USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 79 GLN : amide:sc= -2.44! C(o=-3.1!,f=-7.3!) USER MOD Set 1.2: A 83 THR OG1 : rot -142:sc= -0.684 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.16! C(o=-2.2!,f=-15!) USER MOD Single : A 17 SER OG : rot -172:sc= -1.62! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.7) USER MOD Single : A 40 GLN : amide:sc= -0.395 K(o=-0.4,f=-2.7!) USER MOD Single : A 44 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.0089) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= -0.0523 (180deg=-0.816) USER MOD Single : A 49 MET CE :methyl -175:sc= -1.14 (180deg=-1.18) USER MOD Single : A 54 GLN : amide:sc= -4.18! K(o=-4.2!,f=-1.8) USER MOD Single : A 56 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.63) USER MOD Single : A 59 TYR OH : rot 165:sc= -0.536 USER MOD Single : A 60 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.049) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.73 X(o=-2.7,f=-2.9!) USER MOD Single : A 73 THR OG1 : rot -52:sc= 0.39 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0211 (180deg=-0.191) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.52! USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 11.325 -2.711 17.982 1.00 0.00 N ATOM 2 CA TYR A 8 10.412 -3.415 17.038 1.00 0.00 C ATOM 3 C TYR A 8 11.089 -3.523 15.669 1.00 0.00 C ATOM 4 O TYR A 8 11.020 -2.620 14.861 1.00 0.00 O ATOM 5 CB TYR A 8 9.109 -2.619 16.912 1.00 0.00 C ATOM 6 CG TYR A 8 8.334 -3.093 15.706 1.00 0.00 C ATOM 7 CD1 TYR A 8 7.472 -4.190 15.814 1.00 0.00 C ATOM 8 CD2 TYR A 8 8.476 -2.432 14.480 1.00 0.00 C ATOM 9 CE1 TYR A 8 6.754 -4.629 14.696 1.00 0.00 C ATOM 10 CE2 TYR A 8 7.757 -2.871 13.362 1.00 0.00 C ATOM 11 CZ TYR A 8 6.896 -3.969 13.470 1.00 0.00 C ATOM 12 OH TYR A 8 6.188 -4.402 12.366 1.00 0.00 O ATOM 0 HA TYR A 8 10.190 -4.415 17.410 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.508 -2.742 17.813 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.329 -1.556 16.819 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.361 -4.698 16.761 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.140 -1.584 14.397 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.090 -5.477 14.779 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.867 -2.362 12.416 1.00 0.00 H new ATOM 0 HH TYR A 8 6.401 -3.833 11.597 1.00 0.00 H new ATOM 22 N VAL A 9 11.747 -4.619 15.404 1.00 0.00 N ATOM 23 CA VAL A 9 12.428 -4.771 14.086 1.00 0.00 C ATOM 24 C VAL A 9 11.699 -5.809 13.240 1.00 0.00 C ATOM 25 O VAL A 9 12.280 -6.458 12.391 1.00 0.00 O ATOM 26 CB VAL A 9 13.878 -5.211 14.302 1.00 0.00 C ATOM 27 CG1 VAL A 9 14.585 -4.205 15.210 1.00 0.00 C ATOM 28 CG2 VAL A 9 13.897 -6.593 14.961 1.00 0.00 C ATOM 0 H VAL A 9 11.842 -5.412 16.039 1.00 0.00 H new ATOM 0 HA VAL A 9 12.414 -3.813 13.566 1.00 0.00 H new ATOM 0 HB VAL A 9 14.392 -5.258 13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.618 -4.517 15.365 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.570 -3.220 14.743 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.072 -4.159 16.171 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.929 -6.908 15.116 1.00 0.00 H new ATOM 0 HG22 VAL A 9 13.384 -6.545 15.922 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.391 -7.311 14.315 1.00 0.00 H new ATOM 38 N ALA A 10 10.430 -5.963 13.456 1.00 0.00 N ATOM 39 CA ALA A 10 9.655 -6.949 12.652 1.00 0.00 C ATOM 40 C ALA A 10 8.272 -7.156 13.275 1.00 0.00 C ATOM 41 O ALA A 10 8.120 -7.091 14.478 1.00 0.00 O ATOM 42 CB ALA A 10 10.400 -8.283 12.616 1.00 0.00 C ATOM 0 H ALA A 10 9.891 -5.451 14.154 1.00 0.00 H new ATOM 0 HA ALA A 10 9.540 -6.568 11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.830 -9.002 12.027 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.381 -8.140 12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.520 -8.660 13.632 1.00 0.00 H new ATOM 48 N PRO A 11 7.305 -7.407 12.430 1.00 0.00 N ATOM 49 CA PRO A 11 5.916 -7.637 12.858 1.00 0.00 C ATOM 50 C PRO A 11 5.737 -9.082 13.332 1.00 0.00 C ATOM 51 O PRO A 11 6.688 -9.829 13.453 1.00 0.00 O ATOM 52 CB PRO A 11 5.105 -7.390 11.582 1.00 0.00 C ATOM 53 CG PRO A 11 6.081 -7.602 10.399 1.00 0.00 C ATOM 54 CD PRO A 11 7.506 -7.478 10.970 1.00 0.00 C ATOM 0 HA PRO A 11 5.613 -6.999 13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.262 -8.077 11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.695 -6.380 11.571 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.931 -8.581 9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.911 -6.859 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.122 -8.334 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.010 -6.588 10.593 1.00 0.00 H new ATOM 62 N THR A 12 4.524 -9.480 13.596 1.00 0.00 N ATOM 63 CA THR A 12 4.281 -10.876 14.056 1.00 0.00 C ATOM 64 C THR A 12 3.437 -11.621 13.013 1.00 0.00 C ATOM 65 O THR A 12 3.540 -12.823 12.865 1.00 0.00 O ATOM 66 CB THR A 12 3.548 -10.849 15.401 1.00 0.00 C ATOM 67 OG1 THR A 12 3.656 -12.122 16.022 1.00 0.00 O ATOM 68 CG2 THR A 12 2.072 -10.510 15.186 1.00 0.00 C ATOM 0 H THR A 12 3.690 -8.899 13.513 1.00 0.00 H new ATOM 0 HA THR A 12 5.233 -11.392 14.178 1.00 0.00 H new ATOM 0 HB THR A 12 3.999 -10.089 16.039 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.189 -12.106 16.883 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.559 -10.493 16.147 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.989 -9.532 14.713 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.615 -11.263 14.544 1.00 0.00 H new ATOM 76 N ASN A 13 2.616 -10.916 12.280 1.00 0.00 N ATOM 77 CA ASN A 13 1.783 -11.577 11.240 1.00 0.00 C ATOM 78 C ASN A 13 1.728 -10.655 10.027 1.00 0.00 C ATOM 79 O ASN A 13 1.929 -9.463 10.141 1.00 0.00 O ATOM 80 CB ASN A 13 0.368 -11.813 11.778 1.00 0.00 C ATOM 81 CG ASN A 13 -0.115 -10.562 12.515 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.107 -9.457 12.067 1.00 0.00 O ATOM 83 ND2 ASN A 13 -0.773 -10.692 13.633 1.00 0.00 N ATOM 0 H ASN A 13 2.488 -9.907 12.359 1.00 0.00 H new ATOM 0 HA ASN A 13 2.213 -12.540 10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.310 -12.048 10.957 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.362 -12.670 12.452 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.101 -9.864 14.131 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.960 -11.621 14.010 1.00 0.00 H new ATOM 90 N ALA A 14 1.476 -11.181 8.863 1.00 0.00 N ATOM 91 CA ALA A 14 1.437 -10.298 7.669 1.00 0.00 C ATOM 92 C ALA A 14 0.316 -9.272 7.822 1.00 0.00 C ATOM 93 O ALA A 14 0.443 -8.138 7.405 1.00 0.00 O ATOM 94 CB ALA A 14 1.212 -11.120 6.411 1.00 0.00 C ATOM 0 H ALA A 14 1.298 -12.170 8.688 1.00 0.00 H new ATOM 0 HA ALA A 14 2.392 -9.780 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.186 -10.459 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.024 -11.838 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.265 -11.653 6.489 1.00 0.00 H new ATOM 100 N VAL A 15 -0.776 -9.635 8.431 1.00 0.00 N ATOM 101 CA VAL A 15 -1.858 -8.633 8.607 1.00 0.00 C ATOM 102 C VAL A 15 -1.224 -7.382 9.196 1.00 0.00 C ATOM 103 O VAL A 15 -1.391 -6.280 8.694 1.00 0.00 O ATOM 104 CB VAL A 15 -2.926 -9.174 9.542 1.00 0.00 C ATOM 105 CG1 VAL A 15 -4.068 -8.161 9.619 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.440 -10.499 8.979 1.00 0.00 C ATOM 0 H VAL A 15 -0.964 -10.564 8.808 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.335 -8.408 7.653 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.519 -9.337 10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.843 -8.536 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.688 -7.213 10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.488 -8.010 8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.208 -10.901 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.863 -10.334 7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.615 -11.208 8.908 1.00 0.00 H new ATOM 116 N GLU A 16 -0.447 -7.550 10.230 1.00 0.00 N ATOM 117 CA GLU A 16 0.246 -6.383 10.815 1.00 0.00 C ATOM 118 C GLU A 16 1.331 -5.965 9.829 1.00 0.00 C ATOM 119 O GLU A 16 1.683 -4.811 9.734 1.00 0.00 O ATOM 120 CB GLU A 16 0.872 -6.755 12.162 1.00 0.00 C ATOM 121 CG GLU A 16 -0.203 -6.713 13.251 1.00 0.00 C ATOM 122 CD GLU A 16 0.422 -7.062 14.603 1.00 0.00 C ATOM 123 OE1 GLU A 16 0.942 -6.163 15.243 1.00 0.00 O ATOM 124 OE2 GLU A 16 0.366 -8.221 14.977 1.00 0.00 O ATOM 0 H GLU A 16 -0.266 -8.443 10.689 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.455 -5.567 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.312 -7.751 12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.678 -6.063 12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.654 -5.722 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.001 -7.417 13.015 1.00 0.00 H new ATOM 131 N SER A 17 1.859 -6.898 9.072 1.00 0.00 N ATOM 132 CA SER A 17 2.906 -6.523 8.081 1.00 0.00 C ATOM 133 C SER A 17 2.371 -5.385 7.210 1.00 0.00 C ATOM 134 O SER A 17 3.008 -4.359 7.049 1.00 0.00 O ATOM 135 CB SER A 17 3.278 -7.703 7.185 1.00 0.00 C ATOM 136 OG SER A 17 4.040 -8.640 7.938 1.00 0.00 O ATOM 0 H SER A 17 1.612 -7.887 9.099 1.00 0.00 H new ATOM 0 HA SER A 17 3.800 -6.213 8.623 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.377 -8.178 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.852 -7.356 6.326 1.00 0.00 H new ATOM 0 HG SER A 17 4.387 -9.335 7.340 1.00 0.00 H new ATOM 142 N LYS A 18 1.195 -5.545 6.651 1.00 0.00 N ATOM 143 CA LYS A 18 0.643 -4.452 5.805 1.00 0.00 C ATOM 144 C LYS A 18 0.297 -3.266 6.698 1.00 0.00 C ATOM 145 O LYS A 18 0.761 -2.165 6.481 1.00 0.00 O ATOM 146 CB LYS A 18 -0.610 -4.917 5.057 1.00 0.00 C ATOM 147 CG LYS A 18 -1.102 -3.786 4.136 1.00 0.00 C ATOM 148 CD LYS A 18 0.088 -3.135 3.422 1.00 0.00 C ATOM 149 CE LYS A 18 -0.344 -2.661 2.034 1.00 0.00 C ATOM 150 NZ LYS A 18 0.687 -3.050 1.030 1.00 0.00 N ATOM 0 H LYS A 18 0.606 -6.372 6.744 1.00 0.00 H new ATOM 0 HA LYS A 18 1.391 -4.164 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.387 -5.808 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.391 -5.189 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.804 -4.183 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.639 -3.039 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.459 -2.293 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.908 -3.848 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.306 -3.101 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.477 -1.579 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.392 -2.727 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.596 -2.610 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.793 -4.085 1.024 1.00 0.00 H new ATOM 164 N LEU A 19 -0.500 -3.472 7.715 1.00 0.00 N ATOM 165 CA LEU A 19 -0.832 -2.329 8.608 1.00 0.00 C ATOM 166 C LEU A 19 0.470 -1.623 8.977 1.00 0.00 C ATOM 167 O LEU A 19 0.538 -0.416 9.034 1.00 0.00 O ATOM 168 CB LEU A 19 -1.536 -2.836 9.868 1.00 0.00 C ATOM 169 CG LEU A 19 -3.036 -2.557 9.750 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.805 -3.880 9.726 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.495 -1.723 10.946 1.00 0.00 C ATOM 0 H LEU A 19 -0.927 -4.365 7.960 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.503 -1.635 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.361 -3.905 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.130 -2.342 10.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.230 -2.009 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.873 -3.679 9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.480 -4.475 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.611 -4.430 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.563 -1.524 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.299 -2.270 11.868 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.950 -0.779 10.962 1.00 0.00 H new ATOM 183 N ALA A 20 1.516 -2.368 9.195 1.00 0.00 N ATOM 184 CA ALA A 20 2.818 -1.733 9.520 1.00 0.00 C ATOM 185 C ALA A 20 3.192 -0.816 8.357 1.00 0.00 C ATOM 186 O ALA A 20 3.500 0.346 8.537 1.00 0.00 O ATOM 187 CB ALA A 20 3.888 -2.813 9.693 1.00 0.00 C ATOM 0 H ALA A 20 1.524 -3.387 9.162 1.00 0.00 H new ATOM 0 HA ALA A 20 2.746 -1.163 10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.843 -2.344 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.601 -3.484 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.984 -3.382 8.768 1.00 0.00 H new ATOM 193 N GLU A 21 3.146 -1.331 7.154 1.00 0.00 N ATOM 194 CA GLU A 21 3.478 -0.483 5.974 1.00 0.00 C ATOM 195 C GLU A 21 2.492 0.685 5.920 1.00 0.00 C ATOM 196 O GLU A 21 2.872 1.833 6.048 1.00 0.00 O ATOM 197 CB GLU A 21 3.372 -1.311 4.690 1.00 0.00 C ATOM 198 CG GLU A 21 4.712 -1.280 3.952 1.00 0.00 C ATOM 199 CD GLU A 21 4.564 -0.475 2.659 1.00 0.00 C ATOM 200 OE1 GLU A 21 4.105 0.653 2.735 1.00 0.00 O ATOM 201 OE2 GLU A 21 4.911 -1.001 1.614 1.00 0.00 O ATOM 0 H GLU A 21 2.894 -2.296 6.941 1.00 0.00 H new ATOM 0 HA GLU A 21 4.497 -0.107 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.100 -2.339 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.584 -0.913 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.478 -0.833 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.038 -2.295 3.726 1.00 0.00 H new ATOM 208 N ILE A 22 1.224 0.406 5.748 1.00 0.00 N ATOM 209 CA ILE A 22 0.225 1.516 5.708 1.00 0.00 C ATOM 210 C ILE A 22 0.532 2.464 6.864 1.00 0.00 C ATOM 211 O ILE A 22 0.686 3.655 6.686 1.00 0.00 O ATOM 212 CB ILE A 22 -1.215 0.961 5.797 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.086 1.844 6.699 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.220 -0.465 6.308 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.055 3.279 6.167 1.00 0.00 C ATOM 0 H ILE A 22 0.841 -0.532 5.635 1.00 0.00 H new ATOM 0 HA ILE A 22 0.294 2.056 4.763 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.633 0.969 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.110 1.471 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.718 1.814 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.246 -0.829 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.645 -1.096 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.773 -0.497 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.672 3.916 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.029 3.647 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.442 3.298 5.148 1.00 0.00 H new ATOM 227 N TRP A 23 0.636 1.931 8.041 1.00 0.00 N ATOM 228 CA TRP A 23 0.951 2.771 9.225 1.00 0.00 C ATOM 229 C TRP A 23 2.027 3.795 8.860 1.00 0.00 C ATOM 230 O TRP A 23 1.813 4.986 8.923 1.00 0.00 O ATOM 231 CB TRP A 23 1.486 1.878 10.341 1.00 0.00 C ATOM 232 CG TRP A 23 0.401 1.583 11.320 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.733 0.895 11.050 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.330 1.951 12.724 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.493 0.820 12.200 1.00 0.00 N ATOM 236 CE2 TRP A 23 -0.881 1.458 13.260 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.193 2.660 13.572 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.225 1.663 14.597 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.854 2.870 14.917 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.354 2.372 15.430 1.00 0.00 C ATOM 0 H TRP A 23 0.515 0.938 8.238 1.00 0.00 H new ATOM 0 HA TRP A 23 0.048 3.287 9.551 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.872 0.949 9.922 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.318 2.370 10.845 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.000 0.474 10.092 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.397 0.350 12.259 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.125 3.047 13.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.156 1.277 14.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.526 3.418 15.561 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.610 2.536 16.466 1.00 0.00 H new ATOM 251 N GLU A 24 3.192 3.336 8.496 1.00 0.00 N ATOM 252 CA GLU A 24 4.291 4.285 8.151 1.00 0.00 C ATOM 253 C GLU A 24 3.941 5.071 6.881 1.00 0.00 C ATOM 254 O GLU A 24 4.319 6.214 6.723 1.00 0.00 O ATOM 255 CB GLU A 24 5.606 3.504 7.958 1.00 0.00 C ATOM 256 CG GLU A 24 5.804 3.115 6.486 1.00 0.00 C ATOM 257 CD GLU A 24 7.184 2.479 6.306 1.00 0.00 C ATOM 258 OE1 GLU A 24 8.069 2.804 7.080 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.331 1.678 5.397 1.00 0.00 O ATOM 0 H GLU A 24 3.432 2.347 8.422 1.00 0.00 H new ATOM 0 HA GLU A 24 4.417 4.997 8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.447 4.112 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.594 2.607 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.027 2.416 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.712 3.996 5.851 1.00 0.00 H new ATOM 266 N ARG A 25 3.242 4.459 5.971 1.00 0.00 N ATOM 267 CA ARG A 25 2.886 5.158 4.702 1.00 0.00 C ATOM 268 C ARG A 25 2.007 6.381 4.995 1.00 0.00 C ATOM 269 O ARG A 25 2.376 7.503 4.709 1.00 0.00 O ATOM 270 CB ARG A 25 2.144 4.168 3.783 1.00 0.00 C ATOM 271 CG ARG A 25 1.157 4.899 2.857 1.00 0.00 C ATOM 272 CD ARG A 25 1.927 5.716 1.815 1.00 0.00 C ATOM 273 NE ARG A 25 2.117 7.114 2.300 1.00 0.00 N ATOM 274 CZ ARG A 25 1.418 8.084 1.778 1.00 0.00 C ATOM 275 NH1 ARG A 25 1.217 8.124 0.489 1.00 0.00 N ATOM 276 NH2 ARG A 25 0.924 9.018 2.545 1.00 0.00 N ATOM 0 H ARG A 25 2.899 3.501 6.049 1.00 0.00 H new ATOM 0 HA ARG A 25 3.792 5.507 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.866 3.614 3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.606 3.439 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.509 4.177 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.513 5.555 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.896 5.255 1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.383 5.721 0.870 1.00 0.00 H new ATOM 0 HE ARG A 25 2.792 7.311 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.606 7.397 -0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.670 8.883 0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.085 8.989 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.377 9.777 2.137 1.00 0.00 H new ATOM 290 N VAL A 26 0.833 6.169 5.521 1.00 0.00 N ATOM 291 CA VAL A 26 -0.086 7.314 5.783 1.00 0.00 C ATOM 292 C VAL A 26 0.295 8.061 7.064 1.00 0.00 C ATOM 293 O VAL A 26 0.143 9.263 7.148 1.00 0.00 O ATOM 294 CB VAL A 26 -1.513 6.793 5.909 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.482 7.974 5.884 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.812 5.860 4.735 1.00 0.00 C ATOM 0 H VAL A 26 0.469 5.252 5.781 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.006 8.011 4.949 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.628 6.248 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.505 7.608 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.262 8.643 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.372 8.515 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.832 5.484 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.704 6.407 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.114 5.023 4.749 1.00 0.00 H new ATOM 306 N LEU A 27 0.770 7.376 8.064 1.00 0.00 N ATOM 307 CA LEU A 27 1.127 8.084 9.328 1.00 0.00 C ATOM 308 C LEU A 27 2.445 8.842 9.148 1.00 0.00 C ATOM 309 O LEU A 27 2.895 9.544 10.031 1.00 0.00 O ATOM 310 CB LEU A 27 1.248 7.070 10.465 1.00 0.00 C ATOM 311 CG LEU A 27 0.002 6.179 10.474 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.088 5.177 11.627 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.244 7.051 10.647 1.00 0.00 C ATOM 0 H LEU A 27 0.926 6.368 8.065 1.00 0.00 H new ATOM 0 HA LEU A 27 0.345 8.802 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.144 6.463 10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.349 7.586 11.420 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.059 5.635 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.801 4.546 11.628 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.974 4.555 11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.152 5.715 12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.132 6.419 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.179 7.596 11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.309 7.760 9.822 1.00 0.00 H new ATOM 325 N GLY A 28 3.060 8.720 8.004 1.00 0.00 N ATOM 326 CA GLY A 28 4.337 9.450 7.762 1.00 0.00 C ATOM 327 C GLY A 28 5.398 9.004 8.769 1.00 0.00 C ATOM 328 O GLY A 28 5.932 9.800 9.514 1.00 0.00 O ATOM 0 H GLY A 28 2.734 8.146 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.686 9.261 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.172 10.524 7.847 1.00 0.00 H new ATOM 332 N VAL A 29 5.716 7.740 8.790 1.00 0.00 N ATOM 333 CA VAL A 29 6.754 7.249 9.743 1.00 0.00 C ATOM 334 C VAL A 29 7.752 6.379 8.988 1.00 0.00 C ATOM 335 O VAL A 29 7.689 6.245 7.781 1.00 0.00 O ATOM 336 CB VAL A 29 6.117 6.412 10.861 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.717 6.819 12.209 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.605 6.637 10.894 1.00 0.00 C ATOM 0 H VAL A 29 5.304 7.025 8.190 1.00 0.00 H new ATOM 0 HA VAL A 29 7.253 8.110 10.187 1.00 0.00 H new ATOM 0 HB VAL A 29 6.317 5.358 10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.265 6.225 13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.793 6.647 12.195 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.521 7.876 12.390 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.165 6.038 11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.398 7.692 11.076 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.172 6.342 9.938 1.00 0.00 H new ATOM 348 N SER A 30 8.667 5.773 9.688 1.00 0.00 N ATOM 349 CA SER A 30 9.661 4.902 9.011 1.00 0.00 C ATOM 350 C SER A 30 10.105 3.804 9.974 1.00 0.00 C ATOM 351 O SER A 30 11.281 3.567 10.171 1.00 0.00 O ATOM 352 CB SER A 30 10.871 5.731 8.586 1.00 0.00 C ATOM 353 OG SER A 30 11.457 5.144 7.433 1.00 0.00 O ATOM 0 H SER A 30 8.769 5.844 10.700 1.00 0.00 H new ATOM 0 HA SER A 30 9.208 4.453 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.568 6.756 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.599 5.776 9.396 1.00 0.00 H new ATOM 0 HG SER A 30 12.233 5.673 7.155 1.00 0.00 H new ATOM 359 N GLY A 31 9.167 3.135 10.578 1.00 0.00 N ATOM 360 CA GLY A 31 9.508 2.050 11.538 1.00 0.00 C ATOM 361 C GLY A 31 8.243 1.659 12.295 1.00 0.00 C ATOM 362 O GLY A 31 7.658 0.622 12.057 1.00 0.00 O ATOM 0 H GLY A 31 8.168 3.294 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.914 1.188 11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.277 2.387 12.233 1.00 0.00 H new ATOM 366 N ILE A 32 7.804 2.497 13.193 1.00 0.00 N ATOM 367 CA ILE A 32 6.564 2.192 13.956 1.00 0.00 C ATOM 368 C ILE A 32 6.738 0.878 14.724 1.00 0.00 C ATOM 369 O ILE A 32 7.363 -0.052 14.254 1.00 0.00 O ATOM 370 CB ILE A 32 5.397 2.079 12.974 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.185 3.431 12.292 1.00 0.00 C ATOM 372 CG2 ILE A 32 4.126 1.682 13.726 1.00 0.00 C ATOM 373 CD1 ILE A 32 5.021 3.224 10.786 1.00 0.00 C ATOM 0 H ILE A 32 8.253 3.382 13.431 1.00 0.00 H new ATOM 0 HA ILE A 32 6.362 2.988 14.672 1.00 0.00 H new ATOM 0 HB ILE A 32 5.622 1.319 12.226 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.301 3.921 12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.033 4.086 12.489 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.297 1.603 13.023 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.279 0.721 14.217 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.895 2.439 14.475 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.870 4.188 10.301 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.917 2.752 10.384 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.159 2.584 10.598 1.00 0.00 H new ATOM 385 N GLY A 33 6.194 0.796 15.907 1.00 0.00 N ATOM 386 CA GLY A 33 6.333 -0.453 16.708 1.00 0.00 C ATOM 387 C GLY A 33 5.261 -1.461 16.279 1.00 0.00 C ATOM 388 O GLY A 33 4.926 -1.559 15.116 1.00 0.00 O ATOM 0 H GLY A 33 5.659 1.541 16.354 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.326 -0.880 16.565 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.232 -0.229 17.770 1.00 0.00 H new ATOM 392 N ILE A 34 4.727 -2.218 17.202 1.00 0.00 N ATOM 393 CA ILE A 34 3.683 -3.216 16.836 1.00 0.00 C ATOM 394 C ILE A 34 2.457 -3.019 17.729 1.00 0.00 C ATOM 395 O ILE A 34 1.675 -3.924 17.936 1.00 0.00 O ATOM 396 CB ILE A 34 4.248 -4.625 17.032 1.00 0.00 C ATOM 397 CG1 ILE A 34 3.316 -5.653 16.383 1.00 0.00 C ATOM 398 CG2 ILE A 34 4.371 -4.917 18.528 1.00 0.00 C ATOM 399 CD1 ILE A 34 3.780 -7.065 16.746 1.00 0.00 C ATOM 0 H ILE A 34 4.970 -2.187 18.192 1.00 0.00 H new ATOM 0 HA ILE A 34 3.391 -3.083 15.794 1.00 0.00 H new ATOM 0 HB ILE A 34 5.231 -4.689 16.565 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.292 -5.497 16.723 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.315 -5.526 15.300 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.773 -5.920 18.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.040 -4.189 18.987 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.388 -4.851 18.994 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.117 -7.796 16.284 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.797 -7.218 16.384 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.758 -7.188 17.829 1.00 0.00 H new ATOM 411 N LEU A 35 2.269 -1.836 18.240 1.00 0.00 N ATOM 412 CA LEU A 35 1.077 -1.590 19.089 1.00 0.00 C ATOM 413 C LEU A 35 1.074 -0.127 19.558 1.00 0.00 C ATOM 414 O LEU A 35 1.122 0.165 20.737 1.00 0.00 O ATOM 415 CB LEU A 35 1.080 -2.552 20.289 1.00 0.00 C ATOM 416 CG LEU A 35 -0.116 -2.272 21.208 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.319 -3.105 20.762 1.00 0.00 C ATOM 418 CD2 LEU A 35 0.246 -2.658 22.642 1.00 0.00 C ATOM 0 H LEU A 35 2.886 -1.035 18.107 1.00 0.00 H new ATOM 0 HA LEU A 35 0.171 -1.772 18.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.041 -3.583 19.936 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.009 -2.442 20.848 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.365 -1.212 21.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.165 -2.902 21.418 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.583 -2.843 19.737 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.067 -4.164 20.812 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.602 -2.460 23.297 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.495 -3.718 22.681 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.104 -2.071 22.971 1.00 0.00 H new ATOM 430 N ASP A 36 1.013 0.793 18.627 1.00 0.00 N ATOM 431 CA ASP A 36 0.996 2.247 18.980 1.00 0.00 C ATOM 432 C ASP A 36 -0.456 2.717 19.124 1.00 0.00 C ATOM 433 O ASP A 36 -1.357 1.925 19.302 1.00 0.00 O ATOM 434 CB ASP A 36 1.673 3.036 17.856 1.00 0.00 C ATOM 435 CG ASP A 36 2.975 3.658 18.367 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.205 3.608 19.563 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.720 4.173 17.550 1.00 0.00 O ATOM 0 H ASP A 36 0.974 0.596 17.627 1.00 0.00 H new ATOM 0 HA ASP A 36 1.525 2.408 19.919 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.881 2.378 17.012 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.004 3.817 17.494 1.00 0.00 H new ATOM 442 N ASN A 37 -0.696 3.998 19.043 1.00 0.00 N ATOM 443 CA ASN A 37 -2.099 4.495 19.171 1.00 0.00 C ATOM 444 C ASN A 37 -2.451 5.382 17.972 1.00 0.00 C ATOM 445 O ASN A 37 -3.255 6.284 18.075 1.00 0.00 O ATOM 446 CB ASN A 37 -2.251 5.298 20.466 1.00 0.00 C ATOM 447 CG ASN A 37 -3.541 4.877 21.175 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.531 3.984 21.999 1.00 0.00 O ATOM 449 ND2 ASN A 37 -4.659 5.486 20.889 1.00 0.00 N ATOM 0 H ASN A 37 0.011 4.718 18.895 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.776 3.641 19.196 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.393 5.127 21.116 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.276 6.365 20.245 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.523 5.212 21.357 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.669 6.236 20.198 1.00 0.00 H new ATOM 456 N PHE A 38 -1.851 5.111 16.843 1.00 0.00 N ATOM 457 CA PHE A 38 -2.106 5.913 15.593 1.00 0.00 C ATOM 458 C PHE A 38 -1.774 7.393 15.835 1.00 0.00 C ATOM 459 O PHE A 38 -0.966 7.969 15.133 1.00 0.00 O ATOM 460 CB PHE A 38 -3.574 5.766 15.141 1.00 0.00 C ATOM 461 CG PHE A 38 -3.832 4.366 14.609 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.249 3.935 13.410 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.646 3.492 15.329 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.477 2.632 12.948 1.00 0.00 C ATOM 465 CE2 PHE A 38 -4.878 2.195 14.859 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.293 1.762 13.681 1.00 0.00 C ATOM 0 H PHE A 38 -1.179 4.353 16.725 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.461 5.530 14.802 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.240 5.971 15.979 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.798 6.502 14.368 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.624 4.607 12.842 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.099 3.818 16.254 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.023 2.299 12.026 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.517 1.528 15.418 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.466 0.756 13.329 1.00 0.00 H new ATOM 476 N PHE A 39 -2.368 8.018 16.817 1.00 0.00 N ATOM 477 CA PHE A 39 -2.050 9.450 17.078 1.00 0.00 C ATOM 478 C PHE A 39 -0.804 9.552 17.960 1.00 0.00 C ATOM 479 O PHE A 39 -0.604 10.528 18.654 1.00 0.00 O ATOM 480 CB PHE A 39 -3.224 10.143 17.777 1.00 0.00 C ATOM 481 CG PHE A 39 -3.139 11.640 17.538 1.00 0.00 C ATOM 482 CD1 PHE A 39 -1.945 12.212 17.070 1.00 0.00 C ATOM 483 CD2 PHE A 39 -4.252 12.454 17.782 1.00 0.00 C ATOM 484 CE1 PHE A 39 -1.867 13.589 16.849 1.00 0.00 C ATOM 485 CE2 PHE A 39 -4.172 13.835 17.559 1.00 0.00 C ATOM 486 CZ PHE A 39 -2.978 14.402 17.092 1.00 0.00 C ATOM 0 H PHE A 39 -3.055 7.601 17.445 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.866 9.942 16.123 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.169 9.756 17.396 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.201 9.932 18.846 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.085 11.586 16.881 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.172 12.017 18.142 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.947 14.026 16.490 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.030 14.463 17.747 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.916 15.466 16.920 1.00 0.00 H new ATOM 496 N GLN A 40 0.053 8.569 17.916 1.00 0.00 N ATOM 497 CA GLN A 40 1.298 8.636 18.725 1.00 0.00 C ATOM 498 C GLN A 40 2.275 9.513 17.943 1.00 0.00 C ATOM 499 O GLN A 40 3.167 9.025 17.278 1.00 0.00 O ATOM 500 CB GLN A 40 1.883 7.211 18.882 1.00 0.00 C ATOM 501 CG GLN A 40 1.254 6.518 20.097 1.00 0.00 C ATOM 502 CD GLN A 40 1.966 6.973 21.373 1.00 0.00 C ATOM 503 OE1 GLN A 40 1.876 8.123 21.756 1.00 0.00 O ATOM 504 NE2 GLN A 40 2.675 6.114 22.052 1.00 0.00 N ATOM 0 H GLN A 40 -0.057 7.724 17.355 1.00 0.00 H new ATOM 0 HA GLN A 40 1.111 9.043 19.719 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.691 6.629 17.981 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.965 7.264 19.003 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.192 6.758 20.156 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.331 5.436 19.992 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.751 5.149 21.731 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.153 6.408 22.904 1.00 0.00 H new ATOM 513 N ILE A 41 2.074 10.805 17.981 1.00 0.00 N ATOM 514 CA ILE A 41 2.948 11.732 17.207 1.00 0.00 C ATOM 515 C ILE A 41 2.699 11.484 15.717 1.00 0.00 C ATOM 516 O ILE A 41 3.498 10.876 15.033 1.00 0.00 O ATOM 517 CB ILE A 41 4.424 11.493 17.555 1.00 0.00 C ATOM 518 CG1 ILE A 41 4.749 12.216 18.862 1.00 0.00 C ATOM 519 CG2 ILE A 41 5.319 12.046 16.443 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.235 12.045 19.181 1.00 0.00 C ATOM 0 H ILE A 41 1.336 11.259 18.519 1.00 0.00 H new ATOM 0 HA ILE A 41 2.714 12.767 17.457 1.00 0.00 H new ATOM 0 HB ILE A 41 4.601 10.423 17.661 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.504 13.275 18.776 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.143 11.814 19.674 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.365 11.873 16.697 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.086 11.543 15.504 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.145 13.116 16.334 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.469 12.560 20.113 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.465 10.985 19.285 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.832 12.468 18.373 1.00 0.00 H new ATOM 532 N GLY A 42 1.579 11.939 15.218 1.00 0.00 N ATOM 533 CA GLY A 42 1.255 11.720 13.780 1.00 0.00 C ATOM 534 C GLY A 42 0.140 10.679 13.671 1.00 0.00 C ATOM 535 O GLY A 42 0.385 9.490 13.705 1.00 0.00 O ATOM 0 H GLY A 42 0.875 12.454 15.747 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.942 12.656 13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.140 11.380 13.243 1.00 0.00 H new ATOM 539 N GLY A 43 -1.083 11.116 13.543 1.00 0.00 N ATOM 540 CA GLY A 43 -2.210 10.146 13.438 1.00 0.00 C ATOM 541 C GLY A 43 -3.481 10.875 13.000 1.00 0.00 C ATOM 542 O GLY A 43 -4.058 10.571 11.979 1.00 0.00 O ATOM 0 H GLY A 43 -1.350 12.100 13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.963 9.364 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.372 9.658 14.399 1.00 0.00 H new ATOM 546 N HIS A 44 -3.925 11.835 13.766 1.00 0.00 N ATOM 547 CA HIS A 44 -5.163 12.578 13.388 1.00 0.00 C ATOM 548 C HIS A 44 -6.299 11.583 13.136 1.00 0.00 C ATOM 549 O HIS A 44 -6.247 10.448 13.565 1.00 0.00 O ATOM 550 CB HIS A 44 -4.901 13.387 12.117 1.00 0.00 C ATOM 551 CG HIS A 44 -3.699 14.265 12.322 1.00 0.00 C ATOM 552 ND1 HIS A 44 -2.937 14.736 11.264 1.00 0.00 N ATOM 553 CD2 HIS A 44 -3.113 14.763 13.458 1.00 0.00 C ATOM 554 CE1 HIS A 44 -1.945 15.483 11.781 1.00 0.00 C ATOM 555 NE2 HIS A 44 -2.005 15.533 13.115 1.00 0.00 N ATOM 0 H HIS A 44 -3.485 12.137 14.636 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.445 13.252 14.197 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.735 12.716 11.274 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.772 13.995 11.874 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.459 14.585 14.466 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.191 15.982 11.190 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.375 16.028 13.746 1.00 0.00 H new ATOM 563 N SER A 45 -7.326 12.000 12.446 1.00 0.00 N ATOM 564 CA SER A 45 -8.463 11.076 12.171 1.00 0.00 C ATOM 565 C SER A 45 -8.481 10.710 10.685 1.00 0.00 C ATOM 566 O SER A 45 -8.554 9.553 10.322 1.00 0.00 O ATOM 567 CB SER A 45 -9.778 11.764 12.543 1.00 0.00 C ATOM 568 OG SER A 45 -10.045 11.550 13.924 1.00 0.00 O ATOM 0 H SER A 45 -7.427 12.939 12.061 1.00 0.00 H new ATOM 0 HA SER A 45 -8.345 10.169 12.764 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.715 12.832 12.334 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.593 11.368 11.937 1.00 0.00 H new ATOM 0 HG SER A 45 -10.886 11.991 14.167 1.00 0.00 H new ATOM 574 N LEU A 46 -8.414 11.686 9.821 1.00 0.00 N ATOM 575 CA LEU A 46 -8.427 11.392 8.361 1.00 0.00 C ATOM 576 C LEU A 46 -7.271 10.445 8.024 1.00 0.00 C ATOM 577 O LEU A 46 -7.426 9.497 7.277 1.00 0.00 O ATOM 578 CB LEU A 46 -8.272 12.698 7.577 1.00 0.00 C ATOM 579 CG LEU A 46 -9.423 12.830 6.579 1.00 0.00 C ATOM 580 CD1 LEU A 46 -9.468 11.593 5.681 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.747 12.953 7.341 1.00 0.00 C ATOM 0 H LEU A 46 -8.351 12.675 10.064 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.371 10.920 8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.269 13.547 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.317 12.709 7.051 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.270 13.718 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.289 11.689 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.527 11.503 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.620 10.704 6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.568 13.047 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.898 12.065 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.718 13.835 7.981 1.00 0.00 H new ATOM 593 N LYS A 47 -6.114 10.690 8.571 1.00 0.00 N ATOM 594 CA LYS A 47 -4.953 9.804 8.283 1.00 0.00 C ATOM 595 C LYS A 47 -5.264 8.379 8.753 1.00 0.00 C ATOM 596 O LYS A 47 -5.371 7.461 7.958 1.00 0.00 O ATOM 597 CB LYS A 47 -3.725 10.334 9.019 1.00 0.00 C ATOM 598 CG LYS A 47 -2.982 11.316 8.115 1.00 0.00 C ATOM 599 CD LYS A 47 -1.492 10.989 8.137 1.00 0.00 C ATOM 600 CE LYS A 47 -0.795 11.875 9.168 1.00 0.00 C ATOM 601 NZ LYS A 47 -0.824 11.203 10.497 1.00 0.00 N ATOM 0 H LYS A 47 -5.922 11.466 9.205 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.758 9.790 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.025 10.828 9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.069 9.509 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.365 11.253 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.147 12.338 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.342 9.938 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.058 11.150 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.235 12.063 8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.292 12.844 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.519 11.675 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.091 10.205 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.118 11.259 10.935 1.00 0.00 H new ATOM 615 N ALA A 48 -5.419 8.178 10.034 1.00 0.00 N ATOM 616 CA ALA A 48 -5.732 6.807 10.517 1.00 0.00 C ATOM 617 C ALA A 48 -6.893 6.265 9.693 1.00 0.00 C ATOM 618 O ALA A 48 -6.832 5.166 9.177 1.00 0.00 O ATOM 619 CB ALA A 48 -6.115 6.838 11.992 1.00 0.00 C ATOM 0 H ALA A 48 -5.343 8.894 10.756 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.856 6.167 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.341 5.827 12.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.286 7.239 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.992 7.471 12.127 1.00 0.00 H new ATOM 625 N MET A 49 -7.940 7.038 9.527 1.00 0.00 N ATOM 626 CA MET A 49 -9.071 6.554 8.690 1.00 0.00 C ATOM 627 C MET A 49 -8.456 6.027 7.403 1.00 0.00 C ATOM 628 O MET A 49 -8.852 5.013 6.875 1.00 0.00 O ATOM 629 CB MET A 49 -10.032 7.707 8.366 1.00 0.00 C ATOM 630 CG MET A 49 -11.449 7.203 8.003 1.00 0.00 C ATOM 631 SD MET A 49 -11.458 5.432 7.577 1.00 0.00 S ATOM 632 CE MET A 49 -11.606 5.606 5.780 1.00 0.00 C ATOM 0 H MET A 49 -8.055 7.968 9.930 1.00 0.00 H new ATOM 0 HA MET A 49 -9.639 5.784 9.212 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.095 8.377 9.224 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.632 8.289 7.536 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.121 7.377 8.843 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.834 7.780 7.162 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.718 4.621 5.327 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.478 6.216 5.544 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.710 6.086 5.386 1.00 0.00 H new ATOM 642 N ALA A 50 -7.441 6.694 6.924 1.00 0.00 N ATOM 643 CA ALA A 50 -6.753 6.205 5.707 1.00 0.00 C ATOM 644 C ALA A 50 -6.286 4.788 6.012 1.00 0.00 C ATOM 645 O ALA A 50 -6.545 3.863 5.274 1.00 0.00 O ATOM 646 CB ALA A 50 -5.547 7.093 5.403 1.00 0.00 C ATOM 0 H ALA A 50 -7.063 7.553 7.325 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.416 6.225 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.044 6.729 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.881 8.118 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.854 7.066 6.244 1.00 0.00 H new ATOM 652 N VAL A 51 -5.630 4.612 7.129 1.00 0.00 N ATOM 653 CA VAL A 51 -5.179 3.247 7.520 1.00 0.00 C ATOM 654 C VAL A 51 -6.408 2.345 7.575 1.00 0.00 C ATOM 655 O VAL A 51 -6.496 1.354 6.874 1.00 0.00 O ATOM 656 CB VAL A 51 -4.517 3.304 8.899 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.776 1.994 9.168 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.522 4.469 8.944 1.00 0.00 C ATOM 0 H VAL A 51 -5.388 5.354 7.785 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.458 2.860 6.800 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.284 3.451 9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.306 2.037 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.482 1.164 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.011 1.845 8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.052 4.508 9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.757 4.324 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.049 5.405 8.756 1.00 0.00 H new ATOM 668 N ALA A 52 -7.376 2.694 8.379 1.00 0.00 N ATOM 669 CA ALA A 52 -8.607 1.867 8.436 1.00 0.00 C ATOM 670 C ALA A 52 -9.053 1.626 6.997 1.00 0.00 C ATOM 671 O ALA A 52 -9.536 0.568 6.645 1.00 0.00 O ATOM 672 CB ALA A 52 -9.698 2.613 9.207 1.00 0.00 C ATOM 0 H ALA A 52 -7.365 3.509 8.992 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.420 0.922 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.599 2.001 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.353 2.816 10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.920 3.554 8.704 1.00 0.00 H new ATOM 678 N ALA A 53 -8.851 2.606 6.156 1.00 0.00 N ATOM 679 CA ALA A 53 -9.209 2.453 4.725 1.00 0.00 C ATOM 680 C ALA A 53 -8.264 1.416 4.134 1.00 0.00 C ATOM 681 O ALA A 53 -8.674 0.503 3.448 1.00 0.00 O ATOM 682 CB ALA A 53 -9.032 3.790 4.003 1.00 0.00 C ATOM 0 H ALA A 53 -8.450 3.510 6.406 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.247 2.139 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.296 3.674 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.680 4.538 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.994 4.112 4.083 1.00 0.00 H new ATOM 688 N GLN A 54 -6.997 1.526 4.436 1.00 0.00 N ATOM 689 CA GLN A 54 -6.036 0.517 3.933 1.00 0.00 C ATOM 690 C GLN A 54 -6.624 -0.846 4.253 1.00 0.00 C ATOM 691 O GLN A 54 -6.445 -1.798 3.536 1.00 0.00 O ATOM 692 CB GLN A 54 -4.691 0.682 4.641 1.00 0.00 C ATOM 693 CG GLN A 54 -3.684 -0.287 4.027 1.00 0.00 C ATOM 694 CD GLN A 54 -3.024 0.363 2.811 1.00 0.00 C ATOM 695 OE1 GLN A 54 -2.906 -0.250 1.769 1.00 0.00 O ATOM 696 NE2 GLN A 54 -2.588 1.589 2.899 1.00 0.00 N ATOM 0 H GLN A 54 -6.593 2.269 5.007 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.871 0.632 2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.336 1.708 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.800 0.486 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.927 -0.556 4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.184 -1.209 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.687 2.104 3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.148 2.033 2.093 1.00 0.00 H new ATOM 705 N VAL A 55 -7.349 -0.931 5.332 1.00 0.00 N ATOM 706 CA VAL A 55 -7.977 -2.223 5.711 1.00 0.00 C ATOM 707 C VAL A 55 -9.080 -2.565 4.704 1.00 0.00 C ATOM 708 O VAL A 55 -9.355 -3.717 4.432 1.00 0.00 O ATOM 709 CB VAL A 55 -8.573 -2.092 7.112 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.842 -3.483 7.684 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.581 -1.353 8.013 1.00 0.00 C ATOM 0 H VAL A 55 -7.534 -0.157 5.970 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.231 -3.018 5.706 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.509 -1.535 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.267 -3.390 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.544 -4.012 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.907 -4.041 7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.001 -1.257 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.648 -1.914 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.387 -0.362 7.604 1.00 0.00 H new ATOM 721 N HIS A 56 -9.711 -1.571 4.146 1.00 0.00 N ATOM 722 CA HIS A 56 -10.795 -1.831 3.153 1.00 0.00 C ATOM 723 C HIS A 56 -10.175 -2.110 1.780 1.00 0.00 C ATOM 724 O HIS A 56 -10.579 -3.018 1.081 1.00 0.00 O ATOM 725 CB HIS A 56 -11.702 -0.597 3.071 1.00 0.00 C ATOM 726 CG HIS A 56 -13.108 -1.018 2.746 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.692 -2.145 3.302 1.00 0.00 N ATOM 728 CD2 HIS A 56 -14.063 -0.468 1.927 1.00 0.00 C ATOM 729 CE1 HIS A 56 -14.944 -2.236 2.816 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.222 -1.238 1.973 1.00 0.00 N ATOM 0 H HIS A 56 -9.524 -0.586 4.334 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.381 -2.697 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.684 -0.058 4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.332 0.087 2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.934 0.427 1.336 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.639 -3.021 3.076 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.095 -1.075 1.471 1.00 0.00 H new ATOM 738 N ARG A 57 -9.189 -1.346 1.387 1.00 0.00 N ATOM 739 CA ARG A 57 -8.548 -1.591 0.064 1.00 0.00 C ATOM 740 C ARG A 57 -7.610 -2.793 0.191 1.00 0.00 C ATOM 741 O ARG A 57 -7.461 -3.582 -0.720 1.00 0.00 O ATOM 742 CB ARG A 57 -7.757 -0.355 -0.365 1.00 0.00 C ATOM 743 CG ARG A 57 -8.616 0.492 -1.308 1.00 0.00 C ATOM 744 CD ARG A 57 -7.764 0.974 -2.482 1.00 0.00 C ATOM 745 NE ARG A 57 -7.833 -0.023 -3.588 1.00 0.00 N ATOM 746 CZ ARG A 57 -8.985 -0.330 -4.118 1.00 0.00 C ATOM 747 NH1 ARG A 57 -9.716 -1.278 -3.594 1.00 0.00 N ATOM 748 NH2 ARG A 57 -9.406 0.310 -5.175 1.00 0.00 N ATOM 0 H ARG A 57 -8.803 -0.568 1.922 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.311 -1.795 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.471 0.230 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.835 -0.654 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.459 -0.094 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.030 1.346 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.120 1.944 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.730 1.109 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.980 -0.465 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.386 -1.779 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.616 -1.517 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.835 1.049 -5.585 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.306 0.071 -5.591 1.00 0.00 H new ATOM 762 N GLU A 58 -6.997 -2.947 1.333 1.00 0.00 N ATOM 763 CA GLU A 58 -6.087 -4.104 1.554 1.00 0.00 C ATOM 764 C GLU A 58 -6.949 -5.342 1.805 1.00 0.00 C ATOM 765 O GLU A 58 -6.646 -6.430 1.358 1.00 0.00 O ATOM 766 CB GLU A 58 -5.211 -3.826 2.779 1.00 0.00 C ATOM 767 CG GLU A 58 -4.066 -4.833 2.862 1.00 0.00 C ATOM 768 CD GLU A 58 -3.190 -4.719 1.613 1.00 0.00 C ATOM 769 OE1 GLU A 58 -3.224 -3.676 0.982 1.00 0.00 O ATOM 770 OE2 GLU A 58 -2.498 -5.678 1.308 1.00 0.00 O ATOM 0 H GLU A 58 -7.089 -2.315 2.128 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.446 -4.263 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.809 -2.814 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.815 -3.879 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.469 -4.647 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.463 -5.844 2.949 1.00 0.00 H new ATOM 777 N TYR A 59 -8.038 -5.168 2.506 1.00 0.00 N ATOM 778 CA TYR A 59 -8.949 -6.313 2.780 1.00 0.00 C ATOM 779 C TYR A 59 -10.392 -5.848 2.604 1.00 0.00 C ATOM 780 O TYR A 59 -10.696 -4.678 2.710 1.00 0.00 O ATOM 781 CB TYR A 59 -8.772 -6.819 4.216 1.00 0.00 C ATOM 782 CG TYR A 59 -7.413 -6.443 4.746 1.00 0.00 C ATOM 783 CD1 TYR A 59 -6.300 -7.232 4.445 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.270 -5.309 5.550 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.042 -6.885 4.949 1.00 0.00 C ATOM 786 CE2 TYR A 59 -6.016 -4.961 6.055 1.00 0.00 C ATOM 787 CZ TYR A 59 -4.898 -5.749 5.755 1.00 0.00 C ATOM 788 OH TYR A 59 -3.657 -5.407 6.252 1.00 0.00 O ATOM 0 H TYR A 59 -8.335 -4.276 2.902 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.712 -7.121 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.547 -6.396 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.892 -7.902 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.411 -8.109 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.132 -4.700 5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.181 -7.494 4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.908 -4.085 6.677 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.680 -4.484 6.582 1.00 0.00 H new ATOM 798 N GLN A 60 -11.288 -6.759 2.362 1.00 0.00 N ATOM 799 CA GLN A 60 -12.716 -6.379 2.211 1.00 0.00 C ATOM 800 C GLN A 60 -13.391 -6.532 3.569 1.00 0.00 C ATOM 801 O GLN A 60 -14.559 -6.851 3.675 1.00 0.00 O ATOM 802 CB GLN A 60 -13.394 -7.292 1.188 1.00 0.00 C ATOM 803 CG GLN A 60 -14.764 -6.720 0.824 1.00 0.00 C ATOM 804 CD GLN A 60 -15.638 -7.832 0.238 1.00 0.00 C ATOM 805 OE1 GLN A 60 -16.199 -7.681 -0.829 1.00 0.00 O ATOM 806 NE2 GLN A 60 -15.778 -8.949 0.896 1.00 0.00 N ATOM 0 H GLN A 60 -11.092 -7.755 2.262 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.797 -5.350 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.775 -7.378 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.504 -8.296 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.240 -6.296 1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.653 -5.911 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.307 -9.076 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.359 -9.696 0.515 1.00 0.00 H new ATOM 815 N VAL A 61 -12.644 -6.301 4.606 1.00 0.00 N ATOM 816 CA VAL A 61 -13.188 -6.420 5.980 1.00 0.00 C ATOM 817 C VAL A 61 -13.670 -5.047 6.434 1.00 0.00 C ATOM 818 O VAL A 61 -13.086 -4.035 6.099 1.00 0.00 O ATOM 819 CB VAL A 61 -12.076 -6.905 6.913 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.876 -5.958 6.819 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.589 -6.929 8.353 1.00 0.00 C ATOM 0 H VAL A 61 -11.662 -6.030 4.558 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.017 -7.128 6.001 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.772 -7.909 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.085 -6.305 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.506 -5.940 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.181 -4.953 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.796 -7.275 9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.896 -5.925 8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.442 -7.604 8.424 1.00 0.00 H new ATOM 831 N GLU A 62 -14.732 -4.992 7.183 1.00 0.00 N ATOM 832 CA GLU A 62 -15.236 -3.670 7.634 1.00 0.00 C ATOM 833 C GLU A 62 -14.260 -3.072 8.651 1.00 0.00 C ATOM 834 O GLU A 62 -13.781 -3.739 9.547 1.00 0.00 O ATOM 835 CB GLU A 62 -16.632 -3.829 8.253 1.00 0.00 C ATOM 836 CG GLU A 62 -16.521 -4.126 9.750 1.00 0.00 C ATOM 837 CD GLU A 62 -17.751 -4.909 10.210 1.00 0.00 C ATOM 838 OE1 GLU A 62 -18.848 -4.510 9.858 1.00 0.00 O ATOM 839 OE2 GLU A 62 -17.574 -5.895 10.905 1.00 0.00 O ATOM 0 H GLU A 62 -15.269 -5.799 7.500 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.312 -2.996 6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.211 -2.919 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.168 -4.636 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.616 -4.699 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.439 -3.195 10.311 1.00 0.00 H new ATOM 846 N LEU A 63 -13.976 -1.814 8.517 1.00 0.00 N ATOM 847 CA LEU A 63 -13.048 -1.136 9.461 1.00 0.00 C ATOM 848 C LEU A 63 -13.566 0.284 9.689 1.00 0.00 C ATOM 849 O LEU A 63 -13.258 1.183 8.932 1.00 0.00 O ATOM 850 CB LEU A 63 -11.644 -1.087 8.852 1.00 0.00 C ATOM 851 CG LEU A 63 -10.596 -1.322 9.945 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.884 -0.410 11.138 1.00 0.00 C ATOM 853 CD2 LEU A 63 -10.648 -2.782 10.403 1.00 0.00 C ATOM 0 H LEU A 63 -14.352 -1.214 7.783 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.999 -1.677 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.548 -1.845 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.477 -0.120 8.377 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.607 -1.100 9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.137 -0.579 11.914 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.845 0.631 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.875 -0.631 11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.902 -2.946 11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.639 -3.004 10.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.440 -3.436 9.556 1.00 0.00 H new ATOM 865 N PRO A 64 -14.368 0.435 10.711 1.00 0.00 N ATOM 866 CA PRO A 64 -14.985 1.729 11.050 1.00 0.00 C ATOM 867 C PRO A 64 -13.987 2.632 11.773 1.00 0.00 C ATOM 868 O PRO A 64 -12.990 2.177 12.298 1.00 0.00 O ATOM 869 CB PRO A 64 -16.139 1.338 11.979 1.00 0.00 C ATOM 870 CG PRO A 64 -15.779 -0.048 12.568 1.00 0.00 C ATOM 871 CD PRO A 64 -14.726 -0.668 11.629 1.00 0.00 C ATOM 0 HA PRO A 64 -15.314 2.288 10.174 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.266 2.075 12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.080 1.294 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.385 0.052 13.579 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.663 -0.683 12.632 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.857 -1.023 12.183 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.130 -1.523 11.087 1.00 0.00 H new ATOM 879 N LEU A 65 -14.255 3.908 11.820 1.00 0.00 N ATOM 880 CA LEU A 65 -13.328 4.829 12.527 1.00 0.00 C ATOM 881 C LEU A 65 -13.445 4.550 14.023 1.00 0.00 C ATOM 882 O LEU A 65 -12.503 4.703 14.775 1.00 0.00 O ATOM 883 CB LEU A 65 -13.712 6.283 12.239 1.00 0.00 C ATOM 884 CG LEU A 65 -13.091 6.734 10.911 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.578 6.872 11.067 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.377 5.699 9.823 1.00 0.00 C ATOM 0 H LEU A 65 -15.073 4.349 11.400 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.305 4.671 12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.797 6.380 12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.368 6.926 13.049 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.526 7.694 10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.142 7.193 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.358 7.611 11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.153 5.911 11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.933 6.027 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.948 4.739 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.454 5.592 9.697 1.00 0.00 H new ATOM 898 N LYS A 66 -14.601 4.115 14.452 1.00 0.00 N ATOM 899 CA LYS A 66 -14.791 3.795 15.892 1.00 0.00 C ATOM 900 C LYS A 66 -13.865 2.636 16.252 1.00 0.00 C ATOM 901 O LYS A 66 -13.055 2.731 17.153 1.00 0.00 O ATOM 902 CB LYS A 66 -16.245 3.389 16.141 1.00 0.00 C ATOM 903 CG LYS A 66 -17.056 4.617 16.559 1.00 0.00 C ATOM 904 CD LYS A 66 -18.288 4.744 15.661 1.00 0.00 C ATOM 905 CE LYS A 66 -19.533 4.310 16.436 1.00 0.00 C ATOM 906 NZ LYS A 66 -20.689 5.161 16.039 1.00 0.00 N ATOM 0 H LYS A 66 -15.421 3.968 13.864 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.559 4.666 16.505 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.670 2.950 15.239 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.292 2.627 16.919 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.360 4.527 17.602 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.443 5.515 16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.399 5.774 15.322 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.167 4.126 14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.753 3.262 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.355 4.397 17.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.535 4.865 16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.477 6.156 16.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.863 5.057 15.019 1.00 0.00 H new ATOM 920 N VAL A 67 -13.963 1.544 15.540 1.00 0.00 N ATOM 921 CA VAL A 67 -13.068 0.393 15.830 1.00 0.00 C ATOM 922 C VAL A 67 -11.634 0.917 15.893 1.00 0.00 C ATOM 923 O VAL A 67 -10.869 0.558 16.764 1.00 0.00 O ATOM 924 CB VAL A 67 -13.212 -0.658 14.720 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.965 -1.544 14.657 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.432 -1.533 15.015 1.00 0.00 C ATOM 0 H VAL A 67 -14.622 1.403 14.774 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.331 -0.075 16.779 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.333 -0.149 13.764 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.084 -2.283 13.865 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.091 -0.927 14.450 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.832 -2.053 15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.541 -2.282 14.231 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.299 -2.030 15.976 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.326 -0.911 15.049 1.00 0.00 H new ATOM 936 N LEU A 68 -11.272 1.791 14.991 1.00 0.00 N ATOM 937 CA LEU A 68 -9.899 2.356 15.029 1.00 0.00 C ATOM 938 C LEU A 68 -9.743 3.102 16.353 1.00 0.00 C ATOM 939 O LEU A 68 -8.680 3.144 16.934 1.00 0.00 O ATOM 940 CB LEU A 68 -9.694 3.320 13.853 1.00 0.00 C ATOM 941 CG LEU A 68 -8.230 3.273 13.403 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.130 2.575 12.049 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.684 4.694 13.267 1.00 0.00 C ATOM 0 H LEU A 68 -11.866 2.134 14.236 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.156 1.562 14.949 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.349 3.046 13.026 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.962 4.334 14.149 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.650 2.725 14.146 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.088 2.543 11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.514 1.559 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.717 3.124 11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.643 4.655 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.270 5.240 12.528 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.749 5.202 14.229 1.00 0.00 H new ATOM 955 N PHE A 69 -10.814 3.671 16.845 1.00 0.00 N ATOM 956 CA PHE A 69 -10.751 4.397 18.146 1.00 0.00 C ATOM 957 C PHE A 69 -10.821 3.374 19.281 1.00 0.00 C ATOM 958 O PHE A 69 -10.163 3.506 20.294 1.00 0.00 O ATOM 959 CB PHE A 69 -11.933 5.359 18.261 1.00 0.00 C ATOM 960 CG PHE A 69 -11.761 6.502 17.288 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.543 7.187 17.221 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.822 6.878 16.455 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.385 8.248 16.322 1.00 0.00 C ATOM 964 CE2 PHE A 69 -12.664 7.940 15.556 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.446 8.624 15.489 1.00 0.00 C ATOM 0 H PHE A 69 -11.731 3.663 16.399 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.822 4.964 18.206 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.864 4.831 18.055 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.003 5.743 19.279 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.724 6.897 17.863 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.762 6.349 16.506 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.445 8.777 16.271 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.483 8.231 14.914 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.324 9.442 14.795 1.00 0.00 H new ATOM 975 N ALA A 70 -11.613 2.347 19.112 1.00 0.00 N ATOM 976 CA ALA A 70 -11.721 1.302 20.171 1.00 0.00 C ATOM 977 C ALA A 70 -10.385 0.580 20.278 1.00 0.00 C ATOM 978 O ALA A 70 -9.964 0.163 21.338 1.00 0.00 O ATOM 979 CB ALA A 70 -12.795 0.280 19.778 1.00 0.00 C ATOM 0 H ALA A 70 -12.189 2.188 18.286 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.986 1.768 21.120 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.872 -0.483 20.553 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.755 0.785 19.668 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.522 -0.189 18.833 1.00 0.00 H new ATOM 985 N GLN A 71 -9.730 0.417 19.167 1.00 0.00 N ATOM 986 CA GLN A 71 -8.427 -0.296 19.152 1.00 0.00 C ATOM 987 C GLN A 71 -7.545 0.369 18.099 1.00 0.00 C ATOM 988 O GLN A 71 -7.267 -0.205 17.066 1.00 0.00 O ATOM 989 CB GLN A 71 -8.641 -1.781 18.796 1.00 0.00 C ATOM 990 CG GLN A 71 -10.139 -2.047 18.551 1.00 0.00 C ATOM 991 CD GLN A 71 -10.476 -3.514 18.781 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.600 -4.340 18.939 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.732 -3.869 18.807 1.00 0.00 N ATOM 0 H GLN A 71 -10.046 0.752 18.257 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.955 -0.245 20.133 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.066 -2.038 17.906 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.277 -2.415 19.605 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.737 -1.424 19.217 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.400 -1.765 17.531 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.462 -3.170 18.674 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.983 -4.846 18.961 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.140 1.574 18.401 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.297 2.373 17.508 1.00 0.00 C ATOM 1004 C PRO A 72 -4.866 1.880 17.603 1.00 0.00 C ATOM 1005 O PRO A 72 -4.014 2.569 18.108 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.402 3.794 18.078 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.847 3.643 19.551 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.470 2.241 19.677 1.00 0.00 C ATOM 0 HA PRO A 72 -6.598 2.317 16.462 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.444 4.310 18.013 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.122 4.386 17.514 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.998 3.753 20.226 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.569 4.414 19.819 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.057 1.698 20.527 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.548 2.298 19.828 1.00 0.00 H new ATOM 1016 N THR A 73 -4.580 0.690 17.164 1.00 0.00 N ATOM 1017 CA THR A 73 -3.184 0.234 17.318 1.00 0.00 C ATOM 1018 C THR A 73 -2.770 -0.807 16.266 1.00 0.00 C ATOM 1019 O THR A 73 -3.585 -1.427 15.624 1.00 0.00 O ATOM 1020 CB THR A 73 -3.074 -0.327 18.731 1.00 0.00 C ATOM 1021 OG1 THR A 73 -3.603 0.621 19.649 1.00 0.00 O ATOM 1022 CG2 THR A 73 -1.633 -0.596 19.080 1.00 0.00 C ATOM 0 H THR A 73 -5.227 0.037 16.722 1.00 0.00 H new ATOM 0 HA THR A 73 -2.500 1.068 17.162 1.00 0.00 H new ATOM 0 HB THR A 73 -3.633 -1.261 18.785 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.176 1.491 19.503 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.572 -0.996 20.092 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.218 -1.319 18.378 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.065 0.333 19.022 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.480 -0.989 16.098 1.00 0.00 N ATOM 1031 CA ILE A 74 -0.967 -1.973 15.104 1.00 0.00 C ATOM 1032 C ILE A 74 -1.516 -3.363 15.414 1.00 0.00 C ATOM 1033 O ILE A 74 -2.339 -3.890 14.692 1.00 0.00 O ATOM 1034 CB ILE A 74 0.558 -1.998 15.175 1.00 0.00 C ATOM 1035 CG1 ILE A 74 1.096 -0.605 14.836 1.00 0.00 C ATOM 1036 CG2 ILE A 74 1.100 -3.015 14.171 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.584 -0.533 15.171 1.00 0.00 C ATOM 0 H ILE A 74 -0.757 -0.489 16.616 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.289 -1.682 14.104 1.00 0.00 H new ATOM 0 HB ILE A 74 0.876 -2.281 16.179 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.941 -0.392 13.778 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.550 0.153 15.397 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.189 -3.032 14.222 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.710 -4.005 14.409 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.789 -2.734 13.165 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.964 0.459 14.929 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.727 -0.727 16.234 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.124 -1.280 14.590 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.070 -3.963 16.482 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.569 -5.321 16.829 1.00 0.00 C ATOM 1051 C LYS A 75 -3.091 -5.278 16.977 1.00 0.00 C ATOM 1052 O LYS A 75 -3.798 -6.083 16.416 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.940 -5.778 18.146 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.253 -7.257 18.376 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.231 -7.850 19.347 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.680 -7.580 20.783 1.00 0.00 C ATOM 1057 NZ LYS A 75 -1.785 -8.513 21.142 1.00 0.00 N ATOM 0 H LYS A 75 -0.384 -3.573 17.127 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.298 -6.021 16.039 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.139 -5.624 18.119 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.326 -5.181 18.972 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.260 -7.368 18.778 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.227 -7.797 17.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.134 -8.923 19.180 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.751 -7.410 19.172 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.158 -7.711 21.468 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.015 -6.547 20.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.863 -8.576 22.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.680 -8.159 20.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.584 -9.456 20.752 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.605 -4.345 17.725 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.084 -4.267 17.899 1.00 0.00 C ATOM 1073 C ALA A 76 -5.748 -4.094 16.530 1.00 0.00 C ATOM 1074 O ALA A 76 -6.373 -5.000 16.016 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.423 -3.078 18.796 1.00 0.00 C ATOM 0 H ALA A 76 -3.069 -3.634 18.223 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.451 -5.183 18.361 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.503 -3.017 18.926 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.947 -3.208 19.768 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.061 -2.159 18.335 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.607 -2.941 15.932 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.213 -2.706 14.587 1.00 0.00 C ATOM 1083 C LEU A 77 -5.972 -3.946 13.721 1.00 0.00 C ATOM 1084 O LEU A 77 -6.899 -4.586 13.251 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.539 -1.476 13.955 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.460 -0.804 12.936 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -6.586 -1.680 11.696 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.835 -0.585 13.556 1.00 0.00 C ATOM 0 H LEU A 77 -5.096 -2.147 16.319 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.285 -2.527 14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.273 -0.763 14.735 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.611 -1.776 13.468 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.037 0.159 12.649 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.243 -1.196 10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.602 -1.824 11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.003 -2.648 11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.490 -0.106 12.828 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.259 -1.545 13.849 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.741 0.053 14.435 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.735 -4.315 13.529 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.454 -5.529 12.722 1.00 0.00 C ATOM 1102 C ALA A 78 -5.330 -6.660 13.255 1.00 0.00 C ATOM 1103 O ALA A 78 -6.162 -7.194 12.557 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.979 -5.911 12.857 1.00 0.00 C ATOM 0 H ALA A 78 -3.915 -3.831 13.894 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.670 -5.344 11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.778 -6.803 12.263 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.356 -5.090 12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.750 -6.113 13.903 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.163 -7.014 14.499 1.00 0.00 N ATOM 1111 CA GLN A 79 -6.000 -8.094 15.084 1.00 0.00 C ATOM 1112 C GLN A 79 -7.455 -7.863 14.683 1.00 0.00 C ATOM 1113 O GLN A 79 -8.164 -8.779 14.329 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.889 -8.060 16.607 1.00 0.00 C ATOM 1115 CG GLN A 79 -4.551 -8.653 17.049 1.00 0.00 C ATOM 1116 CD GLN A 79 -4.493 -10.133 16.668 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -4.349 -10.472 15.510 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -4.600 -11.038 17.602 1.00 0.00 N ATOM 0 H GLN A 79 -4.482 -6.600 15.135 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.659 -9.062 14.717 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.976 -7.033 16.963 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.710 -8.622 17.052 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.730 -8.114 16.578 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.430 -8.540 18.126 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.721 -10.755 18.575 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.563 -12.028 17.359 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.909 -6.639 14.727 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.317 -6.378 14.331 1.00 0.00 C ATOM 1129 C TYR A 80 -9.527 -6.950 12.933 1.00 0.00 C ATOM 1130 O TYR A 80 -10.550 -7.526 12.625 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.598 -4.875 14.319 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.077 -4.660 14.536 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.963 -4.729 13.454 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.561 -4.404 15.822 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.335 -4.538 13.661 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -12.933 -4.216 16.029 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.820 -4.283 14.948 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.172 -4.100 15.155 1.00 0.00 O ATOM 0 H TYR A 80 -7.372 -5.821 15.016 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.996 -6.846 15.044 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.025 -4.377 15.101 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.288 -4.440 13.369 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.589 -4.929 12.461 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.877 -4.351 16.656 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.019 -4.588 12.827 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.307 -4.019 17.023 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.338 -3.934 16.107 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.543 -6.803 12.093 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.647 -7.345 10.704 1.00 0.00 C ATOM 1150 C VAL A 81 -8.174 -8.790 10.709 1.00 0.00 C ATOM 1151 O VAL A 81 -8.923 -9.721 10.486 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.719 -6.565 9.758 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.440 -6.307 8.442 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.311 -5.236 10.397 1.00 0.00 C ATOM 0 H VAL A 81 -7.665 -6.329 12.306 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.681 -7.260 10.370 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.821 -7.153 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.784 -5.754 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.711 -7.258 7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.342 -5.724 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.654 -4.692 9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.201 -4.639 10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.787 -5.428 11.333 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.916 -8.954 10.961 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.298 -10.293 10.998 1.00 0.00 C ATOM 1166 C ALA A 82 -7.185 -11.260 11.787 1.00 0.00 C ATOM 1167 O ALA A 82 -7.363 -12.402 11.411 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.941 -10.133 11.672 1.00 0.00 C ATOM 0 H ALA A 82 -6.270 -8.188 11.149 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.182 -10.703 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.443 -11.102 11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.328 -9.440 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.079 -9.743 12.680 1.00 0.00 H new ATOM 1174 N THR A 83 -7.744 -10.812 12.877 1.00 0.00 N ATOM 1175 CA THR A 83 -8.622 -11.701 13.689 1.00 0.00 C ATOM 1176 C THR A 83 -10.014 -11.075 13.802 1.00 0.00 C ATOM 1177 O THR A 83 -10.548 -10.676 12.780 1.00 0.00 O ATOM 1178 CB THR A 83 -8.030 -11.868 15.091 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.682 -11.422 15.091 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.085 -13.340 15.500 1.00 0.00 C ATOM 0 H THR A 83 -7.630 -9.866 13.241 1.00 0.00 H new ATOM 0 HA THR A 83 -8.694 -12.675 13.206 1.00 0.00 H new ATOM 0 HB THR A 83 -8.607 -11.276 15.802 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.144 -12.007 15.664 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.663 -13.456 16.498 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.121 -13.679 15.502 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.510 -13.936 14.791 1.00 0.00 H new TER 1188 THR A 83