USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 973 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 34 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-3.7) USER MOD Set 1.2: A 115 HIS : no HD1:sc=-0.00432 X(o=-0.5,f=-0.51) USER MOD Set 2.1: A 33 GLN : amide:sc= -2.23 K(o=-2.4,f=-1.1!) USER MOD Set 2.2: A 38 TYR OH : rot 113:sc= -0.144 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -130:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 17 MET CE :methyl -145:sc= -3.85 (180deg=-5.02!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 58:sc= -0.291 USER MOD Single : A 37 ASN : amide:sc= -12.1! C(o=-12!,f=-16!) USER MOD Single : A 39 ASN : amide:sc= -2.39! C(o=-2.4!,f=-7.4!) USER MOD Single : A 40 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 43 THR OG1 : rot -88:sc= 1.25 USER MOD Single : A 44 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.87) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -3.37! C(o=-3.4!,f=-5!) USER MOD Single : A 50 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.6) USER MOD Single : A 51 SER OG : rot 71:sc= 0.831 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 54 TYR OH : rot 171:sc= -0.229 USER MOD Single : A 58 GLN : amide:sc= -2.5! K(o=-2.5!,f=-0.96) USER MOD Single : A 60 ASN : amide:sc= -2.99 K(o=-3,f=-4.8!) USER MOD Single : A 61 SER OG : rot 28:sc= 0.91 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.78! C(o=-1.8!,f=-5.5!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.14) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.87) USER MOD Single : A 117 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.19) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.8!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -4.615 6.624 9.930 1.00 0.00 N ATOM 24 CA VAL A 2 -3.777 5.815 10.798 1.00 0.00 C ATOM 25 C VAL A 2 -4.234 4.356 10.726 1.00 0.00 C ATOM 26 O VAL A 2 -5.429 4.073 10.800 1.00 0.00 O ATOM 27 CB VAL A 2 -3.798 6.378 12.221 1.00 0.00 C ATOM 28 CG1 VAL A 2 -3.357 5.321 13.234 1.00 0.00 C ATOM 29 CG2 VAL A 2 -2.932 7.635 12.325 1.00 0.00 C ATOM 0 HA VAL A 2 -2.740 5.848 10.465 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.824 6.659 12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.381 5.746 14.237 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.032 4.467 13.186 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.343 4.995 13.002 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.964 8.015 13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.903 7.391 12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.311 8.396 11.642 1.00 0.00 H new ATOM 39 N TYR A 3 -3.260 3.470 10.582 1.00 0.00 N ATOM 40 CA TYR A 3 -3.548 2.049 10.499 1.00 0.00 C ATOM 41 C TYR A 3 -2.305 1.217 10.824 1.00 0.00 C ATOM 42 O TYR A 3 -1.308 1.278 10.104 1.00 0.00 O ATOM 43 CB TYR A 3 -3.958 1.785 9.049 1.00 0.00 C ATOM 44 CG TYR A 3 -5.417 2.130 8.743 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.756 3.408 8.347 1.00 0.00 C ATOM 46 CD2 TYR A 3 -6.394 1.163 8.863 1.00 0.00 C ATOM 47 CE1 TYR A 3 -7.129 3.732 8.060 1.00 0.00 C ATOM 48 CE2 TYR A 3 -7.768 1.487 8.575 1.00 0.00 C ATOM 49 CZ TYR A 3 -8.067 2.755 8.187 1.00 0.00 C ATOM 50 OH TYR A 3 -9.365 3.062 7.916 1.00 0.00 O ATOM 0 H TYR A 3 -2.270 3.709 10.521 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.327 1.774 11.210 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.312 2.363 8.388 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.788 0.733 8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.991 4.165 8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.129 0.163 9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.408 4.728 7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.542 0.740 8.665 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.923 2.268 8.048 1.00 0.00 H new ATOM 60 N GLU A 4 -2.403 0.462 11.907 1.00 0.00 N ATOM 61 CA GLU A 4 -1.299 -0.380 12.336 1.00 0.00 C ATOM 62 C GLU A 4 -1.493 -1.810 11.827 1.00 0.00 C ATOM 63 O GLU A 4 -2.557 -2.150 11.311 1.00 0.00 O ATOM 64 CB GLU A 4 -1.149 -0.355 13.857 1.00 0.00 C ATOM 65 CG GLU A 4 -2.368 -0.982 14.539 1.00 0.00 C ATOM 66 CD GLU A 4 -3.095 0.043 15.412 1.00 0.00 C ATOM 67 OE1 GLU A 4 -3.517 1.073 14.845 1.00 0.00 O ATOM 68 OE2 GLU A 4 -3.213 -0.227 16.626 1.00 0.00 O ATOM 0 H GLU A 4 -3.231 0.415 12.501 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.378 0.016 11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.248 -0.896 14.146 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.026 0.673 14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.051 -1.372 13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.052 -1.827 15.151 1.00 0.00 H new ATOM 75 N ARG A 5 -0.448 -2.608 11.989 1.00 0.00 N ATOM 76 CA ARG A 5 -0.490 -3.994 11.552 1.00 0.00 C ATOM 77 C ARG A 5 -1.895 -4.569 11.747 1.00 0.00 C ATOM 78 O ARG A 5 -2.522 -5.024 10.791 1.00 0.00 O ATOM 79 CB ARG A 5 0.514 -4.847 12.328 1.00 0.00 C ATOM 80 CG ARG A 5 0.697 -4.319 13.753 1.00 0.00 C ATOM 81 CD ARG A 5 2.113 -3.776 13.958 1.00 0.00 C ATOM 82 NE ARG A 5 2.088 -2.651 14.921 1.00 0.00 N ATOM 83 CZ ARG A 5 3.141 -2.269 15.656 1.00 0.00 C ATOM 84 NH1 ARG A 5 4.309 -2.917 15.543 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.027 -1.237 16.503 1.00 0.00 N ATOM 0 H ARG A 5 0.433 -2.322 12.417 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.227 -4.016 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.170 -5.881 12.361 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.473 -4.847 11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.030 -3.531 13.949 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.503 -5.118 14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.765 -4.567 14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.525 -3.442 13.006 1.00 0.00 H new ATOM 0 HE ARG A 5 1.215 -2.135 15.031 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.397 -3.702 14.897 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.110 -2.626 16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.139 -0.743 16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.828 -0.946 17.063 1.00 0.00 H new ATOM 99 N CYS A 6 -2.348 -4.531 12.991 1.00 0.00 N ATOM 100 CA CYS A 6 -3.667 -5.043 13.324 1.00 0.00 C ATOM 101 C CYS A 6 -4.684 -4.400 12.379 1.00 0.00 C ATOM 102 O CYS A 6 -5.119 -5.025 11.412 1.00 0.00 O ATOM 103 CB CYS A 6 -4.016 -4.794 14.793 1.00 0.00 C ATOM 104 SG CYS A 6 -2.911 -5.620 15.995 1.00 0.00 S ATOM 0 H CYS A 6 -1.825 -4.153 13.781 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.684 -6.125 13.193 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.995 -3.720 14.980 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.038 -5.129 14.971 1.00 0.00 H new ATOM 109 N GLU A 7 -5.034 -3.161 12.690 1.00 0.00 N ATOM 110 CA GLU A 7 -5.992 -2.427 11.881 1.00 0.00 C ATOM 111 C GLU A 7 -5.875 -2.843 10.413 1.00 0.00 C ATOM 112 O GLU A 7 -6.800 -3.431 9.856 1.00 0.00 O ATOM 113 CB GLU A 7 -5.800 -0.918 12.040 1.00 0.00 C ATOM 114 CG GLU A 7 -6.866 -0.325 12.964 1.00 0.00 C ATOM 115 CD GLU A 7 -6.940 1.196 12.810 1.00 0.00 C ATOM 116 OE1 GLU A 7 -5.958 1.855 13.216 1.00 0.00 O ATOM 117 OE2 GLU A 7 -7.976 1.665 12.293 1.00 0.00 O ATOM 0 H GLU A 7 -4.671 -2.646 13.492 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.996 -2.671 12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.809 -0.714 12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.851 -0.436 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.837 -0.765 12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.637 -0.579 13.999 1.00 0.00 H new ATOM 124 N PHE A 8 -4.729 -2.521 9.830 1.00 0.00 N ATOM 125 CA PHE A 8 -4.480 -2.855 8.438 1.00 0.00 C ATOM 126 C PHE A 8 -4.978 -4.265 8.113 1.00 0.00 C ATOM 127 O PHE A 8 -5.769 -4.450 7.190 1.00 0.00 O ATOM 128 CB PHE A 8 -2.965 -2.801 8.229 1.00 0.00 C ATOM 129 CG PHE A 8 -2.507 -1.697 7.275 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.640 -1.861 5.930 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.965 -0.552 7.768 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.215 -0.837 5.045 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.540 0.472 6.883 1.00 0.00 C ATOM 134 CZ PHE A 8 -1.674 0.309 5.538 1.00 0.00 C ATOM 0 H PHE A 8 -3.964 -2.033 10.296 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.006 -2.155 7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.480 -2.657 9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.627 -3.763 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.069 -2.771 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.858 -0.422 8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.321 -0.968 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.110 1.381 7.276 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.351 1.089 4.864 1.00 0.00 H new ATOM 144 N ALA A 9 -4.494 -5.221 8.891 1.00 0.00 N ATOM 145 CA ALA A 9 -4.880 -6.609 8.698 1.00 0.00 C ATOM 146 C ALA A 9 -6.406 -6.715 8.706 1.00 0.00 C ATOM 147 O ALA A 9 -6.999 -7.259 7.775 1.00 0.00 O ATOM 148 CB ALA A 9 -4.230 -7.475 9.779 1.00 0.00 C ATOM 0 H ALA A 9 -3.838 -5.063 9.656 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.529 -6.974 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.520 -8.516 9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.146 -7.387 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.561 -7.140 10.762 1.00 0.00 H new ATOM 154 N ARG A 10 -6.999 -6.187 9.767 1.00 0.00 N ATOM 155 CA ARG A 10 -8.445 -6.215 9.908 1.00 0.00 C ATOM 156 C ARG A 10 -9.113 -5.663 8.646 1.00 0.00 C ATOM 157 O ARG A 10 -9.915 -6.349 8.014 1.00 0.00 O ATOM 158 CB ARG A 10 -8.896 -5.392 11.116 1.00 0.00 C ATOM 159 CG ARG A 10 -10.223 -5.915 11.671 1.00 0.00 C ATOM 160 CD ARG A 10 -10.979 -4.813 12.415 1.00 0.00 C ATOM 161 NE ARG A 10 -11.671 -3.931 11.448 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.145 -2.714 11.746 1.00 0.00 C ATOM 163 NH1 ARG A 10 -12.004 -2.226 12.987 1.00 0.00 N ATOM 164 NH2 ARG A 10 -12.758 -1.984 10.805 1.00 0.00 N ATOM 0 H ARG A 10 -6.504 -5.737 10.537 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.743 -7.253 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.132 -5.431 11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.005 -4.346 10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.838 -6.295 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.035 -6.751 12.345 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.703 -5.256 13.099 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.285 -4.229 13.020 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.795 -4.272 10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.536 -2.781 13.703 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.365 -1.299 13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.864 -2.355 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.119 -1.057 11.033 1.00 0.00 H new ATOM 178 N THR A 11 -8.756 -4.431 8.317 1.00 0.00 N ATOM 179 CA THR A 11 -9.310 -3.780 7.142 1.00 0.00 C ATOM 180 C THR A 11 -9.095 -4.647 5.900 1.00 0.00 C ATOM 181 O THR A 11 -10.043 -4.947 5.176 1.00 0.00 O ATOM 182 CB THR A 11 -8.680 -2.390 7.030 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.286 -1.648 8.084 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.110 -1.653 5.760 1.00 0.00 C ATOM 0 H THR A 11 -8.090 -3.866 8.843 1.00 0.00 H new ATOM 0 HA THR A 11 -10.389 -3.657 7.230 1.00 0.00 H new ATOM 0 HB THR A 11 -7.594 -2.482 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.626 -0.799 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.635 -0.672 5.730 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.809 -2.229 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.193 -1.531 5.759 1.00 0.00 H new ATOM 192 N LEU A 12 -7.842 -5.025 5.693 1.00 0.00 N ATOM 193 CA LEU A 12 -7.490 -5.853 4.550 1.00 0.00 C ATOM 194 C LEU A 12 -8.477 -7.018 4.446 1.00 0.00 C ATOM 195 O LEU A 12 -9.061 -7.248 3.389 1.00 0.00 O ATOM 196 CB LEU A 12 -6.027 -6.292 4.638 1.00 0.00 C ATOM 197 CG LEU A 12 -5.143 -5.920 3.446 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.496 -4.549 3.650 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.103 -7.010 3.174 1.00 0.00 C ATOM 0 H LEU A 12 -7.059 -4.774 6.296 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.573 -5.282 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.591 -5.858 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.000 -7.375 4.761 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.775 -5.849 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.873 -4.309 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.273 -3.792 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.880 -4.567 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.488 -6.721 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.470 -7.136 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.610 -7.950 2.954 1.00 0.00 H new ATOM 211 N LYS A 13 -8.632 -7.720 5.558 1.00 0.00 N ATOM 212 CA LYS A 13 -9.538 -8.856 5.605 1.00 0.00 C ATOM 213 C LYS A 13 -10.976 -8.362 5.438 1.00 0.00 C ATOM 214 O LYS A 13 -11.825 -9.080 4.911 1.00 0.00 O ATOM 215 CB LYS A 13 -9.312 -9.670 6.881 1.00 0.00 C ATOM 216 CG LYS A 13 -9.877 -11.085 6.737 1.00 0.00 C ATOM 217 CD LYS A 13 -10.335 -11.632 8.090 1.00 0.00 C ATOM 218 CE LYS A 13 -9.322 -12.636 8.645 1.00 0.00 C ATOM 219 NZ LYS A 13 -9.890 -14.003 8.638 1.00 0.00 N ATOM 0 H LYS A 13 -8.146 -7.525 6.433 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.336 -9.539 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.245 -9.721 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.787 -9.169 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.716 -11.076 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.118 -11.742 6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.462 -10.810 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.307 -12.112 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.411 -12.611 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.044 -12.357 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.190 -14.672 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.746 -14.026 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.134 -14.273 7.664 1.00 0.00 H new ATOM 233 N ARG A 14 -11.206 -7.141 5.896 1.00 0.00 N ATOM 234 CA ARG A 14 -12.527 -6.542 5.804 1.00 0.00 C ATOM 235 C ARG A 14 -12.821 -6.125 4.362 1.00 0.00 C ATOM 236 O ARG A 14 -13.980 -6.033 3.962 1.00 0.00 O ATOM 237 CB ARG A 14 -12.643 -5.320 6.716 1.00 0.00 C ATOM 238 CG ARG A 14 -14.091 -4.833 6.799 1.00 0.00 C ATOM 239 CD ARG A 14 -14.365 -4.152 8.141 1.00 0.00 C ATOM 240 NE ARG A 14 -15.738 -4.464 8.598 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.431 -3.712 9.462 1.00 0.00 C ATOM 242 NH1 ARG A 14 -15.886 -2.599 9.970 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.671 -4.074 9.820 1.00 0.00 N ATOM 0 H ARG A 14 -10.499 -6.549 6.333 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.253 -7.289 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.282 -5.571 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.007 -4.519 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.291 -4.135 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.770 -5.676 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.641 -4.488 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.242 -3.073 8.042 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.184 -5.305 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.942 -2.324 9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.415 -2.027 10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.086 -4.922 9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.199 -3.501 10.478 1.00 0.00 H new ATOM 257 N ASN A 15 -11.750 -5.883 3.620 1.00 0.00 N ATOM 258 CA ASN A 15 -11.878 -5.477 2.230 1.00 0.00 C ATOM 259 C ASN A 15 -11.907 -6.721 1.340 1.00 0.00 C ATOM 260 O ASN A 15 -12.659 -6.776 0.369 1.00 0.00 O ATOM 261 CB ASN A 15 -10.693 -4.612 1.797 1.00 0.00 C ATOM 262 CG ASN A 15 -11.158 -3.436 0.935 1.00 0.00 C ATOM 263 OD1 ASN A 15 -11.479 -3.580 -0.232 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.175 -2.270 1.574 1.00 0.00 N ATOM 0 H ASN A 15 -10.790 -5.960 3.955 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.799 -4.902 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.170 -4.238 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.981 -5.218 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.470 -1.425 1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.893 -2.221 2.553 1.00 0.00 H new ATOM 271 N GLY A 16 -11.078 -7.688 1.704 1.00 0.00 N ATOM 272 CA GLY A 16 -10.998 -8.927 0.951 1.00 0.00 C ATOM 273 C GLY A 16 -9.637 -9.066 0.265 1.00 0.00 C ATOM 274 O GLY A 16 -9.563 -9.421 -0.910 1.00 0.00 O ATOM 0 H GLY A 16 -10.456 -7.638 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.161 -9.773 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.790 -8.954 0.203 1.00 0.00 H new ATOM 278 N MET A 17 -8.593 -8.779 1.029 1.00 0.00 N ATOM 279 CA MET A 17 -7.239 -8.866 0.510 1.00 0.00 C ATOM 280 C MET A 17 -6.375 -9.779 1.384 1.00 0.00 C ATOM 281 O MET A 17 -5.556 -10.540 0.872 1.00 0.00 O ATOM 282 CB MET A 17 -6.619 -7.469 0.461 1.00 0.00 C ATOM 283 CG MET A 17 -5.941 -7.217 -0.887 1.00 0.00 C ATOM 284 SD MET A 17 -7.133 -7.363 -2.207 1.00 0.00 S ATOM 285 CE MET A 17 -8.088 -5.880 -1.927 1.00 0.00 C ATOM 0 H MET A 17 -8.658 -8.486 2.004 1.00 0.00 H new ATOM 0 HA MET A 17 -7.281 -9.288 -0.494 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.391 -6.718 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.890 -7.362 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.494 -6.223 -0.898 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.132 -7.932 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.134 -6.070 -2.167 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.004 -5.585 -0.881 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.710 -5.079 -2.562 1.00 0.00 H new ATOM 295 N ALA A 18 -6.587 -9.669 2.688 1.00 0.00 N ATOM 296 CA ALA A 18 -5.838 -10.475 3.637 1.00 0.00 C ATOM 297 C ALA A 18 -5.896 -11.943 3.212 1.00 0.00 C ATOM 298 O ALA A 18 -6.947 -12.578 3.301 1.00 0.00 O ATOM 299 CB ALA A 18 -6.395 -10.252 5.046 1.00 0.00 C ATOM 0 H ALA A 18 -7.266 -9.035 3.109 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.789 -10.178 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.834 -10.856 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.303 -9.199 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.445 -10.542 5.072 1.00 0.00 H new ATOM 305 N GLY A 19 -4.754 -12.440 2.760 1.00 0.00 N ATOM 306 CA GLY A 19 -4.663 -13.822 2.320 1.00 0.00 C ATOM 307 C GLY A 19 -5.199 -13.982 0.897 1.00 0.00 C ATOM 308 O GLY A 19 -5.794 -15.007 0.565 1.00 0.00 O ATOM 0 H GLY A 19 -3.885 -11.911 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.625 -14.152 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.228 -14.461 2.999 1.00 0.00 H new ATOM 312 N TYR A 20 -4.970 -12.954 0.093 1.00 0.00 N ATOM 313 CA TYR A 20 -5.422 -12.968 -1.288 1.00 0.00 C ATOM 314 C TYR A 20 -4.993 -14.256 -1.993 1.00 0.00 C ATOM 315 O TYR A 20 -4.409 -15.143 -1.371 1.00 0.00 O ATOM 316 CB TYR A 20 -4.742 -11.777 -1.966 1.00 0.00 C ATOM 317 CG TYR A 20 -5.433 -11.315 -3.251 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.783 -11.025 -3.242 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.707 -11.188 -4.417 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.433 -10.589 -4.451 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.358 -10.753 -5.626 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.688 -10.475 -5.583 1.00 0.00 C ATOM 323 OH TYR A 20 -7.303 -10.064 -6.725 1.00 0.00 O ATOM 0 H TYR A 20 -4.477 -12.106 0.372 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.509 -12.911 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.707 -10.944 -1.264 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.710 -12.043 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.351 -11.125 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.651 -11.415 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.488 -10.358 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.802 -10.650 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.649 -10.027 -7.454 1.00 0.00 H new ATOM 333 N TYR A 21 -5.297 -14.318 -3.281 1.00 0.00 N ATOM 334 CA TYR A 21 -4.949 -15.482 -4.077 1.00 0.00 C ATOM 335 C TYR A 21 -3.622 -16.086 -3.616 1.00 0.00 C ATOM 336 O TYR A 21 -3.529 -17.292 -3.394 1.00 0.00 O ATOM 337 CB TYR A 21 -4.794 -14.979 -5.514 1.00 0.00 C ATOM 338 CG TYR A 21 -5.862 -15.504 -6.476 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.177 -15.113 -6.328 1.00 0.00 C ATOM 340 CD2 TYR A 21 -5.510 -16.370 -7.492 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.182 -15.609 -7.234 1.00 0.00 C ATOM 342 CE2 TYR A 21 -6.514 -16.864 -8.397 1.00 0.00 C ATOM 343 CZ TYR A 21 -7.801 -16.460 -8.223 1.00 0.00 C ATOM 344 OH TYR A 21 -8.750 -16.927 -9.078 1.00 0.00 O ATOM 0 H TYR A 21 -5.781 -13.580 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.714 -16.253 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.826 -13.889 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.811 -15.269 -5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.453 -14.436 -5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.481 -16.677 -7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.215 -15.311 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.251 -17.541 -9.197 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.334 -17.524 -9.734 1.00 0.00 H new ATOM 354 N GLY A 22 -2.628 -15.219 -3.484 1.00 0.00 N ATOM 355 CA GLY A 22 -1.310 -15.652 -3.052 1.00 0.00 C ATOM 356 C GLY A 22 -0.825 -14.826 -1.858 1.00 0.00 C ATOM 357 O GLY A 22 -0.595 -15.367 -0.778 1.00 0.00 O ATOM 0 H GLY A 22 -2.709 -14.219 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.341 -16.707 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.603 -15.556 -3.876 1.00 0.00 H new ATOM 361 N VAL A 23 -0.685 -13.531 -2.095 1.00 0.00 N ATOM 362 CA VAL A 23 -0.231 -12.625 -1.053 1.00 0.00 C ATOM 363 C VAL A 23 -0.904 -12.999 0.270 1.00 0.00 C ATOM 364 O VAL A 23 -2.127 -13.107 0.339 1.00 0.00 O ATOM 365 CB VAL A 23 -0.493 -11.176 -1.469 1.00 0.00 C ATOM 366 CG1 VAL A 23 0.053 -10.198 -0.425 1.00 0.00 C ATOM 367 CG2 VAL A 23 0.095 -10.887 -2.851 1.00 0.00 C ATOM 0 H VAL A 23 -0.878 -13.087 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 23 0.845 -12.717 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.572 -11.035 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.146 -9.175 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.434 -10.380 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.128 -10.342 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.105 -9.850 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.172 -11.055 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.362 -11.549 -3.586 1.00 0.00 H new ATOM 377 N SER A 24 -0.075 -13.186 1.286 1.00 0.00 N ATOM 378 CA SER A 24 -0.574 -13.545 2.603 1.00 0.00 C ATOM 379 C SER A 24 -0.852 -12.282 3.420 1.00 0.00 C ATOM 380 O SER A 24 -0.246 -11.238 3.180 1.00 0.00 O ATOM 381 CB SER A 24 0.418 -14.446 3.341 1.00 0.00 C ATOM 382 OG SER A 24 -0.242 -15.403 4.165 1.00 0.00 O ATOM 0 H SER A 24 0.939 -13.096 1.224 1.00 0.00 H new ATOM 0 HA SER A 24 -1.503 -14.100 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.046 -14.964 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.078 -13.833 3.955 1.00 0.00 H new ATOM 0 HG SER A 24 0.425 -15.960 4.618 1.00 0.00 H new ATOM 388 N LEU A 25 -1.769 -12.418 4.367 1.00 0.00 N ATOM 389 CA LEU A 25 -2.134 -11.300 5.221 1.00 0.00 C ATOM 390 C LEU A 25 -0.897 -10.819 5.981 1.00 0.00 C ATOM 391 O LEU A 25 -0.639 -9.620 6.060 1.00 0.00 O ATOM 392 CB LEU A 25 -3.305 -11.680 6.128 1.00 0.00 C ATOM 393 CG LEU A 25 -3.627 -10.696 7.255 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.897 -9.296 6.700 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.787 -11.207 8.114 1.00 0.00 C ATOM 0 H LEU A 25 -2.270 -13.285 4.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.485 -10.460 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.195 -11.797 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.095 -12.653 6.571 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.754 -10.622 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.123 -8.616 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.016 -8.940 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.745 -9.333 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.996 -10.489 8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.674 -11.329 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.518 -12.167 8.555 1.00 0.00 H new ATOM 407 N ALA A 26 -0.163 -11.781 6.523 1.00 0.00 N ATOM 408 CA ALA A 26 1.040 -11.471 7.275 1.00 0.00 C ATOM 409 C ALA A 26 1.990 -10.656 6.396 1.00 0.00 C ATOM 410 O ALA A 26 2.553 -9.657 6.843 1.00 0.00 O ATOM 411 CB ALA A 26 1.678 -12.769 7.776 1.00 0.00 C ATOM 0 H ALA A 26 -0.379 -12.776 6.456 1.00 0.00 H new ATOM 0 HA ALA A 26 0.800 -10.867 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.581 -12.536 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.973 -13.296 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.934 -13.400 6.925 1.00 0.00 H new ATOM 417 N ASP A 27 2.139 -11.110 5.161 1.00 0.00 N ATOM 418 CA ASP A 27 3.011 -10.436 4.214 1.00 0.00 C ATOM 419 C ASP A 27 2.408 -9.076 3.852 1.00 0.00 C ATOM 420 O ASP A 27 3.137 -8.115 3.611 1.00 0.00 O ATOM 421 CB ASP A 27 3.158 -11.247 2.925 1.00 0.00 C ATOM 422 CG ASP A 27 3.613 -12.693 3.120 1.00 0.00 C ATOM 423 OD1 ASP A 27 4.507 -12.898 3.969 1.00 0.00 O ATOM 424 OD2 ASP A 27 3.056 -13.564 2.416 1.00 0.00 O ATOM 0 H ASP A 27 1.670 -11.938 4.793 1.00 0.00 H new ATOM 0 HA ASP A 27 3.990 -10.321 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.200 -11.250 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.872 -10.742 2.275 1.00 0.00 H new ATOM 429 N TRP A 28 1.084 -9.040 3.824 1.00 0.00 N ATOM 430 CA TRP A 28 0.375 -7.816 3.495 1.00 0.00 C ATOM 431 C TRP A 28 0.746 -6.760 4.540 1.00 0.00 C ATOM 432 O TRP A 28 1.205 -5.673 4.192 1.00 0.00 O ATOM 433 CB TRP A 28 -1.131 -8.061 3.403 1.00 0.00 C ATOM 434 CG TRP A 28 -1.632 -8.334 1.983 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.442 -9.318 1.569 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.321 -7.569 0.801 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.674 -9.243 0.211 1.00 0.00 N ATOM 438 CE2 TRP A 28 -1.971 -8.145 -0.272 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.517 -6.426 0.641 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -1.884 -7.650 -1.578 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.440 -5.943 -0.670 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.088 -6.513 -1.760 1.00 0.00 C ATOM 0 H TRP A 28 0.483 -9.840 4.024 1.00 0.00 H new ATOM 0 HA TRP A 28 0.670 -7.453 2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.390 -8.908 4.038 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.655 -7.192 3.801 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.860 -10.074 2.217 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.255 -9.877 -0.338 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.000 -5.958 1.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.403 -8.120 -2.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.165 -5.066 -0.848 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.978 -6.080 -2.743 1.00 0.00 H new ATOM 453 N VAL A 29 0.532 -7.118 5.797 1.00 0.00 N ATOM 454 CA VAL A 29 0.839 -6.215 6.894 1.00 0.00 C ATOM 455 C VAL A 29 2.331 -5.876 6.870 1.00 0.00 C ATOM 456 O VAL A 29 2.705 -4.704 6.865 1.00 0.00 O ATOM 457 CB VAL A 29 0.387 -6.830 8.220 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.072 -6.145 9.404 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.135 -6.775 8.360 1.00 0.00 C ATOM 0 H VAL A 29 0.150 -8.020 6.081 1.00 0.00 H new ATOM 0 HA VAL A 29 0.292 -5.279 6.781 1.00 0.00 H new ATOM 0 HB VAL A 29 0.685 -7.878 8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.733 -6.601 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.152 -6.260 9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.819 -5.085 9.407 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.429 -7.219 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.466 -5.737 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.596 -7.330 7.543 1.00 0.00 H new ATOM 469 N CYS A 30 3.142 -6.923 6.855 1.00 0.00 N ATOM 470 CA CYS A 30 4.585 -6.751 6.830 1.00 0.00 C ATOM 471 C CYS A 30 4.939 -5.828 5.663 1.00 0.00 C ATOM 472 O CYS A 30 5.705 -4.881 5.827 1.00 0.00 O ATOM 473 CB CYS A 30 5.313 -8.094 6.737 1.00 0.00 C ATOM 474 SG CYS A 30 5.809 -8.584 5.045 1.00 0.00 S ATOM 0 H CYS A 30 2.828 -7.893 6.860 1.00 0.00 H new ATOM 0 HA CYS A 30 4.916 -6.297 7.764 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.204 -8.052 7.364 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.669 -8.870 7.150 1.00 0.00 H new ATOM 479 N LEU A 31 4.364 -6.138 4.510 1.00 0.00 N ATOM 480 CA LEU A 31 4.610 -5.347 3.316 1.00 0.00 C ATOM 481 C LEU A 31 4.306 -3.877 3.611 1.00 0.00 C ATOM 482 O LEU A 31 5.137 -3.006 3.362 1.00 0.00 O ATOM 483 CB LEU A 31 3.825 -5.911 2.129 1.00 0.00 C ATOM 484 CG LEU A 31 3.825 -5.059 0.858 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.660 -5.932 -0.388 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.761 -3.962 0.935 1.00 0.00 C ATOM 0 H LEU A 31 3.729 -6.925 4.377 1.00 0.00 H new ATOM 0 HA LEU A 31 5.660 -5.404 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.231 -6.893 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.792 -6.062 2.441 1.00 0.00 H new ATOM 0 HG LEU A 31 4.793 -4.564 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.663 -5.301 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.483 -6.644 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.716 -6.473 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.781 -3.370 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.777 -4.417 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.965 -3.316 1.789 1.00 0.00 H new ATOM 498 N ALA A 32 3.111 -3.646 4.135 1.00 0.00 N ATOM 499 CA ALA A 32 2.687 -2.297 4.466 1.00 0.00 C ATOM 500 C ALA A 32 3.591 -1.739 5.567 1.00 0.00 C ATOM 501 O ALA A 32 3.760 -0.525 5.680 1.00 0.00 O ATOM 502 CB ALA A 32 1.212 -2.310 4.874 1.00 0.00 C ATOM 0 H ALA A 32 2.423 -4.371 4.338 1.00 0.00 H new ATOM 0 HA ALA A 32 2.780 -1.642 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.894 -1.297 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.609 -2.687 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.081 -2.955 5.743 1.00 0.00 H new ATOM 508 N GLN A 33 4.149 -2.651 6.349 1.00 0.00 N ATOM 509 CA GLN A 33 5.032 -2.264 7.437 1.00 0.00 C ATOM 510 C GLN A 33 6.341 -1.696 6.882 1.00 0.00 C ATOM 511 O GLN A 33 6.742 -0.590 7.240 1.00 0.00 O ATOM 512 CB GLN A 33 5.299 -3.445 8.371 1.00 0.00 C ATOM 513 CG GLN A 33 5.755 -2.961 9.750 1.00 0.00 C ATOM 514 CD GLN A 33 4.703 -2.051 10.387 1.00 0.00 C ATOM 515 OE1 GLN A 33 4.934 -0.884 10.655 1.00 0.00 O ATOM 516 NE2 GLN A 33 3.537 -2.650 10.615 1.00 0.00 N ATOM 0 H GLN A 33 4.007 -3.656 6.251 1.00 0.00 H new ATOM 0 HA GLN A 33 4.540 -1.486 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.394 -4.045 8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.062 -4.091 7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.940 -3.818 10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.698 -2.423 9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.410 -3.631 10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.770 -2.128 11.039 1.00 0.00 H new ATOM 525 N HIS A 34 6.969 -2.479 6.017 1.00 0.00 N ATOM 526 CA HIS A 34 8.222 -2.068 5.411 1.00 0.00 C ATOM 527 C HIS A 34 8.001 -0.800 4.584 1.00 0.00 C ATOM 528 O HIS A 34 8.919 0.002 4.413 1.00 0.00 O ATOM 529 CB HIS A 34 8.830 -3.209 4.593 1.00 0.00 C ATOM 530 CG HIS A 34 10.323 -3.097 4.396 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.201 -4.117 4.720 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.083 -2.078 3.902 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.431 -3.717 4.433 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.355 -2.452 3.926 1.00 0.00 N ATOM 0 H HIS A 34 6.633 -3.396 5.722 1.00 0.00 H new ATOM 0 HA HIS A 34 8.946 -1.831 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.609 -4.155 5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.347 -3.240 3.617 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.711 -1.127 3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.335 -4.291 4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.146 -1.887 3.617 1.00 0.00 H new ATOM 543 N GLU A 35 6.778 -0.657 4.094 1.00 0.00 N ATOM 544 CA GLU A 35 6.426 0.500 3.290 1.00 0.00 C ATOM 545 C GLU A 35 6.286 1.740 4.176 1.00 0.00 C ATOM 546 O GLU A 35 6.953 2.749 3.948 1.00 0.00 O ATOM 547 CB GLU A 35 5.142 0.246 2.497 1.00 0.00 C ATOM 548 CG GLU A 35 5.394 -0.725 1.342 1.00 0.00 C ATOM 549 CD GLU A 35 6.210 -0.057 0.233 1.00 0.00 C ATOM 550 OE1 GLU A 35 7.445 0.027 0.410 1.00 0.00 O ATOM 551 OE2 GLU A 35 5.581 0.352 -0.767 1.00 0.00 O ATOM 0 H GLU A 35 6.019 -1.323 4.239 1.00 0.00 H new ATOM 0 HA GLU A 35 7.228 0.678 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.376 -0.160 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.759 1.189 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.924 -1.604 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.442 -1.072 0.940 1.00 0.00 H new ATOM 558 N SER A 36 5.416 1.624 5.168 1.00 0.00 N ATOM 559 CA SER A 36 5.182 2.723 6.090 1.00 0.00 C ATOM 560 C SER A 36 4.118 2.326 7.116 1.00 0.00 C ATOM 561 O SER A 36 4.375 2.341 8.319 1.00 0.00 O ATOM 562 CB SER A 36 4.752 3.986 5.342 1.00 0.00 C ATOM 563 OG SER A 36 5.843 4.879 5.131 1.00 0.00 O ATOM 0 H SER A 36 4.865 0.786 5.354 1.00 0.00 H new ATOM 0 HA SER A 36 6.116 2.940 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.319 3.709 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.971 4.495 5.908 1.00 0.00 H new ATOM 0 HG SER A 36 6.549 4.420 4.629 1.00 0.00 H new ATOM 569 N ASN A 37 2.946 1.981 6.603 1.00 0.00 N ATOM 570 CA ASN A 37 1.843 1.583 7.460 1.00 0.00 C ATOM 571 C ASN A 37 1.593 2.671 8.506 1.00 0.00 C ATOM 572 O ASN A 37 2.079 3.793 8.366 1.00 0.00 O ATOM 573 CB ASN A 37 2.163 0.282 8.199 1.00 0.00 C ATOM 574 CG ASN A 37 0.936 -0.632 8.260 1.00 0.00 C ATOM 575 OD1 ASN A 37 0.456 -1.136 7.257 1.00 0.00 O ATOM 576 ND2 ASN A 37 0.458 -0.815 9.487 1.00 0.00 N ATOM 0 H ASN A 37 2.737 1.969 5.605 1.00 0.00 H new ATOM 0 HA ASN A 37 0.965 1.436 6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.981 -0.234 7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.503 0.508 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.359 -1.408 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.909 -0.363 10.283 1.00 0.00 H new ATOM 583 N TYR A 38 0.837 2.303 9.529 1.00 0.00 N ATOM 584 CA TYR A 38 0.518 3.235 10.597 1.00 0.00 C ATOM 585 C TYR A 38 -0.160 4.491 10.045 1.00 0.00 C ATOM 586 O TYR A 38 -1.276 4.424 9.533 1.00 0.00 O ATOM 587 CB TYR A 38 1.856 3.627 11.228 1.00 0.00 C ATOM 588 CG TYR A 38 2.605 2.461 11.874 1.00 0.00 C ATOM 589 CD1 TYR A 38 1.904 1.457 12.510 1.00 0.00 C ATOM 590 CD2 TYR A 38 3.983 2.412 11.822 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.609 0.358 13.118 1.00 0.00 C ATOM 592 CE2 TYR A 38 4.689 1.314 12.430 1.00 0.00 C ATOM 593 CZ TYR A 38 3.967 0.342 13.048 1.00 0.00 C ATOM 594 OH TYR A 38 4.633 -0.696 13.622 1.00 0.00 O ATOM 0 H TYR A 38 0.436 1.372 9.641 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.165 2.778 11.314 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.490 4.073 10.462 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.679 4.394 11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.825 1.495 12.552 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.532 3.198 11.325 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.072 -0.435 13.618 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.767 1.264 12.396 1.00 0.00 H new ATOM 0 HH TYR A 38 5.057 -1.238 12.925 1.00 0.00 H new ATOM 604 N ASN A 39 0.544 5.607 10.169 1.00 0.00 N ATOM 605 CA ASN A 39 0.024 6.876 9.688 1.00 0.00 C ATOM 606 C ASN A 39 0.416 7.060 8.222 1.00 0.00 C ATOM 607 O ASN A 39 1.546 6.768 7.835 1.00 0.00 O ATOM 608 CB ASN A 39 0.606 8.046 10.484 1.00 0.00 C ATOM 609 CG ASN A 39 0.620 7.738 11.982 1.00 0.00 C ATOM 610 OD1 ASN A 39 0.269 6.656 12.424 1.00 0.00 O ATOM 611 ND2 ASN A 39 1.045 8.746 12.738 1.00 0.00 N ATOM 0 H ASN A 39 1.469 5.659 10.595 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.060 6.863 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.620 8.254 10.143 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.017 8.944 10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.092 8.639 13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.324 9.626 12.305 1.00 0.00 H new ATOM 618 N THR A 40 -0.541 7.544 7.443 1.00 0.00 N ATOM 619 CA THR A 40 -0.311 7.770 6.026 1.00 0.00 C ATOM 620 C THR A 40 0.336 9.139 5.803 1.00 0.00 C ATOM 621 O THR A 40 -0.176 9.954 5.038 1.00 0.00 O ATOM 622 CB THR A 40 -1.645 7.603 5.297 1.00 0.00 C ATOM 623 OG1 THR A 40 -2.342 8.817 5.566 1.00 0.00 O ATOM 624 CG2 THR A 40 -2.526 6.522 5.927 1.00 0.00 C ATOM 0 H THR A 40 -1.478 7.786 7.767 1.00 0.00 H new ATOM 0 HA THR A 40 0.391 7.043 5.619 1.00 0.00 H new ATOM 0 HB THR A 40 -1.458 7.356 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.891 9.560 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.460 6.445 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.005 5.565 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.741 6.786 6.963 1.00 0.00 H new ATOM 632 N ARG A 41 1.452 9.349 6.486 1.00 0.00 N ATOM 633 CA ARG A 41 2.173 10.605 6.373 1.00 0.00 C ATOM 634 C ARG A 41 3.342 10.458 5.395 1.00 0.00 C ATOM 635 O ARG A 41 3.561 11.326 4.551 1.00 0.00 O ATOM 636 CB ARG A 41 2.709 11.057 7.733 1.00 0.00 C ATOM 637 CG ARG A 41 2.989 12.561 7.739 1.00 0.00 C ATOM 638 CD ARG A 41 2.500 13.206 9.038 1.00 0.00 C ATOM 639 NE ARG A 41 1.269 13.986 8.783 1.00 0.00 N ATOM 640 CZ ARG A 41 0.510 14.527 9.746 1.00 0.00 C ATOM 641 NH1 ARG A 41 0.851 14.376 11.033 1.00 0.00 N ATOM 642 NH2 ARG A 41 -0.591 15.219 9.422 1.00 0.00 N ATOM 0 H ARG A 41 1.874 8.670 7.120 1.00 0.00 H new ATOM 0 HA ARG A 41 1.476 11.356 6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.986 10.815 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.624 10.512 7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.059 12.736 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.495 13.030 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.305 12.436 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.275 13.856 9.445 1.00 0.00 H new ATOM 0 HE ARG A 41 0.980 14.120 7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.689 13.849 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.273 14.788 11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.851 15.334 8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.169 15.631 10.155 1.00 0.00 H new ATOM 656 N ALA A 42 4.060 9.355 5.543 1.00 0.00 N ATOM 657 CA ALA A 42 5.201 9.085 4.684 1.00 0.00 C ATOM 658 C ALA A 42 4.868 9.511 3.253 1.00 0.00 C ATOM 659 O ALA A 42 4.149 8.809 2.543 1.00 0.00 O ATOM 660 CB ALA A 42 5.572 7.604 4.780 1.00 0.00 C ATOM 0 H ALA A 42 3.874 8.638 6.244 1.00 0.00 H new ATOM 0 HA ALA A 42 6.069 9.660 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.428 7.401 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.827 7.359 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.726 6.995 4.462 1.00 0.00 H new ATOM 666 N THR A 43 5.406 10.660 2.871 1.00 0.00 N ATOM 667 CA THR A 43 5.176 11.188 1.537 1.00 0.00 C ATOM 668 C THR A 43 6.491 11.662 0.917 1.00 0.00 C ATOM 669 O THR A 43 7.320 12.267 1.596 1.00 0.00 O ATOM 670 CB THR A 43 4.120 12.290 1.642 1.00 0.00 C ATOM 671 OG1 THR A 43 4.468 12.992 2.832 1.00 0.00 O ATOM 672 CG2 THR A 43 2.723 11.738 1.929 1.00 0.00 C ATOM 0 H THR A 43 6.001 11.240 3.462 1.00 0.00 H new ATOM 0 HA THR A 43 4.797 10.418 0.865 1.00 0.00 H new ATOM 0 HB THR A 43 4.100 12.862 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.031 12.569 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.012 12.562 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.426 11.065 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.734 11.193 2.873 1.00 0.00 H new ATOM 680 N ASN A 44 6.642 11.371 -0.367 1.00 0.00 N ATOM 681 CA ASN A 44 7.842 11.761 -1.087 1.00 0.00 C ATOM 682 C ASN A 44 7.448 12.496 -2.368 1.00 0.00 C ATOM 683 O ASN A 44 7.295 11.879 -3.422 1.00 0.00 O ATOM 684 CB ASN A 44 8.670 10.536 -1.481 1.00 0.00 C ATOM 685 CG ASN A 44 10.119 10.676 -1.007 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.657 11.764 -0.890 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.714 9.518 -0.741 1.00 0.00 N ATOM 0 H ASN A 44 5.953 10.870 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 44 8.433 12.402 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.227 9.639 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.648 10.411 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.681 9.504 -0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.204 8.643 -0.861 1.00 0.00 H new ATOM 694 N TYR A 45 7.293 13.806 -2.237 1.00 0.00 N ATOM 695 CA TYR A 45 6.918 14.632 -3.373 1.00 0.00 C ATOM 696 C TYR A 45 8.155 15.218 -4.055 1.00 0.00 C ATOM 697 O TYR A 45 9.223 15.298 -3.451 1.00 0.00 O ATOM 698 CB TYR A 45 6.075 15.775 -2.801 1.00 0.00 C ATOM 699 CG TYR A 45 6.869 17.054 -2.525 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.007 18.008 -3.513 1.00 0.00 C ATOM 701 CD2 TYR A 45 7.445 17.255 -1.288 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.752 19.212 -3.253 1.00 0.00 C ATOM 703 CE2 TYR A 45 8.191 18.459 -1.028 1.00 0.00 C ATOM 704 CZ TYR A 45 8.308 19.378 -2.023 1.00 0.00 C ATOM 705 OH TYR A 45 9.013 20.514 -1.777 1.00 0.00 O ATOM 0 H TYR A 45 7.420 14.315 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 45 6.378 14.044 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.269 16.003 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.609 15.441 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.556 17.851 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.337 16.509 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.867 19.966 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.647 18.628 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 45 9.351 20.496 -0.857 1.00 0.00 H new ATOM 715 N ASN A 46 7.969 15.614 -5.307 1.00 0.00 N ATOM 716 CA ASN A 46 9.056 16.190 -6.079 1.00 0.00 C ATOM 717 C ASN A 46 8.479 16.955 -7.272 1.00 0.00 C ATOM 718 O ASN A 46 8.049 16.349 -8.252 1.00 0.00 O ATOM 719 CB ASN A 46 9.985 15.102 -6.620 1.00 0.00 C ATOM 720 CG ASN A 46 10.734 14.405 -5.482 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.219 13.524 -4.813 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.975 14.846 -5.300 1.00 0.00 N ATOM 0 H ASN A 46 7.081 15.547 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 46 9.621 16.853 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.405 14.369 -7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.700 15.542 -7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.557 14.444 -4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.345 15.587 -5.895 1.00 0.00 H new ATOM 729 N ARG A 47 8.489 18.274 -7.150 1.00 0.00 N ATOM 730 CA ARG A 47 7.973 19.128 -8.206 1.00 0.00 C ATOM 731 C ARG A 47 8.989 19.238 -9.344 1.00 0.00 C ATOM 732 O ARG A 47 8.611 19.359 -10.509 1.00 0.00 O ATOM 733 CB ARG A 47 7.655 20.528 -7.677 1.00 0.00 C ATOM 734 CG ARG A 47 6.451 21.129 -8.404 1.00 0.00 C ATOM 735 CD ARG A 47 5.541 21.879 -7.430 1.00 0.00 C ATOM 736 NE ARG A 47 4.724 22.873 -8.163 1.00 0.00 N ATOM 737 CZ ARG A 47 3.773 23.628 -7.597 1.00 0.00 C ATOM 738 NH1 ARG A 47 3.514 23.509 -6.288 1.00 0.00 N ATOM 739 NH2 ARG A 47 3.082 24.504 -8.340 1.00 0.00 N ATOM 0 H ARG A 47 8.847 18.773 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 47 7.054 18.676 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.451 20.479 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.523 21.175 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.795 21.809 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.887 20.337 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.892 21.174 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.142 22.379 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 47 4.896 22.990 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.041 22.844 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.790 24.084 -5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.280 24.596 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.358 25.079 -7.909 1.00 0.00 H new ATOM 753 N GLY A 48 10.258 19.193 -8.967 1.00 0.00 N ATOM 754 CA GLY A 48 11.332 19.286 -9.943 1.00 0.00 C ATOM 755 C GLY A 48 11.040 18.413 -11.165 1.00 0.00 C ATOM 756 O GLY A 48 11.190 18.859 -12.301 1.00 0.00 O ATOM 0 H GLY A 48 10.567 19.093 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.457 20.323 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.271 18.975 -9.486 1.00 0.00 H new ATOM 760 N ASP A 49 10.628 17.184 -10.889 1.00 0.00 N ATOM 761 CA ASP A 49 10.314 16.244 -11.951 1.00 0.00 C ATOM 762 C ASP A 49 8.824 15.904 -11.902 1.00 0.00 C ATOM 763 O ASP A 49 8.409 14.843 -12.365 1.00 0.00 O ATOM 764 CB ASP A 49 11.102 14.942 -11.784 1.00 0.00 C ATOM 765 CG ASP A 49 11.856 14.479 -13.032 1.00 0.00 C ATOM 766 OD1 ASP A 49 11.362 14.782 -14.139 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.911 13.833 -12.850 1.00 0.00 O ATOM 0 H ASP A 49 10.505 16.818 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 49 10.579 16.708 -12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.818 15.069 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.413 14.154 -11.481 1.00 0.00 H new ATOM 772 N GLN A 50 8.058 16.827 -11.338 1.00 0.00 N ATOM 773 CA GLN A 50 6.622 16.639 -11.223 1.00 0.00 C ATOM 774 C GLN A 50 6.299 15.171 -10.941 1.00 0.00 C ATOM 775 O GLN A 50 5.627 14.515 -11.737 1.00 0.00 O ATOM 776 CB GLN A 50 5.903 17.127 -12.482 1.00 0.00 C ATOM 777 CG GLN A 50 4.441 17.468 -12.181 1.00 0.00 C ATOM 778 CD GLN A 50 4.310 18.896 -11.648 1.00 0.00 C ATOM 779 OE1 GLN A 50 4.539 19.174 -10.482 1.00 0.00 O ATOM 780 NE2 GLN A 50 3.930 19.783 -12.562 1.00 0.00 N ATOM 0 H GLN A 50 8.405 17.707 -10.956 1.00 0.00 H new ATOM 0 HA GLN A 50 6.263 17.236 -10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.411 18.006 -12.878 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.950 16.358 -13.253 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.844 17.358 -13.086 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.043 16.765 -11.449 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.754 19.484 -13.521 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.814 20.763 -12.304 1.00 0.00 H new ATOM 789 N SER A 51 6.794 14.696 -9.807 1.00 0.00 N ATOM 790 CA SER A 51 6.566 13.317 -9.411 1.00 0.00 C ATOM 791 C SER A 51 6.503 13.214 -7.886 1.00 0.00 C ATOM 792 O SER A 51 7.178 13.963 -7.181 1.00 0.00 O ATOM 793 CB SER A 51 7.660 12.398 -9.960 1.00 0.00 C ATOM 794 OG SER A 51 7.650 12.348 -11.384 1.00 0.00 O ATOM 0 H SER A 51 7.352 15.242 -9.150 1.00 0.00 H new ATOM 0 HA SER A 51 5.613 12.994 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.633 12.748 -9.616 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.523 11.393 -9.561 1.00 0.00 H new ATOM 0 HG SER A 51 7.960 13.205 -11.744 1.00 0.00 H new ATOM 800 N THR A 52 5.686 12.281 -7.421 1.00 0.00 N ATOM 801 CA THR A 52 5.526 12.070 -5.992 1.00 0.00 C ATOM 802 C THR A 52 5.525 10.574 -5.670 1.00 0.00 C ATOM 803 O THR A 52 5.406 9.742 -6.568 1.00 0.00 O ATOM 804 CB THR A 52 4.249 12.787 -5.549 1.00 0.00 C ATOM 805 OG1 THR A 52 4.652 14.143 -5.382 1.00 0.00 O ATOM 806 CG2 THR A 52 3.792 12.359 -4.153 1.00 0.00 C ATOM 0 H THR A 52 5.127 11.662 -8.009 1.00 0.00 H new ATOM 0 HA THR A 52 6.363 12.490 -5.434 1.00 0.00 H new ATOM 0 HB THR A 52 3.454 12.589 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.883 14.680 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.882 12.897 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.594 11.287 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.574 12.587 -3.428 1.00 0.00 H new ATOM 814 N ASP A 53 5.661 10.278 -4.385 1.00 0.00 N ATOM 815 CA ASP A 53 5.679 8.898 -3.934 1.00 0.00 C ATOM 816 C ASP A 53 4.943 8.793 -2.596 1.00 0.00 C ATOM 817 O ASP A 53 5.263 9.510 -1.650 1.00 0.00 O ATOM 818 CB ASP A 53 7.112 8.404 -3.725 1.00 0.00 C ATOM 819 CG ASP A 53 8.145 8.991 -4.688 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.756 9.253 -5.847 1.00 0.00 O ATOM 821 OD2 ASP A 53 9.301 9.166 -4.244 1.00 0.00 O ATOM 0 H ASP A 53 5.760 10.971 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 53 5.196 8.288 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.415 8.637 -2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.124 7.318 -3.821 1.00 0.00 H new ATOM 826 N TYR A 54 3.970 7.894 -2.561 1.00 0.00 N ATOM 827 CA TYR A 54 3.186 7.688 -1.356 1.00 0.00 C ATOM 828 C TYR A 54 3.847 6.653 -0.442 1.00 0.00 C ATOM 829 O TYR A 54 3.983 5.489 -0.815 1.00 0.00 O ATOM 830 CB TYR A 54 1.831 7.150 -1.820 1.00 0.00 C ATOM 831 CG TYR A 54 0.980 8.173 -2.574 1.00 0.00 C ATOM 832 CD1 TYR A 54 0.476 9.274 -1.910 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.717 7.998 -3.917 1.00 0.00 C ATOM 834 CE1 TYR A 54 -0.325 10.237 -2.620 1.00 0.00 C ATOM 835 CE2 TYR A 54 -0.084 8.961 -4.627 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.565 10.033 -3.943 1.00 0.00 C ATOM 837 OH TYR A 54 -1.321 10.944 -4.613 1.00 0.00 O ATOM 0 H TYR A 54 3.707 7.300 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 54 3.096 8.617 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.996 6.285 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.274 6.799 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.683 9.413 -0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.112 7.138 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.726 11.102 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.298 8.835 -5.678 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.291 10.751 -5.573 1.00 0.00 H new ATOM 847 N GLY A 55 4.239 7.114 0.736 1.00 0.00 N ATOM 848 CA GLY A 55 4.882 6.243 1.704 1.00 0.00 C ATOM 849 C GLY A 55 3.960 5.087 2.099 1.00 0.00 C ATOM 850 O GLY A 55 4.371 3.928 2.083 1.00 0.00 O ATOM 0 H GLY A 55 4.124 8.080 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.807 5.848 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.153 6.816 2.591 1.00 0.00 H new ATOM 854 N ILE A 56 2.732 5.443 2.444 1.00 0.00 N ATOM 855 CA ILE A 56 1.749 4.450 2.842 1.00 0.00 C ATOM 856 C ILE A 56 2.083 3.113 2.178 1.00 0.00 C ATOM 857 O ILE A 56 1.998 2.062 2.812 1.00 0.00 O ATOM 858 CB ILE A 56 0.333 4.948 2.544 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.714 3.934 3.010 1.00 0.00 C ATOM 860 CG2 ILE A 56 0.175 5.296 1.063 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.433 3.475 4.442 1.00 0.00 C ATOM 0 H ILE A 56 2.395 6.406 2.456 1.00 0.00 H new ATOM 0 HA ILE A 56 1.785 4.289 3.919 1.00 0.00 H new ATOM 0 HB ILE A 56 0.167 5.865 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.707 4.380 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.714 3.073 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.840 5.647 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.884 6.079 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.368 4.410 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.192 2.755 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.551 3.008 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.458 4.335 5.111 1.00 0.00 H new ATOM 873 N PHE A 57 2.458 3.196 0.910 1.00 0.00 N ATOM 874 CA PHE A 57 2.805 2.005 0.152 1.00 0.00 C ATOM 875 C PHE A 57 3.882 2.314 -0.890 1.00 0.00 C ATOM 876 O PHE A 57 3.941 1.670 -1.936 1.00 0.00 O ATOM 877 CB PHE A 57 1.535 1.545 -0.564 1.00 0.00 C ATOM 878 CG PHE A 57 0.925 0.264 0.010 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.291 0.293 1.212 1.00 0.00 C ATOM 880 CD2 PHE A 57 1.017 -0.902 -0.683 1.00 0.00 C ATOM 881 CE1 PHE A 57 -0.275 -0.895 1.746 1.00 0.00 C ATOM 882 CE2 PHE A 57 0.452 -2.091 -0.149 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.183 -2.062 1.054 1.00 0.00 C ATOM 0 H PHE A 57 2.529 4.069 0.388 1.00 0.00 H new ATOM 0 HA PHE A 57 3.194 1.238 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.793 2.342 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.762 1.386 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.218 1.220 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.519 -0.924 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.778 -0.872 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.527 -3.018 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.614 -2.966 1.459 1.00 0.00 H new ATOM 893 N GLN A 58 4.706 3.299 -0.567 1.00 0.00 N ATOM 894 CA GLN A 58 5.779 3.700 -1.463 1.00 0.00 C ATOM 895 C GLN A 58 5.315 3.615 -2.918 1.00 0.00 C ATOM 896 O GLN A 58 5.965 2.977 -3.744 1.00 0.00 O ATOM 897 CB GLN A 58 7.030 2.850 -1.235 1.00 0.00 C ATOM 898 CG GLN A 58 8.276 3.554 -1.775 1.00 0.00 C ATOM 899 CD GLN A 58 8.326 5.013 -1.315 1.00 0.00 C ATOM 900 OE1 GLN A 58 8.748 5.903 -2.034 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.872 5.205 -0.080 1.00 0.00 N ATOM 0 H GLN A 58 4.653 3.831 0.301 1.00 0.00 H new ATOM 0 HA GLN A 58 6.040 4.736 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.152 2.654 -0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.912 1.884 -1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.170 3.031 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.278 3.512 -2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.533 4.414 0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.863 6.143 0.320 1.00 0.00 H new ATOM 910 N ILE A 59 4.193 4.266 -3.188 1.00 0.00 N ATOM 911 CA ILE A 59 3.635 4.272 -4.529 1.00 0.00 C ATOM 912 C ILE A 59 3.973 5.599 -5.212 1.00 0.00 C ATOM 913 O ILE A 59 3.828 6.663 -4.613 1.00 0.00 O ATOM 914 CB ILE A 59 2.135 3.967 -4.486 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.886 2.471 -4.287 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.431 4.506 -5.733 1.00 0.00 C ATOM 917 CD1 ILE A 59 0.418 2.200 -3.950 1.00 0.00 C ATOM 0 H ILE A 59 3.655 4.793 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 59 4.081 3.481 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 59 1.705 4.481 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.161 1.929 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.522 2.096 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.367 4.276 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.567 5.586 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.857 4.040 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.268 1.129 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.153 2.724 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.214 2.554 -4.765 1.00 0.00 H new ATOM 929 N ASN A 60 4.416 5.492 -6.455 1.00 0.00 N ATOM 930 CA ASN A 60 4.776 6.669 -7.226 1.00 0.00 C ATOM 931 C ASN A 60 3.503 7.355 -7.726 1.00 0.00 C ATOM 932 O ASN A 60 2.637 6.711 -8.317 1.00 0.00 O ATOM 933 CB ASN A 60 5.620 6.292 -8.446 1.00 0.00 C ATOM 934 CG ASN A 60 7.044 6.836 -8.316 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.500 7.204 -7.246 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.719 6.863 -9.461 1.00 0.00 N ATOM 0 H ASN A 60 4.534 4.607 -6.948 1.00 0.00 H new ATOM 0 HA ASN A 60 5.352 7.332 -6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.649 5.208 -8.551 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.157 6.688 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.679 7.207 -9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.277 6.540 -10.321 1.00 0.00 H new ATOM 943 N SER A 61 3.429 8.652 -7.471 1.00 0.00 N ATOM 944 CA SER A 61 2.277 9.433 -7.888 1.00 0.00 C ATOM 945 C SER A 61 2.515 10.015 -9.282 1.00 0.00 C ATOM 946 O SER A 61 1.692 10.775 -9.790 1.00 0.00 O ATOM 947 CB SER A 61 1.980 10.553 -6.889 1.00 0.00 C ATOM 948 OG SER A 61 1.560 11.750 -7.538 1.00 0.00 O ATOM 0 H SER A 61 4.149 9.183 -6.980 1.00 0.00 H new ATOM 0 HA SER A 61 1.411 8.772 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.205 10.225 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.872 10.756 -6.296 1.00 0.00 H new ATOM 0 HG SER A 61 1.126 11.526 -8.388 1.00 0.00 H new ATOM 954 N ARG A 62 3.644 9.636 -9.862 1.00 0.00 N ATOM 955 CA ARG A 62 4.001 10.110 -11.188 1.00 0.00 C ATOM 956 C ARG A 62 3.418 9.185 -12.257 1.00 0.00 C ATOM 957 O ARG A 62 3.159 9.614 -13.381 1.00 0.00 O ATOM 958 CB ARG A 62 5.520 10.181 -11.357 1.00 0.00 C ATOM 959 CG ARG A 62 6.168 8.825 -11.071 1.00 0.00 C ATOM 960 CD ARG A 62 6.986 8.344 -12.271 1.00 0.00 C ATOM 961 NE ARG A 62 8.424 8.605 -12.040 1.00 0.00 N ATOM 962 CZ ARG A 62 9.401 8.219 -12.872 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.099 7.551 -13.995 1.00 0.00 N ATOM 964 NH2 ARG A 62 10.679 8.499 -12.582 1.00 0.00 N ATOM 0 H ARG A 62 4.324 9.005 -9.437 1.00 0.00 H new ATOM 0 HA ARG A 62 3.587 11.112 -11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.762 10.497 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.930 10.933 -10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.812 8.903 -10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.397 8.092 -10.835 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.822 7.278 -12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.656 8.855 -13.175 1.00 0.00 H new ATOM 0 HE ARG A 62 8.688 9.110 -11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.126 7.337 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.842 7.257 -14.629 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.909 9.006 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.422 8.205 -13.216 1.00 0.00 H new ATOM 978 N TYR A 63 3.228 7.932 -11.871 1.00 0.00 N ATOM 979 CA TYR A 63 2.680 6.942 -12.783 1.00 0.00 C ATOM 980 C TYR A 63 1.283 6.505 -12.343 1.00 0.00 C ATOM 981 O TYR A 63 0.438 6.179 -13.177 1.00 0.00 O ATOM 982 CB TYR A 63 3.623 5.739 -12.715 1.00 0.00 C ATOM 983 CG TYR A 63 4.149 5.283 -14.076 1.00 0.00 C ATOM 984 CD1 TYR A 63 3.272 5.067 -15.119 1.00 0.00 C ATOM 985 CD2 TYR A 63 5.503 5.087 -14.263 1.00 0.00 C ATOM 986 CE1 TYR A 63 3.767 4.637 -16.401 1.00 0.00 C ATOM 987 CE2 TYR A 63 5.999 4.657 -15.545 1.00 0.00 C ATOM 988 CZ TYR A 63 5.106 4.453 -16.551 1.00 0.00 C ATOM 989 OH TYR A 63 5.574 4.048 -17.762 1.00 0.00 O ATOM 0 H TYR A 63 3.444 7.579 -10.939 1.00 0.00 H new ATOM 0 HA TYR A 63 2.597 7.352 -13.790 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.469 5.990 -12.075 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.101 4.907 -12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.213 5.221 -14.974 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.191 5.256 -13.447 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.090 4.465 -17.225 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.056 4.500 -15.704 1.00 0.00 H new ATOM 0 HH TYR A 63 6.549 3.959 -17.723 1.00 0.00 H new ATOM 999 N TRP A 64 1.079 6.514 -11.034 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.202 6.122 -10.473 1.00 0.00 C ATOM 1001 C TRP A 64 -0.875 7.376 -9.911 1.00 0.00 C ATOM 1002 O TRP A 64 -0.199 8.329 -9.526 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.030 5.018 -9.428 1.00 0.00 C ATOM 1004 CG TRP A 64 0.450 3.685 -10.006 1.00 0.00 C ATOM 1005 CD1 TRP A 64 -0.290 2.629 -10.371 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.817 3.305 -10.272 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.496 1.602 -10.850 1.00 0.00 N ATOM 1008 CE2 TRP A 64 1.819 2.026 -10.788 1.00 0.00 C ATOM 1009 CE3 TRP A 64 3.013 4.021 -10.081 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.988 1.349 -11.157 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.172 3.330 -10.454 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.191 2.042 -10.976 1.00 0.00 C ATOM 0 H TRP A 64 1.780 6.787 -10.345 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.845 5.696 -11.243 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.682 5.353 -8.674 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.982 4.861 -8.920 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.367 2.587 -10.299 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.167 0.697 -11.188 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.035 5.023 -9.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.963 0.347 -11.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 5.119 3.834 -10.327 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.130 1.578 -11.241 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.199 7.335 -9.881 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.971 8.456 -9.372 1.00 0.00 C ATOM 1025 C CYS A 65 -2.687 9.674 -10.253 1.00 0.00 C ATOM 1026 O CYS A 65 -1.561 9.866 -10.710 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.662 8.734 -7.899 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.463 10.085 -7.607 1.00 0.00 S ATOM 0 H CYS A 65 -2.757 6.543 -10.201 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.034 8.217 -9.414 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.593 8.977 -7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.277 7.821 -7.445 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.729 10.466 -10.467 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.605 11.660 -11.285 1.00 0.00 C ATOM 1035 C ASN A 66 -2.988 12.784 -10.451 1.00 0.00 C ATOM 1036 O ASN A 66 -1.767 12.880 -10.339 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.974 12.134 -11.778 1.00 0.00 C ATOM 1038 CG ASN A 66 -4.893 13.552 -12.345 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -3.854 14.011 -12.791 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -6.042 14.220 -12.302 1.00 0.00 N ATOM 0 H ASN A 66 -4.662 10.303 -10.088 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.977 11.417 -12.142 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.344 11.453 -12.544 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.689 12.108 -10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.090 15.176 -12.656 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.875 13.777 -11.916 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.860 13.607 -9.887 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.416 14.721 -9.066 1.00 0.00 C ATOM 1049 C ASP A 67 -4.622 15.583 -8.689 1.00 0.00 C ATOM 1050 O ASP A 67 -4.785 15.954 -7.527 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.423 15.603 -9.825 1.00 0.00 C ATOM 1052 CG ASP A 67 -1.924 16.826 -9.054 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -2.783 17.508 -8.454 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -0.695 17.053 -9.083 1.00 0.00 O ATOM 0 H ASP A 67 -4.872 13.525 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.931 14.314 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.564 14.995 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.893 15.941 -10.749 1.00 0.00 H new ATOM 1059 N GLY A 68 -5.436 15.877 -9.692 1.00 0.00 N ATOM 1060 CA GLY A 68 -6.623 16.689 -9.480 1.00 0.00 C ATOM 1061 C GLY A 68 -6.299 18.178 -9.621 1.00 0.00 C ATOM 1062 O GLY A 68 -7.170 19.027 -9.433 1.00 0.00 O ATOM 0 H GLY A 68 -5.297 15.568 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.392 16.410 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.030 16.494 -8.488 1.00 0.00 H new ATOM 1066 N LYS A 69 -5.046 18.450 -9.953 1.00 0.00 N ATOM 1067 CA LYS A 69 -4.598 19.822 -10.122 1.00 0.00 C ATOM 1068 C LYS A 69 -3.700 19.913 -11.358 1.00 0.00 C ATOM 1069 O LYS A 69 -3.864 20.808 -12.185 1.00 0.00 O ATOM 1070 CB LYS A 69 -3.934 20.331 -8.841 1.00 0.00 C ATOM 1071 CG LYS A 69 -3.527 21.799 -8.981 1.00 0.00 C ATOM 1072 CD LYS A 69 -2.983 22.345 -7.659 1.00 0.00 C ATOM 1073 CE LYS A 69 -4.059 23.130 -6.906 1.00 0.00 C ATOM 1074 NZ LYS A 69 -3.439 24.129 -6.007 1.00 0.00 N ATOM 0 H LYS A 69 -4.327 17.744 -10.110 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.449 20.481 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.620 20.219 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.055 19.726 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.770 21.898 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.387 22.390 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.628 21.521 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.126 22.990 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.717 23.630 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.678 22.445 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.184 24.653 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.830 23.645 -5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.867 24.793 -6.567 1.00 0.00 H new ATOM 1088 N THR A 70 -2.771 18.972 -11.445 1.00 0.00 N ATOM 1089 CA THR A 70 -1.847 18.933 -12.565 1.00 0.00 C ATOM 1090 C THR A 70 -2.207 17.788 -13.513 1.00 0.00 C ATOM 1091 O THR A 70 -1.925 16.626 -13.224 1.00 0.00 O ATOM 1092 CB THR A 70 -0.427 18.835 -12.004 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.122 20.165 -11.595 1.00 0.00 O ATOM 1094 CG2 THR A 70 0.611 18.531 -13.086 1.00 0.00 C ATOM 0 H THR A 70 -2.639 18.230 -10.757 1.00 0.00 H new ATOM 0 HA THR A 70 -1.912 19.841 -13.164 1.00 0.00 H new ATOM 0 HB THR A 70 -0.392 18.059 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.782 20.192 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.601 18.472 -12.634 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.372 17.580 -13.562 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.600 19.324 -13.834 1.00 0.00 H new ATOM 1102 N PRO A 71 -2.839 18.166 -14.657 1.00 0.00 N ATOM 1103 CA PRO A 71 -3.241 17.184 -15.649 1.00 0.00 C ATOM 1104 C PRO A 71 -2.032 16.682 -16.443 1.00 0.00 C ATOM 1105 O PRO A 71 -2.019 16.754 -17.672 1.00 0.00 O ATOM 1106 CB PRO A 71 -4.266 17.897 -16.516 1.00 0.00 C ATOM 1107 CG PRO A 71 -4.060 19.383 -16.269 1.00 0.00 C ATOM 1108 CD PRO A 71 -3.189 19.533 -15.032 1.00 0.00 C ATOM 0 HA PRO A 71 -3.671 16.287 -15.203 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.124 17.653 -17.569 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.279 17.594 -16.252 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.584 19.851 -17.131 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.018 19.882 -16.124 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.299 20.126 -15.244 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.725 20.039 -14.229 1.00 0.00 H new ATOM 1116 N ARG A 72 -1.047 16.186 -15.710 1.00 0.00 N ATOM 1117 CA ARG A 72 0.163 15.672 -16.330 1.00 0.00 C ATOM 1118 C ARG A 72 0.366 14.202 -15.960 1.00 0.00 C ATOM 1119 O ARG A 72 0.507 13.351 -16.838 1.00 0.00 O ATOM 1120 CB ARG A 72 1.390 16.475 -15.892 1.00 0.00 C ATOM 1121 CG ARG A 72 2.083 17.117 -17.095 1.00 0.00 C ATOM 1122 CD ARG A 72 1.198 18.192 -17.729 1.00 0.00 C ATOM 1123 NE ARG A 72 1.454 18.264 -19.186 1.00 0.00 N ATOM 1124 CZ ARG A 72 2.599 18.702 -19.726 1.00 0.00 C ATOM 1125 NH1 ARG A 72 3.601 19.111 -18.935 1.00 0.00 N ATOM 1126 NH2 ARG A 72 2.743 18.733 -21.058 1.00 0.00 N ATOM 0 H ARG A 72 -1.062 16.129 -14.692 1.00 0.00 H new ATOM 0 HA ARG A 72 0.048 15.766 -17.410 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.089 17.249 -15.185 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.090 15.822 -15.371 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.029 17.558 -16.781 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.318 16.352 -17.835 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.148 17.964 -17.547 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.399 19.159 -17.268 1.00 0.00 H new ATOM 0 HE ARG A 72 0.712 17.961 -19.817 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.492 19.089 -17.921 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.472 19.444 -19.347 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.981 18.423 -21.661 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.615 19.067 -21.469 1.00 0.00 H new ATOM 1140 N ALA A 73 0.372 13.946 -14.660 1.00 0.00 N ATOM 1141 CA ALA A 73 0.555 12.594 -14.164 1.00 0.00 C ATOM 1142 C ALA A 73 -0.254 11.625 -15.028 1.00 0.00 C ATOM 1143 O ALA A 73 -1.392 11.915 -15.394 1.00 0.00 O ATOM 1144 CB ALA A 73 0.155 12.532 -12.688 1.00 0.00 C ATOM 0 H ALA A 73 0.253 14.653 -13.935 1.00 0.00 H new ATOM 0 HA ALA A 73 1.602 12.300 -14.230 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.293 11.517 -12.316 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.778 13.217 -12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.891 12.818 -12.582 1.00 0.00 H new ATOM 1150 N VAL A 74 0.365 10.492 -15.330 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.284 9.479 -16.144 1.00 0.00 C ATOM 1152 C VAL A 74 -1.035 8.504 -15.235 1.00 0.00 C ATOM 1153 O VAL A 74 -0.719 7.316 -15.196 1.00 0.00 O ATOM 1154 CB VAL A 74 0.748 8.787 -17.039 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.886 8.193 -16.205 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.089 7.716 -17.910 1.00 0.00 C ATOM 0 H VAL A 74 1.309 10.254 -15.025 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.018 9.935 -16.808 1.00 0.00 H new ATOM 0 HB VAL A 74 1.175 9.540 -17.701 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.605 7.707 -16.864 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.383 8.988 -15.649 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.481 7.460 -15.507 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.844 7.240 -18.536 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.379 6.966 -17.273 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.669 8.178 -18.543 1.00 0.00 H new ATOM 1166 N ASN A 75 -2.016 9.044 -14.526 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.815 8.237 -13.621 1.00 0.00 C ATOM 1168 C ASN A 75 -3.079 6.870 -14.259 1.00 0.00 C ATOM 1169 O ASN A 75 -3.997 6.725 -15.064 1.00 0.00 O ATOM 1170 CB ASN A 75 -4.167 8.896 -13.341 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.968 9.074 -14.633 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -4.425 9.181 -15.720 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -6.285 9.099 -14.453 1.00 0.00 N ATOM 0 H ASN A 75 -2.275 10.030 -14.560 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.263 8.135 -12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.734 8.286 -12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.012 9.866 -12.868 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.907 9.213 -15.253 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.673 9.004 -13.515 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.258 5.905 -13.875 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.391 4.557 -14.399 1.00 0.00 C ATOM 1182 C ALA A 76 -3.332 3.754 -13.499 1.00 0.00 C ATOM 1183 O ALA A 76 -3.812 2.691 -13.887 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.007 3.914 -14.514 1.00 0.00 C ATOM 0 H ALA A 76 -1.498 6.030 -13.207 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.826 4.576 -15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.107 2.902 -14.907 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.386 4.505 -15.187 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.541 3.876 -13.530 1.00 0.00 H new ATOM 1190 N CYS A 77 -3.570 4.296 -12.314 1.00 0.00 N ATOM 1191 CA CYS A 77 -4.446 3.644 -11.355 1.00 0.00 C ATOM 1192 C CYS A 77 -5.873 4.141 -11.593 1.00 0.00 C ATOM 1193 O CYS A 77 -6.838 3.444 -11.280 1.00 0.00 O ATOM 1194 CB CYS A 77 -3.990 3.888 -9.915 1.00 0.00 C ATOM 1195 SG CYS A 77 -4.696 2.735 -8.681 1.00 0.00 S ATOM 0 H CYS A 77 -3.172 5.179 -11.996 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.409 2.564 -11.500 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.903 3.819 -9.876 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.255 4.907 -9.633 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.963 5.342 -12.145 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.256 5.940 -12.430 1.00 0.00 C ATOM 1202 C GLY A 78 -7.991 6.297 -11.135 1.00 0.00 C ATOM 1203 O GLY A 78 -9.119 5.857 -10.916 1.00 0.00 O ATOM 0 H GLY A 78 -5.161 5.917 -12.403 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.121 6.837 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.860 5.248 -13.016 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.323 7.091 -10.313 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.898 7.512 -9.046 1.00 0.00 C ATOM 1209 C ILE A 79 -7.336 8.884 -8.668 1.00 0.00 C ATOM 1210 O ILE A 79 -6.320 9.315 -9.210 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.680 6.441 -7.976 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.403 6.716 -7.178 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.680 5.042 -8.593 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.159 6.389 -8.004 1.00 0.00 C ATOM 0 H ILE A 79 -6.388 7.455 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.979 7.623 -9.136 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.514 6.483 -7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.378 7.763 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.405 6.120 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.523 4.299 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.638 4.859 -9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.879 4.969 -9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.266 6.593 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.175 5.336 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.148 7.004 -8.904 1.00 0.00 H new ATOM 1226 N ASN A 80 -8.023 9.533 -7.738 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.606 10.847 -7.280 1.00 0.00 C ATOM 1228 C ASN A 80 -6.414 10.697 -6.333 1.00 0.00 C ATOM 1229 O ASN A 80 -6.480 9.948 -5.359 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.732 11.547 -6.516 1.00 0.00 C ATOM 1231 CG ASN A 80 -9.643 12.322 -7.471 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -9.537 13.526 -7.631 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -10.543 11.565 -8.093 1.00 0.00 N ATOM 0 H ASN A 80 -8.865 9.173 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.341 11.441 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.318 10.809 -5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.307 12.229 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.199 11.988 -8.750 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.577 10.562 -7.913 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.351 11.423 -6.650 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.146 11.380 -5.840 1.00 0.00 C ATOM 1242 C CYS A 81 -4.541 11.612 -4.380 1.00 0.00 C ATOM 1243 O CYS A 81 -4.061 10.918 -3.486 1.00 0.00 O ATOM 1244 CB CYS A 81 -3.107 12.395 -6.318 1.00 0.00 C ATOM 1245 SG CYS A 81 -2.110 11.855 -7.755 1.00 0.00 S ATOM 0 H CYS A 81 -5.300 12.044 -7.457 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.674 10.402 -5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.618 13.323 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.434 12.621 -5.491 1.00 0.00 H new ATOM 1250 N SER A 82 -5.412 12.592 -4.184 1.00 0.00 N ATOM 1251 CA SER A 82 -5.877 12.923 -2.848 1.00 0.00 C ATOM 1252 C SER A 82 -6.437 11.675 -2.163 1.00 0.00 C ATOM 1253 O SER A 82 -6.433 11.581 -0.937 1.00 0.00 O ATOM 1254 CB SER A 82 -6.937 14.025 -2.891 1.00 0.00 C ATOM 1255 OG SER A 82 -6.444 15.260 -2.379 1.00 0.00 O ATOM 0 H SER A 82 -5.807 13.167 -4.928 1.00 0.00 H new ATOM 0 HA SER A 82 -5.028 13.294 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.272 14.166 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.807 13.714 -2.312 1.00 0.00 H new ATOM 0 HG SER A 82 -7.150 15.938 -2.425 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.906 10.748 -2.985 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.468 9.509 -2.475 1.00 0.00 C ATOM 1263 C ALA A 83 -6.386 8.737 -1.718 1.00 0.00 C ATOM 1264 O ALA A 83 -6.690 7.809 -0.970 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.061 8.702 -3.632 1.00 0.00 C ATOM 0 H ALA A 83 -6.908 10.830 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.277 9.714 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.482 7.773 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.845 9.283 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.278 8.474 -4.356 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.146 9.147 -1.941 1.00 0.00 N ATOM 1272 CA LEU A 84 -4.018 8.505 -1.289 1.00 0.00 C ATOM 1273 C LEU A 84 -3.490 9.415 -0.177 1.00 0.00 C ATOM 1274 O LEU A 84 -2.387 9.210 0.327 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.956 8.114 -2.319 1.00 0.00 C ATOM 1276 CG LEU A 84 -3.452 7.305 -3.520 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -2.837 7.823 -4.821 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.192 5.811 -3.318 1.00 0.00 C ATOM 0 H LEU A 84 -4.898 9.916 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.331 7.574 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.485 9.024 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.182 7.538 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.531 7.437 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.206 7.231 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.115 8.867 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.751 7.740 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.554 5.258 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.122 5.641 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.715 5.468 -2.425 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.304 10.400 0.173 1.00 0.00 N ATOM 1291 CA LEU A 85 -3.934 11.341 1.216 1.00 0.00 C ATOM 1292 C LEU A 85 -5.141 11.596 2.119 1.00 0.00 C ATOM 1293 O LEU A 85 -5.266 12.670 2.707 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.344 12.614 0.603 1.00 0.00 C ATOM 1295 CG LEU A 85 -1.993 13.064 1.164 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -0.876 12.112 0.731 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -1.694 14.514 0.776 1.00 0.00 C ATOM 0 H LEU A 85 -5.218 10.567 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.148 10.923 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.236 12.460 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.060 13.425 0.739 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.044 13.026 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.074 12.454 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.090 11.108 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.814 12.094 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.729 14.809 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.668 14.602 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.472 15.165 1.174 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.000 10.591 2.203 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.194 10.693 3.025 1.00 0.00 C ATOM 1311 C GLN A 86 -7.075 9.783 4.249 1.00 0.00 C ATOM 1312 O GLN A 86 -5.969 9.458 4.680 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.448 10.360 2.214 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.347 10.918 0.793 1.00 0.00 C ATOM 1315 CD GLN A 86 -9.735 11.185 0.209 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.285 12.269 0.319 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.270 10.141 -0.415 1.00 0.00 N ATOM 0 H GLN A 86 -5.893 9.702 1.715 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.287 11.723 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.584 9.279 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.326 10.774 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.768 11.842 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.811 10.212 0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.756 9.262 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.195 10.219 -0.838 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.228 9.397 4.775 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.267 8.531 5.940 1.00 0.00 C ATOM 1328 C ASP A 87 -8.311 7.070 5.485 1.00 0.00 C ATOM 1329 O ASP A 87 -7.321 6.350 5.601 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.513 8.800 6.787 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.582 9.657 6.107 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -11.317 9.088 5.270 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -10.642 10.861 6.440 1.00 0.00 O ATOM 0 H ASP A 87 -9.143 9.669 4.415 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.376 8.730 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.958 7.845 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.207 9.292 7.711 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.470 6.679 4.976 1.00 0.00 N ATOM 1339 CA ASP A 88 -9.657 5.318 4.503 1.00 0.00 C ATOM 1340 C ASP A 88 -8.529 4.960 3.533 1.00 0.00 C ATOM 1341 O ASP A 88 -8.096 5.798 2.744 1.00 0.00 O ATOM 1342 CB ASP A 88 -10.985 5.172 3.757 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.207 5.718 4.499 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -12.346 5.373 5.692 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -12.973 6.468 3.856 1.00 0.00 O ATOM 0 H ASP A 88 -10.288 7.280 4.881 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.655 4.657 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.903 5.682 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.150 4.116 3.543 1.00 0.00 H new ATOM 1350 N ILE A 89 -8.086 3.716 3.624 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.016 3.237 2.765 1.00 0.00 C ATOM 1352 C ILE A 89 -7.619 2.467 1.588 1.00 0.00 C ATOM 1353 O ILE A 89 -6.892 1.889 0.781 1.00 0.00 O ATOM 1354 CB ILE A 89 -6.001 2.426 3.574 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -6.565 1.053 3.943 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -5.535 3.205 4.805 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -5.440 0.041 4.169 1.00 0.00 C ATOM 0 H ILE A 89 -8.448 3.024 4.280 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.459 4.076 2.347 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.124 2.255 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.171 1.135 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.222 0.700 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.814 2.607 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.066 4.137 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.392 3.427 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.868 -0.927 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.850 -0.057 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.799 0.385 4.981 1.00 0.00 H new ATOM 1369 N THR A 90 -8.943 2.485 1.527 1.00 0.00 N ATOM 1370 CA THR A 90 -9.652 1.796 0.462 1.00 0.00 C ATOM 1371 C THR A 90 -8.960 2.036 -0.881 1.00 0.00 C ATOM 1372 O THR A 90 -8.913 1.145 -1.728 1.00 0.00 O ATOM 1373 CB THR A 90 -11.109 2.261 0.487 1.00 0.00 C ATOM 1374 OG1 THR A 90 -11.730 1.512 -0.555 1.00 0.00 O ATOM 1375 CG2 THR A 90 -11.267 3.717 0.044 1.00 0.00 C ATOM 0 H THR A 90 -9.543 2.966 2.198 1.00 0.00 H new ATOM 0 HA THR A 90 -9.638 0.716 0.611 1.00 0.00 H new ATOM 0 HB THR A 90 -11.511 2.142 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.679 1.750 -0.608 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.320 3.996 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.697 4.364 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.897 3.830 -0.975 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.440 3.245 -1.035 1.00 0.00 N ATOM 1384 CA ALA A 91 -7.754 3.614 -2.262 1.00 0.00 C ATOM 1385 C ALA A 91 -6.405 2.894 -2.322 1.00 0.00 C ATOM 1386 O ALA A 91 -6.014 2.387 -3.373 1.00 0.00 O ATOM 1387 CB ALA A 91 -7.605 5.135 -2.326 1.00 0.00 C ATOM 0 H ALA A 91 -8.480 3.982 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.332 3.306 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.090 5.412 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.591 5.598 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.027 5.480 -1.469 1.00 0.00 H new ATOM 1393 N ALA A 92 -5.730 2.872 -1.182 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.434 2.222 -1.092 1.00 0.00 C ATOM 1395 C ALA A 92 -4.585 0.740 -1.442 1.00 0.00 C ATOM 1396 O ALA A 92 -3.739 0.172 -2.130 1.00 0.00 O ATOM 1397 CB ALA A 92 -3.852 2.435 0.307 1.00 0.00 C ATOM 0 H ALA A 92 -6.057 3.294 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.735 2.659 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.880 1.947 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.736 3.503 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.525 2.007 1.050 1.00 0.00 H new ATOM 1403 N ILE A 93 -5.670 0.157 -0.951 1.00 0.00 N ATOM 1404 CA ILE A 93 -5.942 -1.247 -1.203 1.00 0.00 C ATOM 1405 C ILE A 93 -6.320 -1.433 -2.674 1.00 0.00 C ATOM 1406 O ILE A 93 -5.769 -2.295 -3.357 1.00 0.00 O ATOM 1407 CB ILE A 93 -6.996 -1.772 -0.226 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -6.687 -1.326 1.205 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.138 -3.292 -0.336 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -7.626 -2.005 2.205 1.00 0.00 C ATOM 0 H ILE A 93 -6.370 0.632 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.049 -1.846 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.959 -1.339 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.653 -1.568 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.788 -0.243 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.893 -3.639 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.439 -3.557 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.183 -3.764 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.386 -1.671 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.658 -1.742 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.504 -3.086 2.142 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.259 -0.610 -3.119 1.00 0.00 N ATOM 1423 CA GLN A 94 -7.717 -0.672 -4.496 1.00 0.00 C ATOM 1424 C GLN A 94 -6.536 -0.518 -5.456 1.00 0.00 C ATOM 1425 O GLN A 94 -6.412 -1.272 -6.420 1.00 0.00 O ATOM 1426 CB GLN A 94 -8.786 0.387 -4.767 1.00 0.00 C ATOM 1427 CG GLN A 94 -9.616 0.027 -6.001 1.00 0.00 C ATOM 1428 CD GLN A 94 -10.463 1.215 -6.459 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.498 1.528 -5.895 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -9.965 1.860 -7.512 1.00 0.00 N ATOM 0 H GLN A 94 -7.715 0.103 -2.550 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.171 -1.649 -4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.439 0.479 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.312 1.358 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.955 -0.286 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -10.264 -0.820 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.093 1.545 -7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.456 2.669 -7.893 1.00 0.00 H new ATOM 1439 N CYS A 95 -5.697 0.465 -5.160 1.00 0.00 N ATOM 1440 CA CYS A 95 -4.531 0.728 -5.984 1.00 0.00 C ATOM 1441 C CYS A 95 -3.547 -0.431 -5.809 1.00 0.00 C ATOM 1442 O CYS A 95 -2.931 -0.879 -6.775 1.00 0.00 O ATOM 1443 CB CYS A 95 -3.891 2.076 -5.645 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.567 3.156 -7.087 1.00 0.00 S ATOM 0 H CYS A 95 -5.803 1.089 -4.360 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.830 0.795 -7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.542 2.607 -4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.950 1.895 -5.125 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.430 -0.883 -4.569 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.531 -1.981 -4.255 1.00 0.00 C ATOM 1451 C ALA A 96 -2.857 -3.174 -5.154 1.00 0.00 C ATOM 1452 O ALA A 96 -1.960 -3.776 -5.742 1.00 0.00 O ATOM 1453 CB ALA A 96 -2.645 -2.323 -2.768 1.00 0.00 C ATOM 0 H ALA A 96 -3.942 -0.509 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.496 -1.697 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.971 -3.146 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.375 -1.451 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.670 -2.616 -2.540 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.144 -3.481 -5.233 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.598 -4.592 -6.051 1.00 0.00 C ATOM 1461 C LYS A 97 -4.433 -4.233 -7.529 1.00 0.00 C ATOM 1462 O LYS A 97 -3.966 -5.050 -8.321 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.027 -4.987 -5.671 1.00 0.00 C ATOM 1464 CG LYS A 97 -6.992 -3.817 -5.872 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.446 -4.279 -5.755 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.336 -3.547 -6.763 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.671 -4.182 -6.831 1.00 0.00 N ATOM 0 H LYS A 97 -4.886 -2.980 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.987 -5.475 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.347 -5.835 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.054 -5.310 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.791 -3.044 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.827 -3.369 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.505 -5.354 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.809 -4.096 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.438 -2.501 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.869 -3.562 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.263 -3.674 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.569 -5.174 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.121 -4.146 -5.894 1.00 0.00 H new ATOM 1481 N ARG A 98 -4.825 -3.010 -7.856 1.00 0.00 N ATOM 1482 CA ARG A 98 -4.724 -2.533 -9.224 1.00 0.00 C ATOM 1483 C ARG A 98 -3.259 -2.477 -9.661 1.00 0.00 C ATOM 1484 O ARG A 98 -2.962 -2.515 -10.855 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.347 -1.143 -9.370 1.00 0.00 C ATOM 1486 CG ARG A 98 -5.418 -0.724 -10.841 1.00 0.00 C ATOM 1487 CD ARG A 98 -6.864 -0.482 -11.272 1.00 0.00 C ATOM 1488 NE ARG A 98 -6.896 0.078 -12.642 1.00 0.00 N ATOM 1489 CZ ARG A 98 -7.974 0.053 -13.440 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -9.113 -0.503 -13.007 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -7.911 0.585 -14.667 1.00 0.00 N ATOM 0 H ARG A 98 -5.213 -2.335 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.269 -3.231 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.348 -1.143 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.759 -0.416 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.833 0.183 -10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.973 -1.499 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.423 -1.417 -11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.349 0.204 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.045 0.510 -13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.160 -0.907 -12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.933 -0.523 -13.613 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.043 1.009 -14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.731 0.566 -15.274 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.383 -2.385 -8.672 1.00 0.00 N ATOM 1506 CA VAL A 99 -0.956 -2.323 -8.940 1.00 0.00 C ATOM 1507 C VAL A 99 -0.412 -3.742 -9.111 1.00 0.00 C ATOM 1508 O VAL A 99 0.144 -4.076 -10.156 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.250 -1.542 -7.830 1.00 0.00 C ATOM 1510 CG1 VAL A 99 1.269 -1.691 -7.938 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -0.659 -0.068 -7.851 1.00 0.00 C ATOM 0 H VAL A 99 -2.633 -2.352 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.764 -1.787 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.562 -1.962 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.748 -1.127 -7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.538 -2.744 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.604 -1.309 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.143 0.464 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.390 0.371 -8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.736 0.013 -7.704 1.00 0.00 H new ATOM 1521 N VAL A 100 -0.591 -4.541 -8.069 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.124 -5.918 -8.092 1.00 0.00 C ATOM 1523 C VAL A 100 -0.756 -6.646 -9.280 1.00 0.00 C ATOM 1524 O VAL A 100 -0.163 -7.572 -9.831 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.420 -6.592 -6.751 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -1.709 -7.413 -6.823 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.758 -7.459 -6.302 1.00 0.00 C ATOM 0 H VAL A 100 -1.053 -4.262 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 100 0.957 -5.954 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.563 -5.809 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.896 -7.882 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.543 -6.759 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.607 -8.184 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.522 -7.927 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.946 -8.232 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.646 -6.837 -6.192 1.00 0.00 H new ATOM 1537 N ARG A 101 -1.951 -6.200 -9.640 1.00 0.00 N ATOM 1538 CA ARG A 101 -2.668 -6.799 -10.753 1.00 0.00 C ATOM 1539 C ARG A 101 -1.797 -6.795 -12.010 1.00 0.00 C ATOM 1540 O ARG A 101 -1.997 -7.607 -12.911 1.00 0.00 O ATOM 1541 CB ARG A 101 -3.968 -6.044 -11.038 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.184 -6.853 -10.584 1.00 0.00 C ATOM 1543 CD ARG A 101 -6.487 -6.139 -10.952 1.00 0.00 C ATOM 1544 NE ARG A 101 -6.724 -6.237 -12.409 1.00 0.00 N ATOM 1545 CZ ARG A 101 -7.615 -5.492 -13.077 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -8.359 -4.591 -12.422 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -7.762 -5.649 -14.399 1.00 0.00 N ATOM 0 H ARG A 101 -2.440 -5.432 -9.181 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.909 -7.826 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.954 -5.083 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.044 -5.834 -12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.162 -7.839 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.141 -7.006 -9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.321 -6.584 -10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.434 -5.092 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.175 -6.914 -12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.247 -4.472 -11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.037 -4.024 -12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.196 -6.336 -14.897 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.440 -5.082 -14.908 1.00 0.00 H new ATOM 1561 N ASP A 102 -0.848 -5.869 -12.032 1.00 0.00 N ATOM 1562 CA ASP A 102 0.054 -5.749 -13.164 1.00 0.00 C ATOM 1563 C ASP A 102 1.033 -6.925 -13.158 1.00 0.00 C ATOM 1564 O ASP A 102 0.991 -7.766 -12.261 1.00 0.00 O ATOM 1565 CB ASP A 102 0.868 -4.456 -13.084 1.00 0.00 C ATOM 1566 CG ASP A 102 0.667 -3.492 -14.255 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.467 -3.467 -14.781 1.00 0.00 O ATOM 1568 OD2 ASP A 102 1.651 -2.801 -14.597 1.00 0.00 O ATOM 0 H ASP A 102 -0.685 -5.195 -11.284 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.546 -5.742 -14.074 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.611 -3.939 -12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.925 -4.713 -13.022 1.00 0.00 H new ATOM 1573 N PRO A 103 1.912 -6.946 -14.195 1.00 0.00 N ATOM 1574 CA PRO A 103 2.899 -8.005 -14.318 1.00 0.00 C ATOM 1575 C PRO A 103 4.037 -7.814 -13.312 1.00 0.00 C ATOM 1576 O PRO A 103 4.983 -8.599 -13.282 1.00 0.00 O ATOM 1577 CB PRO A 103 3.367 -7.943 -15.762 1.00 0.00 C ATOM 1578 CG PRO A 103 2.973 -6.564 -16.269 1.00 0.00 C ATOM 1579 CD PRO A 103 1.989 -5.967 -15.274 1.00 0.00 C ATOM 0 HA PRO A 103 2.490 -8.989 -14.088 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.445 -8.091 -15.830 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.899 -8.727 -16.358 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.852 -5.927 -16.366 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.520 -6.635 -17.258 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.334 -5.000 -14.907 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.013 -5.804 -15.731 1.00 0.00 H new ATOM 1587 N GLN A 104 3.906 -6.765 -12.513 1.00 0.00 N ATOM 1588 CA GLN A 104 4.912 -6.460 -11.509 1.00 0.00 C ATOM 1589 C GLN A 104 4.899 -7.520 -10.406 1.00 0.00 C ATOM 1590 O GLN A 104 5.896 -8.205 -10.187 1.00 0.00 O ATOM 1591 CB GLN A 104 4.699 -5.061 -10.928 1.00 0.00 C ATOM 1592 CG GLN A 104 4.656 -4.007 -12.036 1.00 0.00 C ATOM 1593 CD GLN A 104 5.994 -3.270 -12.143 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.640 -2.956 -11.157 1.00 0.00 O ATOM 1595 NE2 GLN A 104 6.371 -3.014 -13.392 1.00 0.00 N ATOM 0 H GLN A 104 3.119 -6.116 -12.540 1.00 0.00 H new ATOM 0 HA GLN A 104 5.891 -6.474 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.768 -5.037 -10.362 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.503 -4.827 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.422 -4.484 -12.988 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.858 -3.293 -11.833 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.782 -3.305 -14.172 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.249 -2.527 -13.570 1.00 0.00 H new ATOM 1604 N GLY A 105 3.757 -7.621 -9.741 1.00 0.00 N ATOM 1605 CA GLY A 105 3.601 -8.587 -8.666 1.00 0.00 C ATOM 1606 C GLY A 105 4.236 -8.074 -7.371 1.00 0.00 C ATOM 1607 O GLY A 105 5.047 -7.149 -7.398 1.00 0.00 O ATOM 0 H GLY A 105 2.932 -7.051 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.542 -8.786 -8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.062 -9.532 -8.952 1.00 0.00 H new ATOM 1611 N ILE A 106 3.843 -8.697 -6.270 1.00 0.00 N ATOM 1612 CA ILE A 106 4.363 -8.314 -4.968 1.00 0.00 C ATOM 1613 C ILE A 106 5.862 -8.031 -5.086 1.00 0.00 C ATOM 1614 O ILE A 106 6.407 -7.226 -4.332 1.00 0.00 O ATOM 1615 CB ILE A 106 4.018 -9.374 -3.921 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.696 -9.047 -3.224 1.00 0.00 C ATOM 1617 CG2 ILE A 106 5.164 -9.553 -2.922 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.833 -7.802 -2.347 1.00 0.00 C ATOM 0 H ILE A 106 3.171 -9.464 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 106 3.890 -7.394 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 106 3.885 -10.327 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.917 -8.887 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.383 -9.894 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.892 -10.312 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.063 -9.866 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.354 -8.608 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.879 -7.591 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.595 -7.974 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.122 -6.952 -2.965 1.00 0.00 H new ATOM 1630 N ARG A 107 6.487 -8.707 -6.039 1.00 0.00 N ATOM 1631 CA ARG A 107 7.912 -8.539 -6.265 1.00 0.00 C ATOM 1632 C ARG A 107 8.299 -7.064 -6.137 1.00 0.00 C ATOM 1633 O ARG A 107 9.357 -6.740 -5.601 1.00 0.00 O ATOM 1634 CB ARG A 107 8.314 -9.045 -7.652 1.00 0.00 C ATOM 1635 CG ARG A 107 9.798 -9.414 -7.693 1.00 0.00 C ATOM 1636 CD ARG A 107 10.139 -10.175 -8.975 1.00 0.00 C ATOM 1637 NE ARG A 107 10.484 -9.222 -10.053 1.00 0.00 N ATOM 1638 CZ ARG A 107 9.583 -8.628 -10.847 1.00 0.00 C ATOM 1639 NH1 ARG A 107 8.277 -8.885 -10.689 1.00 0.00 N ATOM 1640 NH2 ARG A 107 9.987 -7.777 -11.799 1.00 0.00 N ATOM 0 H ARG A 107 6.032 -9.373 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 107 8.438 -9.124 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.712 -9.915 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 107 8.106 -8.277 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.403 -8.509 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 107 10.048 -10.025 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 107 10.975 -10.851 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.292 -10.790 -9.279 1.00 0.00 H new ATOM 0 HE ARG A 107 11.469 -9.004 -10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.969 -9.533 -9.964 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.591 -8.433 -11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.981 -7.581 -11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.301 -7.325 -12.403 1.00 0.00 H new ATOM 1654 N ALA A 108 7.419 -6.209 -6.640 1.00 0.00 N ATOM 1655 CA ALA A 108 7.656 -4.776 -6.588 1.00 0.00 C ATOM 1656 C ALA A 108 8.211 -4.404 -5.211 1.00 0.00 C ATOM 1657 O ALA A 108 9.092 -3.551 -5.103 1.00 0.00 O ATOM 1658 CB ALA A 108 6.358 -4.032 -6.912 1.00 0.00 C ATOM 0 H ALA A 108 6.542 -6.481 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 108 8.396 -4.483 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.535 -2.957 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.020 -4.308 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.593 -4.300 -6.183 1.00 0.00 H new ATOM 1664 N TRP A 109 7.676 -5.063 -4.194 1.00 0.00 N ATOM 1665 CA TRP A 109 8.108 -4.813 -2.829 1.00 0.00 C ATOM 1666 C TRP A 109 9.209 -5.818 -2.490 1.00 0.00 C ATOM 1667 O TRP A 109 9.150 -6.484 -1.456 1.00 0.00 O ATOM 1668 CB TRP A 109 6.925 -4.871 -1.861 1.00 0.00 C ATOM 1669 CG TRP A 109 5.888 -3.767 -2.077 1.00 0.00 C ATOM 1670 CD1 TRP A 109 5.864 -2.539 -1.538 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.718 -3.838 -2.920 1.00 0.00 C ATOM 1672 NE1 TRP A 109 4.769 -1.819 -1.968 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.050 -2.634 -2.836 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.240 -4.887 -3.726 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.866 -2.363 -3.533 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 3.056 -4.601 -4.415 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.371 -3.394 -4.342 1.00 0.00 C ATOM 0 H TRP A 109 6.947 -5.770 -4.288 1.00 0.00 H new ATOM 0 HA TRP A 109 8.515 -3.806 -2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.435 -5.840 -1.960 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.301 -4.807 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.609 -2.161 -0.853 1.00 0.00 H new ATOM 0 HE1 TRP A 109 4.530 -0.864 -1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.746 -5.837 -3.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.362 -1.411 -3.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.645 -5.373 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.461 -3.252 -4.906 1.00 0.00 H new ATOM 1688 N VAL A 110 10.188 -5.899 -3.379 1.00 0.00 N ATOM 1689 CA VAL A 110 11.300 -6.813 -3.186 1.00 0.00 C ATOM 1690 C VAL A 110 11.620 -6.912 -1.693 1.00 0.00 C ATOM 1691 O VAL A 110 11.982 -7.980 -1.202 1.00 0.00 O ATOM 1692 CB VAL A 110 12.498 -6.364 -4.026 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.050 -5.029 -3.523 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.589 -7.437 -4.043 1.00 0.00 C ATOM 0 H VAL A 110 10.234 -5.346 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 110 11.036 -7.813 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 110 12.154 -6.220 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.901 -4.732 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.273 -4.267 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.370 -5.135 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.429 -7.093 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.928 -7.627 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.188 -8.357 -4.470 1.00 0.00 H new ATOM 1704 N ALA A 111 11.475 -5.785 -1.013 1.00 0.00 N ATOM 1705 CA ALA A 111 11.744 -5.732 0.413 1.00 0.00 C ATOM 1706 C ALA A 111 11.168 -6.980 1.084 1.00 0.00 C ATOM 1707 O ALA A 111 11.892 -7.728 1.739 1.00 0.00 O ATOM 1708 CB ALA A 111 11.167 -4.438 0.994 1.00 0.00 C ATOM 0 H ALA A 111 11.174 -4.901 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 111 12.818 -5.724 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.369 -4.398 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.631 -3.581 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.090 -4.412 0.827 1.00 0.00 H new ATOM 1714 N TRP A 112 9.869 -7.167 0.898 1.00 0.00 N ATOM 1715 CA TRP A 112 9.187 -8.312 1.476 1.00 0.00 C ATOM 1716 C TRP A 112 9.951 -9.572 1.067 1.00 0.00 C ATOM 1717 O TRP A 112 10.385 -10.344 1.921 1.00 0.00 O ATOM 1718 CB TRP A 112 7.716 -8.342 1.059 1.00 0.00 C ATOM 1719 CG TRP A 112 7.089 -9.738 1.087 1.00 0.00 C ATOM 1720 CD1 TRP A 112 7.631 -10.876 1.540 1.00 0.00 C ATOM 1721 CD2 TRP A 112 5.772 -10.098 0.621 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.763 -11.940 1.402 1.00 0.00 N ATOM 1723 CE2 TRP A 112 5.596 -11.451 0.825 1.00 0.00 C ATOM 1724 CE3 TRP A 112 4.762 -9.306 0.047 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 4.421 -12.132 0.483 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 3.594 -10.002 -0.290 1.00 0.00 C ATOM 1727 CH2 TRP A 112 3.401 -11.364 -0.091 1.00 0.00 C ATOM 0 H TRP A 112 9.271 -6.544 0.355 1.00 0.00 H new ATOM 0 HA TRP A 112 9.179 -8.248 2.564 1.00 0.00 H new ATOM 0 HB2 TRP A 112 7.148 -7.687 1.720 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.626 -7.935 0.052 1.00 0.00 H new ATOM 0 HD1 TRP A 112 8.623 -10.951 1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 112 6.944 -12.907 1.673 1.00 0.00 H new ATOM 0 HE3 TRP A 112 4.878 -8.245 -0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 4.308 -13.193 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 2.786 -9.441 -0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 112 2.469 -11.828 -0.378 1.00 0.00 H new ATOM 1738 N ARG A 113 10.090 -9.744 -0.239 1.00 0.00 N ATOM 1739 CA ARG A 113 10.793 -10.898 -0.771 1.00 0.00 C ATOM 1740 C ARG A 113 12.106 -11.116 -0.015 1.00 0.00 C ATOM 1741 O ARG A 113 12.667 -12.210 -0.039 1.00 0.00 O ATOM 1742 CB ARG A 113 11.094 -10.722 -2.261 1.00 0.00 C ATOM 1743 CG ARG A 113 11.563 -12.037 -2.885 1.00 0.00 C ATOM 1744 CD ARG A 113 12.099 -11.811 -4.301 1.00 0.00 C ATOM 1745 NE ARG A 113 12.277 -13.111 -4.987 1.00 0.00 N ATOM 1746 CZ ARG A 113 11.268 -13.856 -5.457 1.00 0.00 C ATOM 1747 NH1 ARG A 113 10.003 -13.437 -5.318 1.00 0.00 N ATOM 1748 NH2 ARG A 113 11.524 -15.022 -6.067 1.00 0.00 N ATOM 0 H ARG A 113 9.727 -9.103 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 113 10.147 -11.767 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.201 -10.369 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.861 -9.959 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.341 -12.481 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.735 -12.746 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.408 -11.184 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.050 -11.279 -4.259 1.00 0.00 H new ATOM 0 HE ARG A 113 13.227 -13.461 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.808 -12.550 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.235 -14.005 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.487 -15.341 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.756 -15.590 -6.425 1.00 0.00 H new ATOM 1762 N ALA A 114 12.557 -10.056 0.638 1.00 0.00 N ATOM 1763 CA ALA A 114 13.794 -10.116 1.400 1.00 0.00 C ATOM 1764 C ALA A 114 13.555 -9.540 2.798 1.00 0.00 C ATOM 1765 O ALA A 114 14.425 -8.874 3.356 1.00 0.00 O ATOM 1766 CB ALA A 114 14.896 -9.374 0.644 1.00 0.00 C ATOM 0 H ALA A 114 12.089 -9.150 0.656 1.00 0.00 H new ATOM 0 HA ALA A 114 14.121 -11.149 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.823 -9.419 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.047 -9.840 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.605 -8.333 0.506 1.00 0.00 H new ATOM 1772 N HIS A 115 12.372 -9.820 3.324 1.00 0.00 N ATOM 1773 CA HIS A 115 12.007 -9.338 4.645 1.00 0.00 C ATOM 1774 C HIS A 115 11.007 -10.302 5.285 1.00 0.00 C ATOM 1775 O HIS A 115 11.207 -10.753 6.412 1.00 0.00 O ATOM 1776 CB HIS A 115 11.486 -7.902 4.576 1.00 0.00 C ATOM 1777 CG HIS A 115 11.699 -7.108 5.843 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.938 -6.628 6.226 1.00 0.00 N ATOM 1779 CD2 HIS A 115 10.818 -6.716 6.808 1.00 0.00 C ATOM 1780 CE1 HIS A 115 12.798 -5.978 7.372 1.00 0.00 C ATOM 1781 NE2 HIS A 115 11.484 -6.034 7.732 1.00 0.00 N ATOM 0 H HIS A 115 11.653 -10.375 2.859 1.00 0.00 H new ATOM 0 HA HIS A 115 12.891 -9.311 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.978 -7.388 3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.420 -7.924 4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.758 -6.925 6.818 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.587 -5.489 7.924 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.080 -5.620 8.572 1.00 0.00 H new ATOM 1790 N CYS A 116 9.951 -10.591 4.539 1.00 0.00 N ATOM 1791 CA CYS A 116 8.919 -11.493 5.020 1.00 0.00 C ATOM 1792 C CYS A 116 9.318 -12.922 4.646 1.00 0.00 C ATOM 1793 O CYS A 116 9.308 -13.814 5.493 1.00 0.00 O ATOM 1794 CB CYS A 116 7.541 -11.123 4.466 1.00 0.00 C ATOM 1795 SG CYS A 116 6.317 -10.616 5.729 1.00 0.00 S ATOM 0 H CYS A 116 9.788 -10.216 3.605 1.00 0.00 H new ATOM 0 HA CYS A 116 8.837 -11.411 6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.659 -10.311 3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.144 -11.977 3.918 1.00 0.00 H new ATOM 1800 N GLN A 117 9.660 -13.095 3.378 1.00 0.00 N ATOM 1801 CA GLN A 117 10.062 -14.400 2.882 1.00 0.00 C ATOM 1802 C GLN A 117 11.410 -14.805 3.484 1.00 0.00 C ATOM 1803 O GLN A 117 12.368 -15.058 2.756 1.00 0.00 O ATOM 1804 CB GLN A 117 10.119 -14.413 1.354 1.00 0.00 C ATOM 1805 CG GLN A 117 9.024 -15.310 0.772 1.00 0.00 C ATOM 1806 CD GLN A 117 9.387 -16.788 0.927 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.475 -17.225 0.589 1.00 0.00 O ATOM 1808 NE2 GLN A 117 8.419 -17.531 1.454 1.00 0.00 N ATOM 0 H GLN A 117 9.667 -12.353 2.679 1.00 0.00 H new ATOM 0 HA GLN A 117 9.314 -15.130 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.003 -13.398 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.096 -14.767 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.078 -15.109 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.879 -15.076 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.531 -17.102 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.564 -18.530 1.597 1.00 0.00 H new ATOM 1817 N ASN A 118 11.439 -14.853 4.808 1.00 0.00 N ATOM 1818 CA ASN A 118 12.654 -15.222 5.517 1.00 0.00 C ATOM 1819 C ASN A 118 12.285 -16.010 6.774 1.00 0.00 C ATOM 1820 O ASN A 118 12.797 -17.108 6.995 1.00 0.00 O ATOM 1821 CB ASN A 118 13.438 -13.982 5.948 1.00 0.00 C ATOM 1822 CG ASN A 118 14.925 -14.303 6.114 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.309 -15.336 6.636 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.737 -13.362 5.641 1.00 0.00 N ATOM 0 H ASN A 118 10.642 -14.643 5.408 1.00 0.00 H new ATOM 0 HA ASN A 118 13.269 -15.821 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.313 -13.193 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.037 -13.603 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.748 -13.482 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.349 -12.520 5.215 1.00 0.00 H new ATOM 1831 N ARG A 119 11.400 -15.422 7.565 1.00 0.00 N ATOM 1832 CA ARG A 119 10.958 -16.057 8.796 1.00 0.00 C ATOM 1833 C ARG A 119 9.429 -16.075 8.862 1.00 0.00 C ATOM 1834 O ARG A 119 8.758 -15.736 7.890 1.00 0.00 O ATOM 1835 CB ARG A 119 11.506 -15.323 10.022 1.00 0.00 C ATOM 1836 CG ARG A 119 11.810 -16.303 11.156 1.00 0.00 C ATOM 1837 CD ARG A 119 11.304 -15.766 12.496 1.00 0.00 C ATOM 1838 NE ARG A 119 12.341 -14.919 13.126 1.00 0.00 N ATOM 1839 CZ ARG A 119 12.184 -14.281 14.294 1.00 0.00 C ATOM 1840 NH1 ARG A 119 11.029 -14.390 14.966 1.00 0.00 N ATOM 1841 NH2 ARG A 119 13.180 -13.534 14.790 1.00 0.00 N ATOM 0 H ARG A 119 10.977 -14.513 7.378 1.00 0.00 H new ATOM 0 HA ARG A 119 11.338 -17.078 8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.413 -14.782 9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.782 -14.582 10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.342 -17.265 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.885 -16.477 11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 119 10.393 -15.187 12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 119 11.049 -16.595 13.156 1.00 0.00 H new ATOM 0 HE ARG A 119 13.232 -14.814 12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.271 -14.958 14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.909 -13.905 15.855 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.058 -13.451 14.278 1.00 0.00 H new ATOM 0 HH22 ARG A 119 13.060 -13.049 15.679 1.00 0.00 H new ATOM 1855 N ASP A 120 8.925 -16.476 10.020 1.00 0.00 N ATOM 1856 CA ASP A 120 7.488 -16.544 10.227 1.00 0.00 C ATOM 1857 C ASP A 120 7.007 -15.240 10.865 1.00 0.00 C ATOM 1858 O ASP A 120 7.147 -15.046 12.071 1.00 0.00 O ATOM 1859 CB ASP A 120 7.121 -17.694 11.166 1.00 0.00 C ATOM 1860 CG ASP A 120 5.636 -18.064 11.187 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.240 -18.869 10.315 1.00 0.00 O ATOM 1862 OD2 ASP A 120 4.930 -17.534 12.071 1.00 0.00 O ATOM 0 H ASP A 120 9.486 -16.757 10.824 1.00 0.00 H new ATOM 0 HA ASP A 120 7.015 -16.705 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.695 -18.575 10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.428 -17.429 12.178 1.00 0.00 H new ATOM 1867 N LEU A 121 6.449 -14.379 10.026 1.00 0.00 N ATOM 1868 CA LEU A 121 5.947 -13.098 10.494 1.00 0.00 C ATOM 1869 C LEU A 121 4.419 -13.154 10.577 1.00 0.00 C ATOM 1870 O LEU A 121 3.754 -12.120 10.548 1.00 0.00 O ATOM 1871 CB LEU A 121 6.473 -11.962 9.613 1.00 0.00 C ATOM 1872 CG LEU A 121 6.446 -10.564 10.235 1.00 0.00 C ATOM 1873 CD1 LEU A 121 7.811 -10.198 10.820 1.00 0.00 C ATOM 1874 CD2 LEU A 121 5.957 -9.524 9.226 1.00 0.00 C ATOM 0 H LEU A 121 6.334 -14.543 9.026 1.00 0.00 H new ATOM 0 HA LEU A 121 6.315 -12.888 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.500 -12.193 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.888 -11.941 8.694 1.00 0.00 H new ATOM 0 HG LEU A 121 5.734 -10.571 11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.764 -9.200 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.081 -10.919 11.592 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.562 -10.214 10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.947 -8.540 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.625 -9.510 8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.949 -9.780 8.899 1.00 0.00 H new ATOM 1886 N SER A 122 3.909 -14.372 10.679 1.00 0.00 N ATOM 1887 CA SER A 122 2.473 -14.577 10.768 1.00 0.00 C ATOM 1888 C SER A 122 1.967 -14.152 12.147 1.00 0.00 C ATOM 1889 O SER A 122 0.796 -13.812 12.306 1.00 0.00 O ATOM 1890 CB SER A 122 2.107 -16.038 10.495 1.00 0.00 C ATOM 1891 OG SER A 122 1.264 -16.172 9.354 1.00 0.00 O ATOM 0 H SER A 122 4.464 -15.227 10.702 1.00 0.00 H new ATOM 0 HA SER A 122 1.993 -13.962 10.007 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.017 -16.618 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.605 -16.455 11.368 1.00 0.00 H new ATOM 0 HG SER A 122 1.054 -17.119 9.212 1.00 0.00 H new ATOM 1897 N GLN A 123 2.876 -14.184 13.111 1.00 0.00 N ATOM 1898 CA GLN A 123 2.537 -13.805 14.473 1.00 0.00 C ATOM 1899 C GLN A 123 2.232 -12.307 14.547 1.00 0.00 C ATOM 1900 O GLN A 123 1.715 -11.825 15.554 1.00 0.00 O ATOM 1901 CB GLN A 123 3.657 -14.186 15.443 1.00 0.00 C ATOM 1902 CG GLN A 123 3.254 -13.891 16.889 1.00 0.00 C ATOM 1903 CD GLN A 123 3.322 -15.156 17.746 1.00 0.00 C ATOM 1904 OE1 GLN A 123 3.812 -16.193 17.331 1.00 0.00 O ATOM 1905 NE2 GLN A 123 2.801 -15.014 18.962 1.00 0.00 N ATOM 0 H GLN A 123 3.847 -14.466 12.976 1.00 0.00 H new ATOM 0 HA GLN A 123 1.643 -14.353 14.770 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.891 -15.245 15.336 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.562 -13.633 15.194 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.913 -13.129 17.306 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.243 -13.485 16.913 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.407 -14.117 19.246 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.796 -15.802 19.610 1.00 0.00 H new ATOM 1914 N TYR A 124 2.564 -11.615 13.468 1.00 0.00 N ATOM 1915 CA TYR A 124 2.332 -10.182 13.399 1.00 0.00 C ATOM 1916 C TYR A 124 0.851 -9.877 13.165 1.00 0.00 C ATOM 1917 O TYR A 124 0.345 -8.853 13.623 1.00 0.00 O ATOM 1918 CB TYR A 124 3.139 -9.681 12.199 1.00 0.00 C ATOM 1919 CG TYR A 124 3.831 -8.337 12.432 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.028 -8.286 13.116 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.258 -7.175 11.956 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.679 -7.020 13.335 1.00 0.00 C ATOM 1923 CE2 TYR A 124 3.909 -5.910 12.175 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.088 -5.895 12.853 1.00 0.00 C ATOM 1925 OH TYR A 124 5.703 -4.699 13.060 1.00 0.00 O ATOM 0 H TYR A 124 2.992 -12.019 12.635 1.00 0.00 H new ATOM 0 HA TYR A 124 2.627 -9.700 14.331 1.00 0.00 H new ATOM 0 HB2 TYR A 124 3.892 -10.426 11.944 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.475 -9.592 11.339 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.477 -9.195 13.487 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.322 -7.215 11.419 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.616 -6.966 13.870 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.471 -4.993 11.809 1.00 0.00 H new ATOM 0 HH TYR A 124 5.168 -3.982 12.660 1.00 0.00 H new ATOM 1935 N ILE A 125 0.198 -10.784 12.453 1.00 0.00 N ATOM 1936 CA ILE A 125 -1.215 -10.626 12.153 1.00 0.00 C ATOM 1937 C ILE A 125 -2.035 -11.500 13.104 1.00 0.00 C ATOM 1938 O ILE A 125 -3.167 -11.159 13.445 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.483 -10.906 10.674 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -1.131 -12.352 10.318 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.750 -9.901 9.783 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -2.212 -12.978 9.434 1.00 0.00 C ATOM 0 H ILE A 125 0.622 -11.631 12.075 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.527 -9.595 12.319 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.550 -10.779 10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.172 -12.380 9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.018 -12.938 11.230 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.958 -10.123 8.736 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.092 -8.892 10.015 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.323 -9.971 9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.937 -14.005 9.196 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.165 -12.971 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.305 -12.404 8.512 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.432 -12.609 13.505 1.00 0.00 N ATOM 1955 CA ARG A 126 -2.092 -13.534 14.410 1.00 0.00 C ATOM 1956 C ARG A 126 -2.042 -13.003 15.844 1.00 0.00 C ATOM 1957 O ARG A 126 -0.967 -12.697 16.358 1.00 0.00 O ATOM 1958 CB ARG A 126 -1.436 -14.915 14.362 1.00 0.00 C ATOM 1959 CG ARG A 126 -2.267 -15.944 15.131 1.00 0.00 C ATOM 1960 CD ARG A 126 -1.530 -16.414 16.387 1.00 0.00 C ATOM 1961 NE ARG A 126 -1.950 -17.790 16.736 1.00 0.00 N ATOM 1962 CZ ARG A 126 -3.158 -18.105 17.223 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -4.072 -17.145 17.420 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -3.452 -19.380 17.511 1.00 0.00 N ATOM 0 H ARG A 126 -0.493 -12.888 13.220 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.130 -13.626 14.089 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.325 -15.233 13.325 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.434 -14.860 14.787 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.226 -15.508 15.409 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.480 -16.798 14.489 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.453 -16.385 16.219 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.741 -15.739 17.216 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.278 -18.545 16.597 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.848 -16.175 17.199 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.992 -17.385 17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.756 -20.111 17.360 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.371 -19.620 17.882 1.00 0.00 H new ATOM 1978 N ASN A 127 -3.217 -12.908 16.448 1.00 0.00 N ATOM 1979 CA ASN A 127 -3.319 -12.418 17.812 1.00 0.00 C ATOM 1980 C ASN A 127 -3.146 -10.898 17.819 1.00 0.00 C ATOM 1981 O ASN A 127 -2.749 -10.319 18.828 1.00 0.00 O ATOM 1982 CB ASN A 127 -2.228 -13.022 18.698 1.00 0.00 C ATOM 1983 CG ASN A 127 -2.606 -12.925 20.177 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -2.063 -12.137 20.933 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -3.564 -13.770 20.547 1.00 0.00 N ATOM 0 H ASN A 127 -4.106 -13.162 16.018 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.297 -12.703 18.199 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -2.071 -14.066 18.427 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.285 -12.503 18.525 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -3.886 -13.784 21.515 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -3.977 -14.404 19.863 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.453 -10.295 16.679 1.00 0.00 N ATOM 1993 CA CYS A 128 -3.335 -8.853 16.540 1.00 0.00 C ATOM 1994 C CYS A 128 -4.602 -8.212 17.109 1.00 0.00 C ATOM 1995 O CYS A 128 -4.548 -7.125 17.684 1.00 0.00 O ATOM 1996 CB CYS A 128 -3.091 -8.443 15.087 1.00 0.00 C ATOM 1997 SG CYS A 128 -1.903 -7.067 14.867 1.00 0.00 S ATOM 0 H CYS A 128 -3.783 -10.779 15.844 1.00 0.00 H new ATOM 0 HA CYS A 128 -2.468 -8.500 17.098 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.727 -9.310 14.536 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.043 -8.157 14.640 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.713 -8.911 16.929 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.991 -8.423 17.418 1.00 0.00 C ATOM 2004 C GLY A 129 -7.950 -8.142 16.259 1.00 0.00 C ATOM 2005 O GLY A 129 -8.739 -7.200 16.315 1.00 0.00 O ATOM 0 H GLY A 129 -5.755 -9.811 16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.433 -9.159 18.090 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.839 -7.513 17.998 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.850 -8.976 15.235 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.698 -8.830 14.064 1.00 0.00 C ATOM 2011 C VAL A 130 -9.988 -9.627 14.271 1.00 0.00 C ATOM 2012 O VAL A 130 -9.944 -10.822 14.561 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.932 -9.247 12.807 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -8.894 -9.593 11.669 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.944 -8.160 12.380 1.00 0.00 C ATOM 0 H VAL A 130 -7.194 -9.756 15.192 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.980 -7.786 13.924 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.359 -10.143 13.045 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.324 -9.886 10.787 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.538 -10.417 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.506 -8.723 11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.413 -8.482 11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.486 -7.238 12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.228 -7.984 13.183 1.00 0.00 H new