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.474 0.468 6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.030 1.041 6.054 1.00 0.00 H new ATOM 939 N LEU A 56 -0.494 -1.858 7.431 1.00 0.00 N ATOM 940 CA LEU A 56 0.353 -2.861 6.722 1.00 0.00 C ATOM 941 C LEU A 56 0.567 -4.091 7.608 1.00 0.00 C ATOM 942 O LEU A 56 0.293 -5.207 7.213 1.00 0.00 O ATOM 943 CB LEU A 56 1.708 -2.232 6.386 1.00 0.00 C ATOM 944 CG LEU A 56 2.094 -2.577 4.945 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.065 -4.094 4.759 1.00 0.00 C ATOM 946 CD2 LEU A 56 1.101 -1.925 3.980 1.00 0.00 C ATOM 0 H LEU A 56 -0.042 -0.962 7.615 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.149 -3.168 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.658 -1.150 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.470 -2.597 7.074 1.00 0.00 H new ATOM 0 HG LEU A 56 3.098 -2.205 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.340 -4.340 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.773 -4.558 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.062 -4.467 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.376 -2.171 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.097 -2.296 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.122 -0.843 4.112 1.00 0.00 H new ATOM 958 N SER A 57 1.068 -3.900 8.797 1.00 0.00 N ATOM 959 CA SER A 57 1.312 -5.062 9.701 1.00 0.00 C ATOM 960 C SER A 57 -0.008 -5.771 10.020 1.00 0.00 C ATOM 961 O SER A 57 -0.069 -6.982 10.091 1.00 0.00 O ATOM 962 CB SER A 57 1.948 -4.568 11.000 1.00 0.00 C ATOM 963 OG SER A 57 1.153 -3.521 11.542 1.00 0.00 O ATOM 0 H SER A 57 1.319 -2.990 9.183 1.00 0.00 H new ATOM 0 HA SER A 57 1.981 -5.764 9.204 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.027 -5.387 11.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.960 -4.211 10.810 1.00 0.00 H new ATOM 0 HG SER A 57 0.497 -3.229 10.875 1.00 0.00 H new ATOM 969 N LEU A 58 -1.061 -5.030 10.224 1.00 0.00 N ATOM 970 CA LEU A 58 -2.369 -5.669 10.551 1.00 0.00 C ATOM 971 C LEU A 58 -3.054 -6.159 9.273 1.00 0.00 C ATOM 972 O LEU A 58 -4.059 -6.839 9.322 1.00 0.00 O ATOM 973 CB LEU A 58 -3.271 -4.652 11.253 1.00 0.00 C ATOM 974 CG LEU A 58 -4.448 -5.379 11.909 1.00 0.00 C ATOM 975 CD1 LEU A 58 -3.997 -5.984 13.239 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.585 -4.386 12.160 1.00 0.00 C ATOM 0 H LEU A 58 -1.074 -4.011 10.179 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.192 -6.521 11.207 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.703 -4.105 12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.638 -3.919 10.535 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.798 -6.173 11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.835 -6.502 13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.187 -6.692 13.061 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.647 -5.191 13.899 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.423 -4.903 12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.235 -3.592 12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.907 -3.955 11.212 1.00 0.00 H new ATOM 988 N HIS A 59 -2.525 -5.823 8.128 1.00 0.00 N ATOM 989 CA HIS A 59 -3.161 -6.279 6.858 1.00 0.00 C ATOM 990 C HIS A 59 -2.698 -7.702 6.537 1.00 0.00 C ATOM 991 O HIS A 59 -1.559 -7.929 6.180 1.00 0.00 O ATOM 992 CB HIS A 59 -2.759 -5.347 5.713 1.00 0.00 C ATOM 993 CG HIS A 59 -3.691 -4.164 5.662 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.003 -4.225 6.109 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.508 -2.877 5.220 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.552 -3.011 5.926 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.683 -2.151 5.387 1.00 0.00 N ATOM 0 H HIS A 59 -1.685 -5.256 8.016 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.245 -6.263 6.975 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.733 -5.007 5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.790 -5.886 4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.590 -2.487 4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.571 -2.762 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.846 -1.173 5.149 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.573 -8.660 6.661 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.186 -10.067 6.363 1.00 0.00 C ATOM 1007 C LYS A 60 -3.151 -10.277 4.847 1.00 0.00 C ATOM 1008 O LYS A 60 -2.565 -11.223 4.358 1.00 0.00 O ATOM 1009 CB LYS A 60 -4.205 -11.019 6.990 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.560 -11.754 8.167 1.00 0.00 C ATOM 1011 CD LYS A 60 -4.650 -12.250 9.118 1.00 0.00 C ATOM 1012 CE LYS A 60 -4.512 -13.760 9.311 1.00 0.00 C ATOM 1013 NZ LYS A 60 -5.352 -14.467 8.303 1.00 0.00 N ATOM 0 H LYS A 60 -4.541 -8.529 6.956 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.199 -10.269 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.078 -10.462 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.554 -11.736 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.969 -12.595 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.877 -11.088 8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.568 -11.741 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.634 -12.013 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.469 -14.057 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.821 -14.039 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.259 -15.495 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.347 -14.191 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.037 -14.209 7.346 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.769 -9.406 4.097 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.759 -9.568 2.616 1.00 0.00 C ATOM 1029 C TYR A 61 -2.430 -9.049 2.062 1.00 0.00 C ATOM 1030 O TYR A 61 -2.036 -9.376 0.959 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.928 -8.793 2.000 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.719 -7.310 2.187 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.814 -6.622 1.372 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.439 -6.622 3.172 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.627 -5.245 1.542 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.253 -5.245 3.341 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.346 -4.556 2.526 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.164 -3.199 2.693 1.00 0.00 O ATOM 0 H TYR A 61 -4.278 -8.593 4.444 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.868 -10.622 2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.011 -9.026 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.864 -9.099 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.260 -7.153 0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.138 -7.154 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.928 -4.714 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.809 -4.714 4.100 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.454 -2.888 2.094 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.723 -8.260 2.827 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.408 -7.741 2.354 1.00 0.00 C ATOM 1050 C PHE A 62 0.654 -8.812 2.613 1.00 0.00 C ATOM 1051 O PHE A 62 0.891 -9.194 3.741 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.046 -6.472 3.132 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.510 -5.250 2.374 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.252 -5.136 1.003 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.195 -4.227 3.043 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.677 -4.002 0.303 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.622 -3.092 2.340 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.363 -2.980 0.971 1.00 0.00 C ATOM 0 H PHE A 62 -2.000 -7.953 3.759 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.459 -7.506 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.509 -6.496 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.032 -6.426 3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.275 -5.924 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.394 -4.313 4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.476 -3.914 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.151 -2.304 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.692 -2.106 0.429 1.00 0.00 H new ATOM 1068 N VAL A 63 1.287 -9.318 1.588 1.00 0.00 N ATOM 1069 CA VAL A 63 2.312 -10.375 1.816 1.00 0.00 C ATOM 1070 C VAL A 63 3.688 -9.896 1.352 1.00 0.00 C ATOM 1071 O VAL A 63 3.837 -9.326 0.289 1.00 0.00 O ATOM 1072 CB VAL A 63 1.926 -11.635 1.039 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.057 -12.661 1.140 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.648 -12.229 1.633 1.00 0.00 C ATOM 0 H VAL A 63 1.141 -9.049 0.615 1.00 0.00 H new ATOM 0 HA VAL A 63 2.357 -10.595 2.883 1.00 0.00 H new ATOM 0 HB VAL A 63 1.757 -11.379 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.784 -13.560 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.970 -12.239 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.225 -12.916 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.373 -13.127 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.818 -12.485 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.159 -11.499 1.565 1.00 0.00 H new ATOM 1084 N ARG A 64 4.699 -10.140 2.141 1.00 0.00 N ATOM 1085 CA ARG A 64 6.076 -9.722 1.755 1.00 0.00 C ATOM 1086 C ARG A 64 6.883 -10.972 1.402 1.00 0.00 C ATOM 1087 O ARG A 64 7.296 -11.720 2.266 1.00 0.00 O ATOM 1088 CB ARG A 64 6.738 -8.996 2.929 1.00 0.00 C ATOM 1089 CG ARG A 64 8.212 -8.741 2.607 1.00 0.00 C ATOM 1090 CD ARG A 64 8.791 -7.754 3.621 1.00 0.00 C ATOM 1091 NE ARG A 64 9.480 -6.647 2.899 1.00 0.00 N ATOM 1092 CZ ARG A 64 10.760 -6.456 3.066 1.00 0.00 C ATOM 1093 NH1 ARG A 64 11.542 -7.467 3.328 1.00 0.00 N ATOM 1094 NH2 ARG A 64 11.259 -5.254 2.968 1.00 0.00 N ATOM 0 H ARG A 64 4.629 -10.614 3.042 1.00 0.00 H new ATOM 0 HA ARG A 64 6.037 -9.050 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.228 -8.052 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.651 -9.595 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.769 -9.677 2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.311 -8.342 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.996 -7.353 4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.492 -8.264 4.281 1.00 0.00 H new ATOM 0 HE ARG A 64 8.951 -6.039 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.153 -8.407 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.543 -7.317 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.648 -4.464 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.260 -5.105 3.099 1.00 0.00 H new ATOM 1108 N VAL A 65 7.095 -11.218 0.138 1.00 0.00 N ATOM 1109 CA VAL A 65 7.854 -12.431 -0.263 1.00 0.00 C ATOM 1110 C VAL A 65 9.356 -12.148 -0.256 1.00 0.00 C ATOM 1111 O VAL A 65 9.896 -11.583 -1.186 1.00 0.00 O ATOM 1112 CB VAL A 65 7.423 -12.859 -1.667 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.100 -14.183 -2.025 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.905 -13.038 -1.701 1.00 0.00 C ATOM 0 H VAL A 65 6.775 -10.631 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 65 7.644 -13.229 0.449 1.00 0.00 H new ATOM 0 HB VAL A 65 7.715 -12.094 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.794 -14.489 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.182 -14.057 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.807 -14.948 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.597 -13.343 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.613 -13.803 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.422 -12.095 -1.444 1.00 0.00 H new ATOM 1124 N GLU A 66 10.038 -12.549 0.782 1.00 0.00 N ATOM 1125 CA GLU A 66 11.504 -12.321 0.847 1.00 0.00 C ATOM 1126 C GLU A 66 12.217 -13.433 0.077 1.00 0.00 C ATOM 1127 O GLU A 66 12.466 -14.501 0.600 1.00 0.00 O ATOM 1128 CB GLU A 66 11.961 -12.332 2.308 1.00 0.00 C ATOM 1129 CG GLU A 66 13.453 -12.000 2.378 1.00 0.00 C ATOM 1130 CD GLU A 66 14.137 -12.937 3.375 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.461 -13.408 4.275 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.325 -13.167 3.222 1.00 0.00 O ATOM 0 H GLU A 66 9.638 -13.027 1.590 1.00 0.00 H new ATOM 0 HA GLU A 66 11.746 -11.355 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.388 -11.606 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.774 -13.310 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.907 -12.106 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.592 -10.963 2.683 1.00 0.00 H new ATOM 1139 N ASN A 67 12.539 -13.198 -1.165 1.00 0.00 N ATOM 1140 CA ASN A 67 13.223 -14.244 -1.964 1.00 0.00 C ATOM 1141 C ASN A 67 14.543 -13.698 -2.506 1.00 0.00 C ATOM 1142 O ASN A 67 15.058 -12.704 -2.033 1.00 0.00 O ATOM 1143 CB ASN A 67 12.326 -14.663 -3.131 1.00 0.00 C ATOM 1144 CG ASN A 67 12.134 -16.180 -3.110 1.00 0.00 C ATOM 1145 OD1 ASN A 67 13.093 -16.925 -3.078 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.926 -16.672 -3.129 1.00 0.00 N ATOM 0 H ASN A 67 12.356 -12.324 -1.659 1.00 0.00 H new ATOM 0 HA ASN A 67 13.424 -15.108 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.360 -14.163 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.774 -14.356 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.787 -17.682 -3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.121 -16.046 -3.156 1.00 0.00 H new ATOM 1153 N VAL A 68 15.095 -14.340 -3.499 1.00 0.00 N ATOM 1154 CA VAL A 68 16.378 -13.860 -4.075 1.00 0.00 C ATOM 1155 C VAL A 68 16.117 -12.597 -4.894 1.00 0.00 C ATOM 1156 O VAL A 68 16.969 -11.741 -5.029 1.00 0.00 O ATOM 1157 CB VAL A 68 16.969 -14.945 -4.978 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.414 -14.586 -5.327 1.00 0.00 C ATOM 1159 CG2 VAL A 68 16.943 -16.289 -4.246 1.00 0.00 C ATOM 0 H VAL A 68 14.710 -15.178 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 68 17.082 -13.637 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 68 16.380 -15.016 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.836 -15.358 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.435 -13.629 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.002 -14.515 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.364 -17.062 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.532 -16.217 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.914 -16.547 -3.995 1.00 0.00 H new ATOM 1169 N LYS A 69 14.940 -12.478 -5.444 1.00 0.00 N ATOM 1170 CA LYS A 69 14.607 -11.280 -6.257 1.00 0.00 C ATOM 1171 C LYS A 69 14.444 -10.066 -5.339 1.00 0.00 C ATOM 1172 O LYS A 69 14.402 -8.938 -5.789 1.00 0.00 O ATOM 1173 CB LYS A 69 13.300 -11.531 -7.010 1.00 0.00 C ATOM 1174 CG LYS A 69 13.510 -12.645 -8.036 1.00 0.00 C ATOM 1175 CD LYS A 69 12.873 -13.938 -7.524 1.00 0.00 C ATOM 1176 CE LYS A 69 11.570 -14.198 -8.282 1.00 0.00 C ATOM 1177 NZ LYS A 69 11.376 -15.666 -8.444 1.00 0.00 N ATOM 0 H LYS A 69 14.191 -13.166 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 69 15.409 -11.087 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.512 -11.810 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.974 -10.618 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.067 -12.362 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.575 -12.796 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.559 -14.774 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.675 -13.860 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.729 -13.767 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.602 -13.714 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.490 -15.844 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.174 -16.065 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.328 -16.115 -7.507 1.00 0.00 H new ATOM 1191 N GLY A 70 14.353 -10.287 -4.057 1.00 0.00 N ATOM 1192 CA GLY A 70 14.195 -9.152 -3.115 1.00 0.00 C ATOM 1193 C GLY A 70 12.783 -9.165 -2.527 1.00 0.00 C ATOM 1194 O GLY A 70 11.820 -9.472 -3.202 1.00 0.00 O ATOM 0 H GLY A 70 14.382 -11.210 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.933 -9.224 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.376 -8.210 -3.632 1.00 0.00 H new ATOM 1198 N ALA A 71 12.651 -8.832 -1.272 1.00 0.00 N ATOM 1199 CA ALA A 71 11.305 -8.825 -0.638 1.00 0.00 C ATOM 1200 C ALA A 71 10.381 -7.873 -1.397 1.00 0.00 C ATOM 1201 O ALA A 71 10.702 -6.721 -1.610 1.00 0.00 O ATOM 1202 CB ALA A 71 11.428 -8.364 0.816 1.00 0.00 C ATOM 0 H ALA A 71 13.420 -8.564 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 71 10.888 -9.832 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.442 -8.359 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.082 -9.046 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.848 -7.359 0.845 1.00 0.00 H new ATOM 1208 N VAL A 72 9.234 -8.344 -1.801 1.00 0.00 N ATOM 1209 CA VAL A 72 8.290 -7.461 -2.541 1.00 0.00 C ATOM 1210 C VAL A 72 6.962 -7.387 -1.786 1.00 0.00 C ATOM 1211 O VAL A 72 6.555 -8.326 -1.132 1.00 0.00 O ATOM 1212 CB VAL A 72 8.042 -8.024 -3.940 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.330 -7.944 -4.761 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.600 -9.484 -3.832 1.00 0.00 C ATOM 0 H VAL A 72 8.910 -9.300 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 72 8.723 -6.464 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 72 7.262 -7.442 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.151 -8.346 -5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.647 -6.904 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.111 -8.525 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.423 -9.885 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.380 -10.065 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.681 -9.544 -3.249 1.00 0.00 H new ATOM 1224 N TRP A 73 6.285 -6.277 -1.876 1.00 0.00 N ATOM 1225 CA TRP A 73 4.986 -6.142 -1.168 1.00 0.00 C ATOM 1226 C TRP A 73 3.846 -6.494 -2.122 1.00 0.00 C ATOM 1227 O TRP A 73 3.749 -5.957 -3.205 1.00 0.00 O ATOM 1228 CB TRP A 73 4.798 -4.709 -0.660 1.00 0.00 C ATOM 1229 CG TRP A 73 5.652 -4.489 0.545 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.730 -3.675 0.595 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.516 -5.073 1.873 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.266 -3.721 1.870 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.553 -4.569 2.693 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.604 -5.980 2.438 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.679 -4.952 4.029 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.727 -6.369 3.781 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.763 -5.856 4.574 1.00 0.00 C ATOM 0 H TRP A 73 6.577 -5.458 -2.410 1.00 0.00 H new ATOM 0 HA TRP A 73 4.980 -6.822 -0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.064 -3.997 -1.442 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.751 -4.534 -0.413 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.111 -3.085 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.087 -3.193 2.165 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.803 -6.381 1.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.478 -4.553 4.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.020 -7.067 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.853 -6.159 5.607 1.00 0.00 H new ATOM 1248 N THR A 74 2.981 -7.394 -1.740 1.00 0.00 N ATOM 1249 CA THR A 74 1.872 -7.764 -2.645 1.00 0.00 C ATOM 1250 C THR A 74 0.557 -7.864 -1.874 1.00 0.00 C ATOM 1251 O THR A 74 0.535 -7.911 -0.659 1.00 0.00 O ATOM 1252 CB THR A 74 2.188 -9.104 -3.302 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.033 -9.589 -3.971 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.625 -10.109 -2.236 1.00 0.00 C ATOM 0 H THR A 74 2.999 -7.883 -0.845 1.00 0.00 H new ATOM 0 HA THR A 74 1.765 -6.993 -3.408 1.00 0.00 H new ATOM 0 HB THR A 74 2.995 -8.972 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.714 -8.913 -4.604 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.850 -11.065 -2.708 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.515 -9.737 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.822 -10.242 -1.511 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.542 -7.895 -2.578 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.865 -7.991 -1.904 1.00 0.00 C ATOM 1264 C VAL A 75 -2.589 -9.254 -2.381 1.00 0.00 C ATOM 1265 O VAL A 75 -2.828 -9.435 -3.559 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.705 -6.760 -2.258 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.163 -7.000 -1.861 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.166 -5.544 -1.503 1.00 0.00 C ATOM 0 H VAL A 75 -0.579 -7.858 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.722 -8.038 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.648 -6.580 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.758 -6.123 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.548 -7.867 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.223 -7.182 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.762 -4.667 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.223 -5.727 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.128 -5.370 -1.787 1.00 0.00 H new ATOM 1278 N ASP A 76 -2.945 -10.126 -1.477 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.659 -11.370 -1.885 1.00 0.00 C ATOM 1280 C ASP A 76 -5.084 -11.008 -2.311 1.00 0.00 C ATOM 1281 O ASP A 76 -5.713 -10.153 -1.724 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.710 -12.344 -0.705 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.352 -13.036 -0.554 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.412 -12.369 -0.155 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.279 -14.220 -0.838 1.00 0.00 O ATOM 0 H ASP A 76 -2.773 -10.031 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.133 -11.841 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.961 -11.809 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.492 -13.086 -0.866 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.594 -11.638 -3.332 1.00 0.00 N ATOM 1291 CA GLU A 77 -6.975 -11.311 -3.791 1.00 0.00 C ATOM 1292 C GLU A 77 -8.002 -11.826 -2.779 1.00 0.00 C ATOM 1293 O GLU A 77 -8.757 -11.065 -2.210 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.227 -11.960 -5.152 1.00 0.00 C ATOM 1295 CG GLU A 77 -6.359 -11.282 -6.214 1.00 0.00 C ATOM 1296 CD GLU A 77 -7.255 -10.653 -7.284 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -7.891 -9.656 -6.985 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -7.291 -11.182 -8.383 1.00 0.00 O ATOM 0 H GLU A 77 -5.117 -12.363 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.075 -10.229 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.998 -13.025 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.280 -11.872 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.734 -10.517 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.688 -12.011 -6.669 1.00 0.00 H new ATOM 1305 N VAL A 78 -8.039 -13.110 -2.549 1.00 0.00 N ATOM 1306 CA VAL A 78 -9.021 -13.655 -1.575 1.00 0.00 C ATOM 1307 C VAL A 78 -8.806 -12.981 -0.225 1.00 0.00 C ATOM 1308 O VAL A 78 -9.705 -12.398 0.349 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.810 -15.161 -1.423 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -9.995 -15.770 -0.672 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -8.697 -15.802 -2.808 1.00 0.00 C ATOM 0 H VAL A 78 -7.434 -13.801 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.034 -13.465 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.894 -15.345 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.844 -16.844 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.074 -15.313 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.913 -15.587 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.546 -16.876 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.613 -15.618 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.851 -15.369 -3.342 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.611 -13.060 0.283 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.313 -12.432 1.599 1.00 0.00 C ATOM 1323 C GLU A 79 -7.693 -10.949 1.561 1.00 0.00 C ATOM 1324 O GLU A 79 -8.214 -10.410 2.519 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.819 -12.570 1.904 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.612 -12.634 3.419 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.079 -13.995 3.942 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.409 -14.840 3.127 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.097 -14.168 5.150 1.00 0.00 O ATOM 0 H GLU A 79 -6.823 -13.535 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.891 -12.932 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.422 -13.470 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.272 -11.725 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.560 -12.482 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.169 -11.834 3.907 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.440 -10.281 0.467 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.789 -8.836 0.382 1.00 0.00 C ATOM 1338 C PHE A 80 -9.309 -8.681 0.296 1.00 0.00 C ATOM 1339 O PHE A 80 -9.885 -7.787 0.884 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.143 -8.223 -0.861 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.580 -6.784 -1.004 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.751 -6.475 -1.706 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.814 -5.759 -0.437 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.156 -5.142 -1.841 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.219 -4.426 -0.570 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.390 -4.117 -1.272 1.00 0.00 C ATOM 0 H PHE A 80 -7.008 -10.674 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.421 -8.323 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.057 -8.277 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.428 -8.790 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.342 -7.266 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.910 -5.997 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.059 -4.904 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.628 -3.636 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.703 -3.088 -1.375 1.00 0.00 H new ATOM 1356 N GLN A 81 -9.961 -9.544 -0.434 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.442 -9.444 -0.558 1.00 0.00 C ATOM 1358 C GLN A 81 -12.101 -10.018 0.697 1.00 0.00 C ATOM 1359 O GLN A 81 -12.991 -9.421 1.269 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.905 -10.233 -1.784 1.00 0.00 C ATOM 1361 CG GLN A 81 -11.596 -9.433 -3.050 1.00 0.00 C ATOM 1362 CD GLN A 81 -12.413 -9.987 -4.219 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.201 -10.896 -4.047 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.259 -9.473 -5.408 1.00 0.00 N ATOM 0 H GLN A 81 -9.532 -10.313 -0.949 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.727 -8.398 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.402 -11.199 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.975 -10.433 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.833 -8.380 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.532 -9.490 -3.278 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.598 -8.710 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.800 -9.834 -6.194 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.674 -11.171 1.133 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.282 -11.774 2.351 1.00 0.00 C ATOM 1375 C LYS A 82 -12.427 -10.699 3.429 1.00 0.00 C ATOM 1376 O LYS A 82 -13.520 -10.319 3.798 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.384 -12.899 2.872 1.00 0.00 C ATOM 1378 CG LYS A 82 -12.219 -14.167 3.067 1.00 0.00 C ATOM 1379 CD LYS A 82 -11.811 -15.211 2.027 1.00 0.00 C ATOM 1380 CE LYS A 82 -12.732 -16.428 2.137 1.00 0.00 C ATOM 1381 NZ LYS A 82 -14.001 -16.159 1.403 1.00 0.00 N ATOM 0 H LYS A 82 -10.932 -11.720 0.699 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.263 -12.180 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.574 -13.088 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.924 -12.605 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.071 -14.562 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.280 -13.936 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.872 -14.785 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.775 -15.510 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.240 -17.308 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.944 -16.644 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.773 -16.707 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.225 -15.145 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.892 -16.437 0.407 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.331 -10.204 3.937 1.00 0.00 N ATOM 1396 CA ARG A 83 -11.406 -9.152 4.987 1.00 0.00 C ATOM 1397 C ARG A 83 -12.267 -7.992 4.484 1.00 0.00 C ATOM 1398 O ARG A 83 -12.998 -7.377 5.235 1.00 0.00 O ATOM 1399 CB ARG A 83 -9.998 -8.645 5.302 1.00 0.00 C ATOM 1400 CG ARG A 83 -9.140 -9.805 5.811 1.00 0.00 C ATOM 1401 CD ARG A 83 -8.974 -9.688 7.328 1.00 0.00 C ATOM 1402 NE ARG A 83 -9.906 -10.633 8.004 1.00 0.00 N ATOM 1403 CZ ARG A 83 -9.434 -11.609 8.729 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -8.953 -11.368 9.917 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -9.442 -12.829 8.264 1.00 0.00 N ATOM 0 H ARG A 83 -10.387 -10.484 3.669 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.851 -9.570 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.548 -8.210 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.044 -7.856 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.608 -10.756 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.164 -9.790 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.945 -9.911 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.178 -8.667 7.649 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.914 -10.517 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.946 -10.415 10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.584 -12.133 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.817 -13.018 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.073 -13.593 8.830 1.00 0.00 H new ATOM 1419 N ARG A 84 -12.184 -7.686 3.218 1.00 0.00 N ATOM 1420 CA ARG A 84 -12.993 -6.565 2.667 1.00 0.00 C ATOM 1421 C ARG A 84 -14.484 -6.913 2.772 1.00 0.00 C ATOM 1422 O ARG A 84 -14.911 -7.936 2.273 1.00 0.00 O ATOM 1423 CB ARG A 84 -12.625 -6.349 1.197 1.00 0.00 C ATOM 1424 CG ARG A 84 -11.595 -5.225 1.089 1.00 0.00 C ATOM 1425 CD ARG A 84 -12.277 -3.952 0.581 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.119 -3.860 -0.897 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.166 -3.673 -1.655 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -14.158 -2.943 -1.226 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -13.219 -4.214 -2.842 1.00 0.00 N ATOM 0 H ARG A 84 -11.590 -8.165 2.542 1.00 0.00 H new ATOM 0 HA ARG A 84 -12.790 -5.656 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.221 -7.269 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.516 -6.097 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.138 -5.042 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.794 -5.516 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.335 -3.963 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.839 -3.076 1.060 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.193 -3.943 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.116 -2.519 -0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.976 -2.796 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.442 -4.783 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.037 -4.067 -3.433 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.236 -6.053 3.417 1.00 0.00 N ATOM 1444 CA PRO A 85 -16.684 -6.250 3.597 1.00 0.00 C ATOM 1445 C PRO A 85 -17.439 -5.872 2.318 1.00 0.00 C ATOM 1446 O PRO A 85 -18.398 -6.514 1.938 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.036 -5.295 4.739 1.00 0.00 C ATOM 1448 CG PRO A 85 -15.929 -4.213 4.759 1.00 0.00 C ATOM 1449 CD PRO A 85 -14.715 -4.813 4.025 1.00 0.00 C ATOM 0 HA PRO A 85 -16.952 -7.284 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.016 -4.845 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.078 -5.826 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.269 -3.302 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -15.669 -3.944 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.330 -4.130 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -13.896 -5.021 4.714 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.016 -4.830 1.655 1.00 0.00 N ATOM 1458 CA GLN A 86 -17.709 -4.407 0.405 1.00 0.00 C ATOM 1459 C GLN A 86 -17.974 -5.630 -0.475 1.00 0.00 C ATOM 1460 O GLN A 86 -17.140 -6.506 -0.607 1.00 0.00 O ATOM 1461 CB GLN A 86 -16.827 -3.414 -0.354 1.00 0.00 C ATOM 1462 CG GLN A 86 -17.672 -2.219 -0.799 1.00 0.00 C ATOM 1463 CD GLN A 86 -16.809 -1.260 -1.620 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -16.436 -0.203 -1.150 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -16.471 -1.586 -2.839 1.00 0.00 N ATOM 0 H GLN A 86 -16.220 -4.253 1.925 1.00 0.00 H new ATOM 0 HA GLN A 86 -18.657 -3.933 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -16.009 -3.078 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -16.378 -3.899 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -18.520 -2.561 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -18.079 -1.704 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -16.783 -2.473 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.895 -0.954 -3.395 1.00 0.00 H new ATOM 1474 N LYS A 87 -19.128 -5.698 -1.079 1.00 0.00 N ATOM 1475 CA LYS A 87 -19.450 -6.860 -1.951 1.00 0.00 C ATOM 1476 C LYS A 87 -18.387 -6.986 -3.045 1.00 0.00 C ATOM 1477 O LYS A 87 -17.588 -7.904 -2.965 1.00 0.00 O ATOM 1478 CB LYS A 87 -20.822 -6.651 -2.594 1.00 0.00 C ATOM 1479 CG LYS A 87 -21.557 -7.989 -2.678 1.00 0.00 C ATOM 1480 CD LYS A 87 -22.038 -8.220 -4.112 1.00 0.00 C ATOM 1481 CE LYS A 87 -23.511 -8.629 -4.096 1.00 0.00 C ATOM 1482 NZ LYS A 87 -24.139 -8.276 -5.401 1.00 0.00 N ATOM 1483 OXT LYS A 87 -18.391 -6.160 -3.943 1.00 0.00 O ATOM 0 H LYS A 87 -19.864 -4.996 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.465 -7.771 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -21.405 -5.940 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -20.707 -6.224 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -20.896 -8.799 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -22.405 -7.993 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -21.908 -7.312 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -21.439 -8.997 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -23.600 -9.700 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -24.031 -8.124 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -25.141 -8.554 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -24.066 -7.250 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -23.649 -8.777 -6.169 1.00 0.00 H new TER 1497 LYS A 87