USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00163 USER MOD Single : A 13 MET CE :methyl 161:sc= -1.03 (180deg=-1.63) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0888 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0539 (180deg=-0.383) USER MOD Single : A 24 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.192 (180deg=-0.557) USER MOD Single : A 33 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.33) USER MOD Single : A 34 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-1.9) USER MOD Single : A 35 CYS SG : rot 67:sc= -3.08! USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 39 ASN :FLIP amide:sc= 0.00464 F(o=-2!,f=0.0046) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.034) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0661 K(o=-0.066,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -148:sc= -1.7 (180deg=-4.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0898 USER MOD Single : A 66 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.197 F(o=-2.3!,f=-0.2) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -120:sc= 0.451 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 87 ASN : amide:sc= -0.0693 X(o=-0.069,f=-0.029) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 97 TYR OH : rot 150:sc= -0.6 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 12.188 -11.891 0.150 1.00 0.00 N ATOM 2 CA ASP A 5 12.501 -10.693 0.920 1.00 0.00 C ATOM 3 C ASP A 5 11.441 -9.622 0.697 1.00 0.00 C ATOM 4 O ASP A 5 10.634 -9.714 -0.229 1.00 0.00 O ATOM 5 CB ASP A 5 13.880 -10.156 0.528 1.00 0.00 C ATOM 6 CG ASP A 5 14.643 -9.592 1.712 1.00 0.00 C ATOM 7 OD1 ASP A 5 14.370 -10.018 2.853 1.00 0.00 O ATOM 8 OD2 ASP A 5 15.515 -8.724 1.496 1.00 0.00 O ATOM 0 HA ASP A 5 12.512 -10.957 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.462 -10.957 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.762 -9.379 -0.227 1.00 0.00 H new ATOM 11 N LEU A 6 11.450 -8.606 1.551 1.00 0.00 N ATOM 12 CA LEU A 6 10.489 -7.513 1.450 1.00 0.00 C ATOM 13 C LEU A 6 10.751 -6.674 0.202 1.00 0.00 C ATOM 14 O LEU A 6 9.822 -6.136 -0.399 1.00 0.00 O ATOM 15 CB LEU A 6 10.554 -6.630 2.698 1.00 0.00 C ATOM 16 CG LEU A 6 9.342 -6.734 3.626 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.680 -6.192 5.006 1.00 0.00 C ATOM 18 CD2 LEU A 6 8.153 -5.992 3.035 1.00 0.00 C ATOM 0 H LEU A 6 12.112 -8.515 2.322 1.00 0.00 H new ATOM 0 HA LEU A 6 9.491 -7.945 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.449 -6.890 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.665 -5.592 2.385 1.00 0.00 H new ATOM 0 HG LEU A 6 9.074 -7.786 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.807 -6.274 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.502 -6.768 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.974 -5.146 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.300 -6.077 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.409 -4.941 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.897 -6.426 2.069 1.00 0.00 H new ATOM 28 N GLY A 7 12.019 -6.571 -0.180 1.00 0.00 N ATOM 29 CA GLY A 7 12.380 -5.800 -1.355 1.00 0.00 C ATOM 30 C GLY A 7 11.889 -6.440 -2.638 1.00 0.00 C ATOM 31 O GLY A 7 11.430 -5.749 -3.547 1.00 0.00 O ATOM 0 H GLY A 7 12.804 -7.008 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.963 -4.796 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.464 -5.693 -1.397 1.00 0.00 H new ATOM 35 N ALA A 8 11.986 -7.765 -2.709 1.00 0.00 N ATOM 36 CA ALA A 8 11.550 -8.502 -3.888 1.00 0.00 C ATOM 37 C ALA A 8 10.048 -8.343 -4.107 1.00 0.00 C ATOM 38 O ALA A 8 9.603 -8.046 -5.216 1.00 0.00 O ATOM 39 CB ALA A 8 11.913 -9.974 -3.753 1.00 0.00 C ATOM 0 H ALA A 8 12.363 -8.349 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 8 12.064 -8.091 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.582 -10.513 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.993 -10.074 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.424 -10.390 -2.872 1.00 0.00 H new ATOM 45 N LEU A 9 9.274 -8.539 -3.044 1.00 0.00 N ATOM 46 CA LEU A 9 7.822 -8.412 -3.121 1.00 0.00 C ATOM 47 C LEU A 9 7.430 -7.011 -3.569 1.00 0.00 C ATOM 48 O LEU A 9 6.610 -6.847 -4.475 1.00 0.00 O ATOM 49 CB LEU A 9 7.186 -8.728 -1.770 1.00 0.00 C ATOM 50 CG LEU A 9 5.658 -8.765 -1.771 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.157 -10.159 -2.113 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.119 -8.320 -0.423 1.00 0.00 C ATOM 0 H LEU A 9 9.627 -8.786 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 9 7.456 -9.128 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.558 -9.693 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.516 -7.983 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 9 5.296 -8.076 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.067 -10.165 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.518 -10.443 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.527 -10.870 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.030 -8.351 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.490 -8.987 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.450 -7.302 -0.217 1.00 0.00 H new ATOM 62 N TYR A 10 8.027 -6.004 -2.938 1.00 0.00 N ATOM 63 CA TYR A 10 7.746 -4.618 -3.282 1.00 0.00 C ATOM 64 C TYR A 10 7.959 -4.394 -4.775 1.00 0.00 C ATOM 65 O TYR A 10 7.128 -3.785 -5.446 1.00 0.00 O ATOM 66 CB TYR A 10 8.641 -3.669 -2.476 1.00 0.00 C ATOM 67 CG TYR A 10 8.608 -2.235 -2.966 1.00 0.00 C ATOM 68 CD1 TYR A 10 9.441 -1.813 -3.997 1.00 0.00 C ATOM 69 CD2 TYR A 10 7.741 -1.308 -2.403 1.00 0.00 C ATOM 70 CE1 TYR A 10 9.408 -0.512 -4.454 1.00 0.00 C ATOM 71 CE2 TYR A 10 7.703 -0.001 -2.854 1.00 0.00 C ATOM 72 CZ TYR A 10 8.538 0.392 -3.880 1.00 0.00 C ATOM 73 OH TYR A 10 8.502 1.691 -4.333 1.00 0.00 O ATOM 0 H TYR A 10 8.707 -6.124 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 10 6.706 -4.406 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.333 -3.693 -1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.668 -4.033 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.126 -2.516 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.086 -1.612 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.060 -0.202 -5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.023 0.708 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 10 7.835 2.197 -3.824 1.00 0.00 H new ATOM 81 N LEU A 11 9.083 -4.891 -5.283 1.00 0.00 N ATOM 82 CA LEU A 11 9.414 -4.748 -6.694 1.00 0.00 C ATOM 83 C LEU A 11 8.337 -5.381 -7.569 1.00 0.00 C ATOM 84 O LEU A 11 8.053 -4.896 -8.664 1.00 0.00 O ATOM 85 CB LEU A 11 10.775 -5.377 -6.990 1.00 0.00 C ATOM 86 CG LEU A 11 11.869 -4.384 -7.385 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.201 -4.785 -6.771 1.00 0.00 C ATOM 88 CD2 LEU A 11 11.983 -4.291 -8.898 1.00 0.00 C ATOM 0 H LEU A 11 9.780 -5.397 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 11 9.463 -3.684 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.104 -5.927 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.656 -6.104 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 11 11.597 -3.401 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.967 -4.067 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.112 -4.799 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.480 -5.778 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.766 -3.580 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.231 -5.271 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.033 -3.955 -9.314 1.00 0.00 H new ATOM 98 N SER A 12 7.732 -6.457 -7.073 1.00 0.00 N ATOM 99 CA SER A 12 6.677 -7.139 -7.813 1.00 0.00 C ATOM 100 C SER A 12 5.478 -6.219 -7.990 1.00 0.00 C ATOM 101 O SER A 12 4.836 -6.217 -9.039 1.00 0.00 O ATOM 102 CB SER A 12 6.256 -8.421 -7.089 1.00 0.00 C ATOM 103 OG SER A 12 7.365 -9.043 -6.463 1.00 0.00 O ATOM 0 H SER A 12 7.953 -6.872 -6.168 1.00 0.00 H new ATOM 0 HA SER A 12 7.063 -7.407 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.497 -8.188 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.802 -9.111 -7.800 1.00 0.00 H new ATOM 0 HG SER A 12 7.068 -9.858 -6.007 1.00 0.00 H new ATOM 107 N MET A 13 5.188 -5.429 -6.958 1.00 0.00 N ATOM 108 CA MET A 13 4.070 -4.489 -7.005 1.00 0.00 C ATOM 109 C MET A 13 4.508 -3.175 -7.640 1.00 0.00 C ATOM 110 O MET A 13 3.678 -2.339 -8.002 1.00 0.00 O ATOM 111 CB MET A 13 3.513 -4.225 -5.601 1.00 0.00 C ATOM 112 CG MET A 13 4.100 -5.119 -4.521 1.00 0.00 C ATOM 113 SD MET A 13 4.207 -4.293 -2.921 1.00 0.00 S ATOM 114 CE MET A 13 2.498 -3.823 -2.670 1.00 0.00 C ATOM 0 H MET A 13 5.710 -5.421 -6.082 1.00 0.00 H new ATOM 0 HA MET A 13 3.283 -4.936 -7.612 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.701 -3.184 -5.337 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.431 -4.359 -5.620 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.487 -6.015 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.095 -5.445 -4.825 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.329 -3.615 -1.613 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.276 -2.931 -3.256 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.846 -4.637 -2.988 1.00 0.00 H new ATOM 120 N LYS A 14 5.819 -3.006 -7.778 1.00 0.00 N ATOM 121 CA LYS A 14 6.385 -1.816 -8.371 1.00 0.00 C ATOM 122 C LYS A 14 6.317 -1.916 -9.894 1.00 0.00 C ATOM 123 O LYS A 14 6.389 -0.911 -10.604 1.00 0.00 O ATOM 124 CB LYS A 14 7.825 -1.658 -7.883 1.00 0.00 C ATOM 125 CG LYS A 14 8.743 -1.031 -8.898 1.00 0.00 C ATOM 126 CD LYS A 14 9.656 0.001 -8.268 1.00 0.00 C ATOM 127 CE LYS A 14 10.864 -0.648 -7.611 1.00 0.00 C ATOM 128 NZ LYS A 14 12.105 0.150 -7.820 1.00 0.00 N ATOM 0 H LYS A 14 6.512 -3.693 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 14 5.818 -0.935 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.828 -1.049 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.216 -2.638 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.344 -1.807 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.150 -0.561 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.990 0.706 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.101 0.574 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.680 -0.760 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.004 -1.650 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.906 -0.326 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.295 0.236 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.981 1.098 -7.410 1.00 0.00 H new ATOM 134 N ASP A 15 6.163 -3.145 -10.382 1.00 0.00 N ATOM 135 CA ASP A 15 6.074 -3.407 -11.814 1.00 0.00 C ATOM 136 C ASP A 15 4.872 -2.690 -12.430 1.00 0.00 C ATOM 137 O ASP A 15 4.198 -1.902 -11.766 1.00 0.00 O ATOM 138 CB ASP A 15 5.981 -4.915 -12.067 1.00 0.00 C ATOM 139 CG ASP A 15 6.407 -5.299 -13.471 1.00 0.00 C ATOM 140 OD1 ASP A 15 7.610 -5.170 -13.782 1.00 0.00 O ATOM 141 OD2 ASP A 15 5.539 -5.730 -14.257 1.00 0.00 O ATOM 0 H ASP A 15 6.097 -3.980 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 15 6.976 -3.021 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.607 -5.440 -11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.956 -5.245 -11.899 1.00 0.00 H new ATOM 144 N THR A 16 4.618 -2.960 -13.706 1.00 0.00 N ATOM 145 CA THR A 16 3.508 -2.330 -14.413 1.00 0.00 C ATOM 146 C THR A 16 2.197 -3.086 -14.204 1.00 0.00 C ATOM 147 O THR A 16 1.415 -2.754 -13.312 1.00 0.00 O ATOM 148 CB THR A 16 3.796 -2.223 -15.922 1.00 0.00 C ATOM 149 OG1 THR A 16 4.667 -3.283 -16.332 1.00 0.00 O ATOM 150 CG2 THR A 16 4.430 -0.882 -16.259 1.00 0.00 C ATOM 0 H THR A 16 5.165 -3.610 -14.271 1.00 0.00 H new ATOM 0 HA THR A 16 3.403 -1.329 -13.994 1.00 0.00 H new ATOM 0 HB THR A 16 2.849 -2.304 -16.455 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.843 -3.208 -17.293 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.624 -0.830 -17.330 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.752 -0.077 -15.974 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.368 -0.776 -15.715 1.00 0.00 H new ATOM 158 N GLU A 17 1.950 -4.091 -15.043 1.00 0.00 N ATOM 159 CA GLU A 17 0.724 -4.878 -14.956 1.00 0.00 C ATOM 160 C GLU A 17 0.843 -5.980 -13.909 1.00 0.00 C ATOM 161 O GLU A 17 -0.124 -6.290 -13.211 1.00 0.00 O ATOM 162 CB GLU A 17 0.390 -5.492 -16.317 1.00 0.00 C ATOM 163 CG GLU A 17 -1.072 -5.880 -16.465 1.00 0.00 C ATOM 164 CD GLU A 17 -1.251 -7.268 -17.043 1.00 0.00 C ATOM 165 OE1 GLU A 17 -1.241 -8.243 -16.263 1.00 0.00 O ATOM 166 OE2 GLU A 17 -1.399 -7.382 -18.278 1.00 0.00 O ATOM 0 H GLU A 17 2.583 -4.378 -15.790 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.080 -4.206 -14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.650 -4.781 -17.101 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.009 -6.376 -16.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.557 -5.831 -15.490 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.573 -5.156 -17.107 1.00 0.00 H new ATOM 169 N LYS A 18 2.027 -6.572 -13.809 1.00 0.00 N ATOM 170 CA LYS A 18 2.268 -7.646 -12.852 1.00 0.00 C ATOM 171 C LYS A 18 1.968 -7.191 -11.426 1.00 0.00 C ATOM 172 O LYS A 18 1.436 -7.955 -10.622 1.00 0.00 O ATOM 173 CB LYS A 18 3.715 -8.130 -12.956 1.00 0.00 C ATOM 174 CG LYS A 18 3.862 -9.449 -13.698 1.00 0.00 C ATOM 175 CD LYS A 18 4.742 -9.300 -14.929 1.00 0.00 C ATOM 176 CE LYS A 18 4.272 -10.196 -16.064 1.00 0.00 C ATOM 177 NZ LYS A 18 5.096 -10.017 -17.292 1.00 0.00 N ATOM 0 H LYS A 18 2.836 -6.326 -14.379 1.00 0.00 H new ATOM 0 HA LYS A 18 1.597 -8.470 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.309 -7.369 -13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.126 -8.239 -11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.291 -10.197 -13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.878 -9.813 -13.994 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.735 -8.261 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.772 -9.547 -14.673 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.316 -11.238 -15.746 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.229 -9.976 -16.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.743 -10.646 -18.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.034 -9.029 -17.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.087 -10.251 -17.082 1.00 0.00 H new ATOM 183 N GLY A 19 2.312 -5.943 -11.120 1.00 0.00 N ATOM 184 CA GLY A 19 2.071 -5.413 -9.789 1.00 0.00 C ATOM 185 C GLY A 19 0.718 -4.741 -9.658 1.00 0.00 C ATOM 186 O GLY A 19 -0.191 -5.000 -10.448 1.00 0.00 O ATOM 0 H GLY A 19 2.752 -5.290 -11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.141 -6.223 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.853 -4.695 -9.542 1.00 0.00 H new ATOM 190 N ILE A 20 0.587 -3.873 -8.659 1.00 0.00 N ATOM 191 CA ILE A 20 -0.663 -3.156 -8.423 1.00 0.00 C ATOM 192 C ILE A 20 -0.973 -2.204 -9.575 1.00 0.00 C ATOM 193 O ILE A 20 -0.210 -2.110 -10.536 1.00 0.00 O ATOM 194 CB ILE A 20 -0.616 -2.351 -7.105 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.376 -1.193 -7.221 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.248 -3.253 -5.934 1.00 0.00 C ATOM 197 CD1 ILE A 20 -0.229 0.150 -6.883 1.00 0.00 C ATOM 0 H ILE A 20 1.332 -3.649 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.449 -3.908 -8.350 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.609 -1.940 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.221 -1.380 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.769 -1.161 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.221 -2.665 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.992 -4.044 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.732 -3.696 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.529 0.927 -6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.056 0.358 -7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.597 0.135 -5.857 1.00 0.00 H new ATOM 207 N LYS A 21 -2.095 -1.500 -9.468 1.00 0.00 N ATOM 208 CA LYS A 21 -2.502 -0.552 -10.500 1.00 0.00 C ATOM 209 C LYS A 21 -1.969 0.844 -10.194 1.00 0.00 C ATOM 210 O LYS A 21 -2.737 1.785 -9.997 1.00 0.00 O ATOM 211 CB LYS A 21 -4.028 -0.521 -10.623 1.00 0.00 C ATOM 212 CG LYS A 21 -4.656 -1.897 -10.780 1.00 0.00 C ATOM 213 CD LYS A 21 -4.341 -2.501 -12.139 1.00 0.00 C ATOM 214 CE LYS A 21 -5.212 -3.714 -12.426 1.00 0.00 C ATOM 215 NZ LYS A 21 -6.647 -3.343 -12.573 1.00 0.00 N ATOM 0 H LYS A 21 -2.738 -1.567 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.079 -0.880 -11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.445 -0.040 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.302 0.094 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.290 -2.557 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.736 -1.821 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.493 -1.751 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.290 -2.789 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.867 -4.201 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.105 -4.438 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.149 -4.095 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.073 -3.224 -11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.723 -2.451 -13.103 1.00 0.00 H new ATOM 221 N GLU A 22 -0.645 0.964 -10.155 1.00 0.00 N ATOM 222 CA GLU A 22 0.007 2.236 -9.874 1.00 0.00 C ATOM 223 C GLU A 22 -0.470 3.320 -10.834 1.00 0.00 C ATOM 224 O GLU A 22 -0.083 3.344 -12.003 1.00 0.00 O ATOM 225 CB GLU A 22 1.528 2.089 -9.966 1.00 0.00 C ATOM 226 CG GLU A 22 1.989 1.208 -11.117 1.00 0.00 C ATOM 227 CD GLU A 22 3.448 1.425 -11.469 1.00 0.00 C ATOM 228 OE1 GLU A 22 4.309 1.204 -10.592 1.00 0.00 O ATOM 229 OE2 GLU A 22 3.729 1.814 -12.622 1.00 0.00 O ATOM 0 H GLU A 22 -0.001 0.190 -10.316 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.261 2.533 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.974 3.078 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.901 1.673 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.834 0.162 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.374 1.410 -11.994 1.00 0.00 H new ATOM 232 N LEU A 23 -1.313 4.215 -10.332 1.00 0.00 N ATOM 233 CA LEU A 23 -1.848 5.302 -11.143 1.00 0.00 C ATOM 234 C LEU A 23 -1.538 6.659 -10.519 1.00 0.00 C ATOM 235 O LEU A 23 -1.769 6.873 -9.329 1.00 0.00 O ATOM 236 CB LEU A 23 -3.360 5.141 -11.310 1.00 0.00 C ATOM 237 CG LEU A 23 -3.848 5.068 -12.756 1.00 0.00 C ATOM 238 CD1 LEU A 23 -3.579 3.690 -13.333 1.00 0.00 C ATOM 239 CD2 LEU A 23 -5.330 5.401 -12.835 1.00 0.00 C ATOM 0 H LEU A 23 -1.641 4.209 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.370 5.258 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.673 4.235 -10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.855 5.978 -10.817 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.300 5.803 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.932 3.652 -14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.508 3.488 -13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.104 2.939 -12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.661 5.344 -13.872 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.895 4.689 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.497 6.409 -12.455 1.00 0.00 H new ATOM 249 N ASN A 24 -1.019 7.572 -11.334 1.00 0.00 N ATOM 250 CA ASN A 24 -0.681 8.913 -10.868 1.00 0.00 C ATOM 251 C ASN A 24 -1.935 9.668 -10.444 1.00 0.00 C ATOM 252 O ASN A 24 -2.751 10.058 -11.281 1.00 0.00 O ATOM 253 CB ASN A 24 0.051 9.689 -11.965 1.00 0.00 C ATOM 254 CG ASN A 24 1.261 8.943 -12.492 1.00 0.00 C ATOM 255 OD1 ASN A 24 2.139 8.542 -11.729 1.00 0.00 O ATOM 256 ND2 ASN A 24 1.313 8.755 -13.806 1.00 0.00 N ATOM 0 H ASN A 24 -0.823 7.408 -12.321 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.024 8.818 -10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.637 9.887 -12.787 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.366 10.656 -11.573 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.104 8.261 -14.220 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.562 9.105 -14.401 1.00 0.00 H new ATOM 261 N LEU A 25 -2.087 9.866 -9.139 1.00 0.00 N ATOM 262 CA LEU A 25 -3.246 10.569 -8.601 1.00 0.00 C ATOM 263 C LEU A 25 -2.910 12.025 -8.298 1.00 0.00 C ATOM 264 O LEU A 25 -2.028 12.313 -7.488 1.00 0.00 O ATOM 265 CB LEU A 25 -3.736 9.872 -7.331 1.00 0.00 C ATOM 266 CG LEU A 25 -5.255 9.765 -7.189 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.651 8.355 -6.777 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.768 10.779 -6.180 1.00 0.00 C ATOM 0 H LEU A 25 -1.422 9.549 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.036 10.549 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.313 8.868 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.344 10.409 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.709 9.983 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.735 8.295 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.315 7.647 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.187 8.112 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.851 10.689 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.308 10.592 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.514 11.785 -6.514 1.00 0.00 H new ATOM 278 N GLU A 26 -3.620 12.940 -8.952 1.00 0.00 N ATOM 279 CA GLU A 26 -3.399 14.368 -8.749 1.00 0.00 C ATOM 280 C GLU A 26 -4.620 15.018 -8.109 1.00 0.00 C ATOM 281 O GLU A 26 -5.726 14.944 -8.647 1.00 0.00 O ATOM 282 CB GLU A 26 -3.079 15.049 -10.081 1.00 0.00 C ATOM 283 CG GLU A 26 -2.598 16.483 -9.930 1.00 0.00 C ATOM 284 CD GLU A 26 -3.534 17.482 -10.582 1.00 0.00 C ATOM 285 OE1 GLU A 26 -4.704 17.566 -10.153 1.00 0.00 O ATOM 286 OE2 GLU A 26 -3.097 18.180 -11.521 1.00 0.00 O ATOM 0 H GLU A 26 -4.352 12.718 -9.626 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.551 14.490 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.315 14.471 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.970 15.037 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.500 16.720 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.606 16.578 -10.371 1.00 0.00 H new ATOM 289 N LYS A 27 -4.415 15.655 -6.960 1.00 0.00 N ATOM 290 CA LYS A 27 -5.503 16.317 -6.249 1.00 0.00 C ATOM 291 C LYS A 27 -5.671 17.759 -6.724 1.00 0.00 C ATOM 292 O LYS A 27 -6.386 18.022 -7.691 1.00 0.00 O ATOM 293 CB LYS A 27 -5.253 16.280 -4.739 1.00 0.00 C ATOM 294 CG LYS A 27 -6.485 16.607 -3.912 1.00 0.00 C ATOM 295 CD LYS A 27 -7.358 15.379 -3.706 1.00 0.00 C ATOM 296 CE LYS A 27 -7.101 14.737 -2.352 1.00 0.00 C ATOM 297 NZ LYS A 27 -8.191 13.800 -1.965 1.00 0.00 N ATOM 0 H LYS A 27 -3.506 15.727 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.426 15.779 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.892 15.289 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.461 16.988 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.180 17.005 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.062 17.386 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.408 15.660 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.163 14.655 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.153 14.199 -2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.005 15.515 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.977 13.384 -1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.092 14.317 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.266 13.043 -2.674 1.00 0.00 H new ATOM 303 N ASP A 28 -5.011 18.692 -6.037 1.00 0.00 N ATOM 304 CA ASP A 28 -5.094 20.104 -6.394 1.00 0.00 C ATOM 305 C ASP A 28 -3.717 20.662 -6.737 1.00 0.00 C ATOM 306 O ASP A 28 -3.449 21.015 -7.885 1.00 0.00 O ATOM 307 CB ASP A 28 -5.711 20.907 -5.247 1.00 0.00 C ATOM 308 CG ASP A 28 -7.141 21.321 -5.534 1.00 0.00 C ATOM 309 OD1 ASP A 28 -7.335 22.333 -6.240 1.00 0.00 O ATOM 310 OD2 ASP A 28 -8.066 20.633 -5.052 1.00 0.00 O ATOM 0 H ASP A 28 -4.415 18.494 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.731 20.192 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.684 20.311 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.108 21.796 -5.064 1.00 0.00 H new ATOM 313 N LYS A 29 -2.851 20.742 -5.732 1.00 0.00 N ATOM 314 CA LYS A 29 -1.503 21.262 -5.924 1.00 0.00 C ATOM 315 C LYS A 29 -0.457 20.198 -5.608 1.00 0.00 C ATOM 316 O LYS A 29 0.726 20.502 -5.461 1.00 0.00 O ATOM 317 CB LYS A 29 -1.282 22.491 -5.042 1.00 0.00 C ATOM 318 CG LYS A 29 -0.493 23.595 -5.726 1.00 0.00 C ATOM 319 CD LYS A 29 0.860 23.800 -5.067 1.00 0.00 C ATOM 320 CE LYS A 29 1.674 24.861 -5.789 1.00 0.00 C ATOM 321 NZ LYS A 29 2.649 25.527 -4.882 1.00 0.00 N ATOM 0 H LYS A 29 -3.059 20.453 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.395 21.548 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.250 22.885 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.757 22.188 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.353 23.346 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.061 24.525 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.719 24.093 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.410 22.859 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.207 24.404 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.002 25.608 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.184 26.244 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.139 25.985 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.306 24.818 -4.498 1.00 0.00 H new ATOM 327 N LYS A 30 -0.902 18.950 -5.504 1.00 0.00 N ATOM 328 CA LYS A 30 -0.003 17.842 -5.205 1.00 0.00 C ATOM 329 C LYS A 30 -0.204 16.696 -6.190 1.00 0.00 C ATOM 330 O LYS A 30 -1.330 16.392 -6.584 1.00 0.00 O ATOM 331 CB LYS A 30 -0.228 17.343 -3.776 1.00 0.00 C ATOM 332 CG LYS A 30 0.713 17.970 -2.761 1.00 0.00 C ATOM 333 CD LYS A 30 0.748 17.174 -1.466 1.00 0.00 C ATOM 334 CE LYS A 30 1.632 17.843 -0.426 1.00 0.00 C ATOM 335 NZ LYS A 30 1.303 19.286 -0.263 1.00 0.00 N ATOM 0 H LYS A 30 -1.879 18.681 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 30 1.020 18.205 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.257 17.553 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.105 16.260 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.717 18.027 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.396 18.992 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.264 17.071 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.117 16.168 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.516 17.334 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.677 17.740 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.707 19.636 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.701 19.825 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.270 19.407 -0.246 1.00 0.00 H new ATOM 341 N ILE A 31 0.897 16.063 -6.584 1.00 0.00 N ATOM 342 CA ILE A 31 0.844 14.950 -7.521 1.00 0.00 C ATOM 343 C ILE A 31 1.309 13.656 -6.861 1.00 0.00 C ATOM 344 O ILE A 31 2.475 13.276 -6.966 1.00 0.00 O ATOM 345 CB ILE A 31 1.708 15.220 -8.766 1.00 0.00 C ATOM 346 CG1 ILE A 31 1.387 16.597 -9.342 1.00 0.00 C ATOM 347 CG2 ILE A 31 1.487 14.139 -9.813 1.00 0.00 C ATOM 348 CD1 ILE A 31 2.615 17.378 -9.738 1.00 0.00 C ATOM 0 H ILE A 31 1.836 16.303 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.196 14.845 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 31 2.757 15.202 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.744 16.478 -10.214 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.823 17.169 -8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.106 14.346 -10.686 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.759 13.169 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.437 14.126 -10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.317 18.346 -10.140 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.249 17.527 -8.864 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.168 16.825 -10.497 1.00 0.00 H new ATOM 358 N PHE A 32 0.388 12.983 -6.180 1.00 0.00 N ATOM 359 CA PHE A 32 0.701 11.731 -5.501 1.00 0.00 C ATOM 360 C PHE A 32 1.097 10.656 -6.507 1.00 0.00 C ATOM 361 O PHE A 32 0.256 10.155 -7.255 1.00 0.00 O ATOM 362 CB PHE A 32 -0.497 11.260 -4.675 1.00 0.00 C ATOM 363 CG PHE A 32 -1.039 12.314 -3.752 1.00 0.00 C ATOM 364 CD1 PHE A 32 -0.245 12.858 -2.757 1.00 0.00 C ATOM 365 CD2 PHE A 32 -2.344 12.759 -3.883 1.00 0.00 C ATOM 366 CE1 PHE A 32 -0.741 13.828 -1.907 1.00 0.00 C ATOM 367 CE2 PHE A 32 -2.847 13.729 -3.037 1.00 0.00 C ATOM 368 CZ PHE A 32 -2.045 14.265 -2.048 1.00 0.00 C ATOM 0 H PHE A 32 -0.582 13.284 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 32 1.544 11.907 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.289 10.937 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.204 10.390 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.775 12.520 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.975 12.343 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.111 14.244 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.866 14.068 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.436 15.024 -1.386 1.00 0.00 H new ATOM 376 N ASN A 33 2.379 10.308 -6.520 1.00 0.00 N ATOM 377 CA ASN A 33 2.884 9.292 -7.436 1.00 0.00 C ATOM 378 C ASN A 33 2.303 7.921 -7.105 1.00 0.00 C ATOM 379 O ASN A 33 2.603 7.344 -6.059 1.00 0.00 O ATOM 380 CB ASN A 33 4.412 9.237 -7.381 1.00 0.00 C ATOM 381 CG ASN A 33 5.037 10.614 -7.270 1.00 0.00 C ATOM 382 OD1 ASN A 33 5.396 11.060 -6.180 1.00 0.00 O ATOM 383 ND2 ASN A 33 5.172 11.295 -8.403 1.00 0.00 N ATOM 0 H ASN A 33 3.087 10.714 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 33 2.573 9.564 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.720 8.631 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.787 8.742 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.587 12.227 -8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.860 10.886 -9.284 1.00 0.00 H new ATOM 388 N HIS A 34 1.471 7.411 -8.008 1.00 0.00 N ATOM 389 CA HIS A 34 0.840 6.108 -7.827 1.00 0.00 C ATOM 390 C HIS A 34 0.135 6.025 -6.478 1.00 0.00 C ATOM 391 O HIS A 34 0.570 5.297 -5.587 1.00 0.00 O ATOM 392 CB HIS A 34 1.881 4.991 -7.942 1.00 0.00 C ATOM 393 CG HIS A 34 2.878 5.205 -9.040 1.00 0.00 C ATOM 394 ND1 HIS A 34 2.519 5.497 -10.338 1.00 0.00 N ATOM 395 CD2 HIS A 34 4.233 5.168 -9.025 1.00 0.00 C ATOM 396 CE1 HIS A 34 3.608 5.628 -11.075 1.00 0.00 C ATOM 397 NE2 HIS A 34 4.659 5.434 -10.302 1.00 0.00 N ATOM 0 H HIS A 34 1.217 7.883 -8.876 1.00 0.00 H new ATOM 0 HA HIS A 34 0.095 5.983 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.412 4.903 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.368 4.044 -8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.860 4.967 -8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.633 5.855 -12.131 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.632 5.475 -10.605 1.00 0.00 H new ATOM 404 N CYS A 35 -0.958 6.770 -6.332 1.00 0.00 N ATOM 405 CA CYS A 35 -1.718 6.767 -5.086 1.00 0.00 C ATOM 406 C CYS A 35 -2.869 5.772 -5.159 1.00 0.00 C ATOM 407 O CYS A 35 -3.667 5.798 -6.097 1.00 0.00 O ATOM 408 CB CYS A 35 -2.248 8.168 -4.773 1.00 0.00 C ATOM 409 SG CYS A 35 -3.814 8.184 -3.867 1.00 0.00 S ATOM 0 H CYS A 35 -1.335 7.380 -7.057 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.048 6.462 -4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.499 8.706 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.377 8.713 -5.708 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.629 7.706 -2.672 1.00 0.00 H new ATOM 413 N PHE A 36 -2.942 4.893 -4.167 1.00 0.00 N ATOM 414 CA PHE A 36 -3.989 3.882 -4.120 1.00 0.00 C ATOM 415 C PHE A 36 -4.502 3.692 -2.697 1.00 0.00 C ATOM 416 O PHE A 36 -4.147 4.449 -1.795 1.00 0.00 O ATOM 417 CB PHE A 36 -3.468 2.551 -4.675 1.00 0.00 C ATOM 418 CG PHE A 36 -2.065 2.201 -4.239 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.967 2.834 -4.803 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.846 1.229 -3.275 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.317 2.506 -4.412 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.563 0.897 -2.884 1.00 0.00 C ATOM 423 CZ PHE A 36 0.519 1.536 -3.454 1.00 0.00 C ATOM 0 H PHE A 36 -2.288 4.860 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.818 4.225 -4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.142 1.753 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.499 2.588 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.118 3.592 -5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.688 0.725 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.162 3.010 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.407 0.137 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.522 1.277 -3.150 1.00 0.00 H new ATOM 431 N THR A 37 -5.340 2.678 -2.503 1.00 0.00 N ATOM 432 CA THR A 37 -5.900 2.392 -1.188 1.00 0.00 C ATOM 433 C THR A 37 -5.134 1.265 -0.502 1.00 0.00 C ATOM 434 O THR A 37 -4.327 0.579 -1.129 1.00 0.00 O ATOM 435 CB THR A 37 -7.387 2.004 -1.280 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.542 0.850 -2.113 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.212 3.154 -1.838 1.00 0.00 C ATOM 0 H THR A 37 -5.645 2.042 -3.239 1.00 0.00 H new ATOM 0 HA THR A 37 -5.809 3.305 -0.599 1.00 0.00 H new ATOM 0 HB THR A 37 -7.743 1.776 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.490 0.609 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.259 2.857 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.115 4.021 -1.185 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.853 3.409 -2.835 1.00 0.00 H new ATOM 445 N GLY A 38 -5.394 1.082 0.789 1.00 0.00 N ATOM 446 CA GLY A 38 -4.724 0.038 1.541 1.00 0.00 C ATOM 447 C GLY A 38 -5.294 -1.339 1.262 1.00 0.00 C ATOM 448 O GLY A 38 -4.552 -2.319 1.175 1.00 0.00 O ATOM 0 H GLY A 38 -6.057 1.639 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.662 0.044 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.807 0.252 2.606 1.00 0.00 H new ATOM 452 N ASN A 39 -6.615 -1.413 1.123 1.00 0.00 N ATOM 453 CA ASN A 39 -7.289 -2.681 0.853 1.00 0.00 C ATOM 454 C ASN A 39 -6.864 -3.256 -0.496 1.00 0.00 C ATOM 455 O ASN A 39 -6.974 -4.460 -0.729 1.00 0.00 O ATOM 456 CB ASN A 39 -8.806 -2.488 0.882 1.00 0.00 C ATOM 457 CG ASN A 39 -9.556 -3.805 0.912 1.00 0.00 C ATOM 458 OD1 ASN A 39 -9.276 -4.622 1.922 1.00 0.00 O flip ATOM 459 ND2 ASN A 39 -10.374 -4.087 0.036 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.240 -0.610 1.193 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.000 -3.388 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.078 -1.898 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.114 -1.918 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.558 -3.429 -0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.868 -4.979 0.068 1.00 0.00 H new ATOM 464 N CYS A 40 -6.382 -2.388 -1.380 1.00 0.00 N ATOM 465 CA CYS A 40 -5.942 -2.808 -2.706 1.00 0.00 C ATOM 466 C CYS A 40 -4.747 -3.749 -2.610 1.00 0.00 C ATOM 467 O CYS A 40 -4.747 -4.828 -3.201 1.00 0.00 O ATOM 468 CB CYS A 40 -5.578 -1.589 -3.556 1.00 0.00 C ATOM 469 SG CYS A 40 -5.418 -1.940 -5.322 1.00 0.00 S ATOM 0 H CYS A 40 -6.286 -1.388 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.765 -3.342 -3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.340 -0.822 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.638 -1.174 -3.193 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.111 -0.847 -5.956 1.00 0.00 H new ATOM 473 N VAL A 41 -3.729 -3.333 -1.860 1.00 0.00 N ATOM 474 CA VAL A 41 -2.527 -4.139 -1.684 1.00 0.00 C ATOM 475 C VAL A 41 -2.861 -5.493 -1.066 1.00 0.00 C ATOM 476 O VAL A 41 -2.264 -6.510 -1.416 1.00 0.00 O ATOM 477 CB VAL A 41 -1.497 -3.421 -0.790 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.227 -4.249 -0.659 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.182 -2.041 -1.344 1.00 0.00 C ATOM 0 H VAL A 41 -3.714 -2.441 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.097 -4.289 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.929 -3.303 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.486 -3.723 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.467 -5.215 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.210 -4.403 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.453 -1.548 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.772 -2.137 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.095 -1.446 -1.380 1.00 0.00 H new ATOM 489 N ILE A 42 -3.816 -5.494 -0.142 1.00 0.00 N ATOM 490 CA ILE A 42 -4.231 -6.720 0.529 1.00 0.00 C ATOM 491 C ILE A 42 -4.832 -7.714 -0.461 1.00 0.00 C ATOM 492 O ILE A 42 -4.530 -8.906 -0.416 1.00 0.00 O ATOM 493 CB ILE A 42 -5.262 -6.437 1.642 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.903 -5.156 2.400 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.350 -7.617 2.598 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.612 -5.243 3.187 1.00 0.00 C ATOM 0 H ILE A 42 -4.317 -4.658 0.159 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.335 -7.150 0.976 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.238 -6.296 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.827 -4.335 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.716 -4.911 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.081 -7.401 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.657 -8.508 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.375 -7.789 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.430 -4.295 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.689 -6.041 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.786 -5.455 2.508 1.00 0.00 H new ATOM 506 N ASP A 43 -5.684 -7.215 -1.351 1.00 0.00 N ATOM 507 CA ASP A 43 -6.330 -8.061 -2.350 1.00 0.00 C ATOM 508 C ASP A 43 -5.323 -8.574 -3.377 1.00 0.00 C ATOM 509 O ASP A 43 -5.364 -9.740 -3.770 1.00 0.00 O ATOM 510 CB ASP A 43 -7.447 -7.290 -3.055 1.00 0.00 C ATOM 511 CG ASP A 43 -8.497 -8.205 -3.653 1.00 0.00 C ATOM 512 OD1 ASP A 43 -8.134 -9.060 -4.487 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.683 -8.067 -3.286 1.00 0.00 O ATOM 0 H ASP A 43 -5.943 -6.230 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.757 -8.921 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.922 -6.614 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.016 -6.673 -3.843 1.00 0.00 H new ATOM 516 N TRP A 44 -4.421 -7.696 -3.809 1.00 0.00 N ATOM 517 CA TRP A 44 -3.405 -8.062 -4.790 1.00 0.00 C ATOM 518 C TRP A 44 -2.489 -9.152 -4.241 1.00 0.00 C ATOM 519 O TRP A 44 -2.196 -10.133 -4.925 1.00 0.00 O ATOM 520 CB TRP A 44 -2.584 -6.833 -5.186 1.00 0.00 C ATOM 521 CG TRP A 44 -1.536 -7.117 -6.220 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.702 -7.134 -7.576 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.158 -7.423 -5.983 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.514 -7.429 -8.193 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.451 -7.612 -7.237 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.621 -7.555 -4.830 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.801 -7.925 -7.371 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.960 -7.866 -4.963 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.541 -8.046 -6.225 1.00 0.00 C ATOM 0 H TRP A 44 -4.374 -6.727 -3.495 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.909 -8.451 -5.675 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.257 -6.064 -5.565 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.103 -6.426 -4.296 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.634 -6.943 -8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.371 -7.501 -9.200 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.184 -7.416 -3.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.248 -8.067 -8.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.570 -7.972 -4.078 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.592 -8.285 -6.295 1.00 0.00 H new ATOM 538 N LEU A 45 -2.046 -8.975 -2.999 1.00 0.00 N ATOM 539 CA LEU A 45 -1.170 -9.945 -2.351 1.00 0.00 C ATOM 540 C LEU A 45 -1.895 -11.272 -2.154 1.00 0.00 C ATOM 541 O LEU A 45 -1.345 -12.341 -2.416 1.00 0.00 O ATOM 542 CB LEU A 45 -0.692 -9.406 -1.002 1.00 0.00 C ATOM 543 CG LEU A 45 0.788 -9.022 -0.941 1.00 0.00 C ATOM 544 CD1 LEU A 45 1.002 -7.625 -1.499 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.298 -9.105 0.488 1.00 0.00 C ATOM 0 H LEU A 45 -2.280 -8.168 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.305 -10.112 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.289 -8.530 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.887 -10.159 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 45 1.351 -9.726 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.061 -7.371 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.672 -7.593 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.427 -6.907 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.352 -8.829 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.728 -8.422 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.180 -10.124 0.858 1.00 0.00 H new ATOM 555 N VAL A 46 -3.139 -11.186 -1.693 1.00 0.00 N ATOM 556 CA VAL A 46 -3.959 -12.368 -1.457 1.00 0.00 C ATOM 557 C VAL A 46 -4.202 -13.127 -2.762 1.00 0.00 C ATOM 558 O VAL A 46 -4.369 -14.348 -2.761 1.00 0.00 O ATOM 559 CB VAL A 46 -5.306 -11.971 -0.806 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.375 -13.036 -1.015 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.115 -11.696 0.676 1.00 0.00 C ATOM 0 H VAL A 46 -3.603 -10.304 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.422 -13.025 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.652 -11.061 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.304 -12.717 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.542 -13.179 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.045 -13.975 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.071 -11.418 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.734 -12.592 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.403 -10.881 0.806 1.00 0.00 H new ATOM 571 N SER A 47 -4.206 -12.397 -3.874 1.00 0.00 N ATOM 572 CA SER A 47 -4.418 -12.999 -5.185 1.00 0.00 C ATOM 573 C SER A 47 -3.194 -13.793 -5.624 1.00 0.00 C ATOM 574 O SER A 47 -3.291 -14.687 -6.467 1.00 0.00 O ATOM 575 CB SER A 47 -4.741 -11.920 -6.219 1.00 0.00 C ATOM 576 OG SER A 47 -4.454 -12.368 -7.532 1.00 0.00 O ATOM 0 H SER A 47 -4.065 -11.387 -3.892 1.00 0.00 H new ATOM 0 HA SER A 47 -5.263 -13.683 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.794 -11.647 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.163 -11.021 -6.004 1.00 0.00 H new ATOM 0 HG SER A 47 -4.671 -11.660 -8.174 1.00 0.00 H new ATOM 580 N ASN A 48 -2.040 -13.466 -5.048 1.00 0.00 N ATOM 581 CA ASN A 48 -0.796 -14.151 -5.381 1.00 0.00 C ATOM 582 C ASN A 48 -0.553 -15.326 -4.440 1.00 0.00 C ATOM 583 O ASN A 48 -1.419 -15.681 -3.639 1.00 0.00 O ATOM 584 CB ASN A 48 0.384 -13.178 -5.314 1.00 0.00 C ATOM 585 CG ASN A 48 1.329 -13.337 -6.490 1.00 0.00 C ATOM 586 OD1 ASN A 48 0.969 -13.059 -7.633 1.00 0.00 O ATOM 587 ND2 ASN A 48 2.549 -13.787 -6.214 1.00 0.00 N ATOM 0 H ASN A 48 -1.941 -12.730 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.884 -14.534 -6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.008 -12.155 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.932 -13.339 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.228 -13.914 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.806 -14.006 -5.251 1.00 0.00 H new ATOM 592 N GLN A 49 0.630 -15.925 -4.543 1.00 0.00 N ATOM 593 CA GLN A 49 0.986 -17.062 -3.701 1.00 0.00 C ATOM 594 C GLN A 49 1.581 -16.592 -2.376 1.00 0.00 C ATOM 595 O GLN A 49 1.905 -17.402 -1.508 1.00 0.00 O ATOM 596 CB GLN A 49 1.981 -17.971 -4.425 1.00 0.00 C ATOM 597 CG GLN A 49 1.377 -18.718 -5.604 1.00 0.00 C ATOM 598 CD GLN A 49 0.922 -20.116 -5.237 1.00 0.00 C ATOM 599 OE1 GLN A 49 -0.272 -20.376 -5.092 1.00 0.00 O ATOM 600 NE2 GLN A 49 1.877 -21.028 -5.082 1.00 0.00 N ATOM 0 H GLN A 49 1.357 -15.642 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 49 0.076 -17.625 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.819 -17.370 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.383 -18.694 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.528 -18.154 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.112 -18.778 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.855 -20.769 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.632 -21.986 -4.833 1.00 0.00 H new ATOM 605 N SER A 50 1.721 -15.276 -2.229 1.00 0.00 N ATOM 606 CA SER A 50 2.278 -14.697 -1.011 1.00 0.00 C ATOM 607 C SER A 50 1.383 -14.997 0.188 1.00 0.00 C ATOM 608 O SER A 50 1.798 -15.670 1.132 1.00 0.00 O ATOM 609 CB SER A 50 2.445 -13.185 -1.172 1.00 0.00 C ATOM 610 OG SER A 50 3.071 -12.616 -0.034 1.00 0.00 O ATOM 0 H SER A 50 1.456 -14.592 -2.938 1.00 0.00 H new ATOM 0 HA SER A 50 3.255 -15.146 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.039 -12.974 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.470 -12.722 -1.324 1.00 0.00 H new ATOM 0 HG SER A 50 3.168 -11.649 -0.163 1.00 0.00 H new ATOM 614 N VAL A 51 0.151 -14.497 0.140 1.00 0.00 N ATOM 615 CA VAL A 51 -0.807 -14.716 1.216 1.00 0.00 C ATOM 616 C VAL A 51 -2.097 -15.318 0.680 1.00 0.00 C ATOM 617 O VAL A 51 -2.283 -15.437 -0.532 1.00 0.00 O ATOM 618 CB VAL A 51 -1.143 -13.409 1.959 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.057 -12.912 2.748 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.623 -12.344 0.983 1.00 0.00 C ATOM 0 H VAL A 51 -0.206 -13.937 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.338 -15.408 1.915 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.949 -13.617 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.204 -11.988 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.349 -13.666 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.888 -12.725 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.855 -11.429 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.841 -12.142 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.517 -12.697 0.470 1.00 0.00 H new ATOM 630 N ARG A 52 -2.990 -15.684 1.589 1.00 0.00 N ATOM 631 CA ARG A 52 -4.272 -16.263 1.215 1.00 0.00 C ATOM 632 C ARG A 52 -5.413 -15.484 1.853 1.00 0.00 C ATOM 633 O ARG A 52 -6.319 -15.014 1.168 1.00 0.00 O ATOM 634 CB ARG A 52 -4.336 -17.733 1.637 1.00 0.00 C ATOM 635 CG ARG A 52 -5.064 -18.621 0.640 1.00 0.00 C ATOM 636 CD ARG A 52 -4.252 -18.815 -0.630 1.00 0.00 C ATOM 637 NE ARG A 52 -4.938 -18.279 -1.804 1.00 0.00 N ATOM 638 CZ ARG A 52 -4.682 -18.664 -3.051 1.00 0.00 C ATOM 639 NH1 ARG A 52 -3.760 -19.587 -3.289 1.00 0.00 N ATOM 640 NH2 ARG A 52 -5.350 -18.126 -4.063 1.00 0.00 N ATOM 0 H ARG A 52 -2.849 -15.589 2.595 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.374 -16.205 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.322 -18.108 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.833 -17.803 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.267 -19.590 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.028 -18.177 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.284 -18.325 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.057 -19.877 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.655 -17.568 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.244 -20.004 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.567 -19.880 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.061 -17.416 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.153 -18.422 -5.019 1.00 0.00 H new ATOM 648 N ASN A 53 -5.359 -15.350 3.173 1.00 0.00 N ATOM 649 CA ASN A 53 -6.384 -14.620 3.910 1.00 0.00 C ATOM 650 C ASN A 53 -6.118 -13.119 3.877 1.00 0.00 C ATOM 651 O ASN A 53 -5.010 -12.679 3.564 1.00 0.00 O ATOM 652 CB ASN A 53 -6.451 -15.107 5.358 1.00 0.00 C ATOM 653 CG ASN A 53 -6.605 -16.612 5.459 1.00 0.00 C ATOM 654 OD1 ASN A 53 -6.958 -17.280 4.488 1.00 0.00 O ATOM 655 ND2 ASN A 53 -6.338 -17.156 6.643 1.00 0.00 N ATOM 0 H ASN A 53 -4.616 -15.737 3.755 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.343 -14.810 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.546 -14.802 5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.289 -14.625 5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.423 -18.164 6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.048 -16.565 7.422 1.00 0.00 H new ATOM 660 N ARG A 54 -7.139 -12.335 4.213 1.00 0.00 N ATOM 661 CA ARG A 54 -7.014 -10.882 4.235 1.00 0.00 C ATOM 662 C ARG A 54 -6.046 -10.446 5.328 1.00 0.00 C ATOM 663 O ARG A 54 -5.238 -9.537 5.133 1.00 0.00 O ATOM 664 CB ARG A 54 -8.382 -10.238 4.462 1.00 0.00 C ATOM 665 CG ARG A 54 -8.558 -8.907 3.746 1.00 0.00 C ATOM 666 CD ARG A 54 -9.316 -7.910 4.606 1.00 0.00 C ATOM 667 NE ARG A 54 -10.148 -7.015 3.803 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.342 -6.574 4.187 1.00 0.00 C ATOM 669 NH1 ARG A 54 -11.849 -6.947 5.354 1.00 0.00 N ATOM 670 NH2 ARG A 54 -12.031 -5.758 3.401 1.00 0.00 N ATOM 0 H ARG A 54 -8.062 -12.682 4.474 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.623 -10.555 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.158 -10.926 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.530 -10.088 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.581 -8.499 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.094 -9.064 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.943 -8.448 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.607 -7.321 5.188 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.792 -6.712 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.323 -7.575 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.765 -6.606 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.645 -5.469 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.947 -5.419 3.695 1.00 0.00 H new ATOM 678 N GLN A 55 -6.133 -11.105 6.480 1.00 0.00 N ATOM 679 CA GLN A 55 -5.269 -10.797 7.612 1.00 0.00 C ATOM 680 C GLN A 55 -3.806 -11.047 7.266 1.00 0.00 C ATOM 681 O GLN A 55 -2.924 -10.287 7.669 1.00 0.00 O ATOM 682 CB GLN A 55 -5.667 -11.640 8.822 1.00 0.00 C ATOM 683 CG GLN A 55 -6.408 -10.856 9.893 1.00 0.00 C ATOM 684 CD GLN A 55 -7.570 -11.632 10.482 1.00 0.00 C ATOM 685 OE1 GLN A 55 -7.376 -12.620 11.191 1.00 0.00 O ATOM 686 NE2 GLN A 55 -8.786 -11.191 10.187 1.00 0.00 N ATOM 0 H GLN A 55 -6.797 -11.859 6.653 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.390 -9.741 7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.295 -12.466 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.770 -12.078 9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.713 -10.589 10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.777 -9.924 9.466 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.900 -10.368 9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.606 -11.675 10.552 1.00 0.00 H new ATOM 691 N GLU A 56 -3.557 -12.114 6.514 1.00 0.00 N ATOM 692 CA GLU A 56 -2.202 -12.468 6.110 1.00 0.00 C ATOM 693 C GLU A 56 -1.587 -11.362 5.257 1.00 0.00 C ATOM 694 O GLU A 56 -0.468 -10.916 5.512 1.00 0.00 O ATOM 695 CB GLU A 56 -2.209 -13.787 5.334 1.00 0.00 C ATOM 696 CG GLU A 56 -2.189 -15.016 6.228 1.00 0.00 C ATOM 697 CD GLU A 56 -1.821 -16.280 5.475 1.00 0.00 C ATOM 698 OE1 GLU A 56 -0.619 -16.476 5.199 1.00 0.00 O ATOM 699 OE2 GLU A 56 -2.735 -17.072 5.164 1.00 0.00 O ATOM 0 H GLU A 56 -4.278 -12.749 6.172 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.597 -12.588 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.096 -13.822 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.343 -13.815 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.477 -14.860 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.170 -15.143 6.686 1.00 0.00 H new ATOM 702 N GLY A 57 -2.327 -10.919 4.247 1.00 0.00 N ATOM 703 CA GLY A 57 -1.838 -9.865 3.380 1.00 0.00 C ATOM 704 C GLY A 57 -1.783 -8.523 4.081 1.00 0.00 C ATOM 705 O GLY A 57 -1.122 -7.596 3.614 1.00 0.00 O ATOM 0 H GLY A 57 -3.256 -11.271 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.843 -10.126 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.483 -9.789 2.505 1.00 0.00 H new ATOM 709 N LEU A 58 -2.481 -8.420 5.209 1.00 0.00 N ATOM 710 CA LEU A 58 -2.512 -7.183 5.980 1.00 0.00 C ATOM 711 C LEU A 58 -1.211 -6.993 6.757 1.00 0.00 C ATOM 712 O LEU A 58 -0.661 -5.893 6.798 1.00 0.00 O ATOM 713 CB LEU A 58 -3.699 -7.186 6.946 1.00 0.00 C ATOM 714 CG LEU A 58 -4.476 -5.870 7.016 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.883 -6.109 7.543 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.744 -4.865 7.893 1.00 0.00 C ATOM 0 H LEU A 58 -3.033 -9.179 5.609 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.623 -6.353 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.385 -7.981 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.336 -7.430 7.944 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.550 -5.460 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.421 -5.162 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.409 -6.795 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.829 -6.541 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.311 -3.935 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.640 -5.269 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.756 -4.671 7.476 1.00 0.00 H new ATOM 726 N MET A 59 -0.725 -8.069 7.371 1.00 0.00 N ATOM 727 CA MET A 59 0.510 -8.009 8.143 1.00 0.00 C ATOM 728 C MET A 59 1.717 -7.839 7.226 1.00 0.00 C ATOM 729 O MET A 59 2.657 -7.116 7.554 1.00 0.00 O ATOM 730 CB MET A 59 0.672 -9.256 9.008 1.00 0.00 C ATOM 731 CG MET A 59 0.720 -10.539 8.207 1.00 0.00 C ATOM 732 SD MET A 59 2.026 -11.655 8.755 1.00 0.00 S ATOM 733 CE MET A 59 3.477 -10.645 8.462 1.00 0.00 C ATOM 0 H MET A 59 -1.166 -8.988 7.348 1.00 0.00 H new ATOM 0 HA MET A 59 0.452 -7.140 8.799 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.587 -9.167 9.593 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.155 -9.309 9.716 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.242 -11.046 8.284 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.871 -10.300 7.154 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.318 -11.285 8.195 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.278 -9.949 7.647 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.719 -10.085 9.365 1.00 0.00 H new ATOM 739 N ILE A 60 1.683 -8.499 6.070 1.00 0.00 N ATOM 740 CA ILE A 60 2.778 -8.400 5.110 1.00 0.00 C ATOM 741 C ILE A 60 2.922 -6.964 4.619 1.00 0.00 C ATOM 742 O ILE A 60 4.015 -6.394 4.635 1.00 0.00 O ATOM 743 CB ILE A 60 2.568 -9.337 3.902 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.404 -10.788 4.368 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.730 -9.212 2.924 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.644 -11.372 5.015 1.00 0.00 C ATOM 0 H ILE A 60 0.915 -9.103 5.778 1.00 0.00 H new ATOM 0 HA ILE A 60 3.689 -8.707 5.624 1.00 0.00 H new ATOM 0 HB ILE A 60 1.654 -9.040 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.578 -10.840 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.129 -11.405 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.567 -9.879 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.797 -8.184 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.659 -9.483 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.447 -12.401 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.469 -11.355 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.910 -10.781 5.892 1.00 0.00 H new ATOM 756 N ALA A 61 1.804 -6.376 4.199 1.00 0.00 N ATOM 757 CA ALA A 61 1.801 -5.000 3.723 1.00 0.00 C ATOM 758 C ALA A 61 2.270 -4.064 4.829 1.00 0.00 C ATOM 759 O ALA A 61 2.864 -3.018 4.565 1.00 0.00 O ATOM 760 CB ALA A 61 0.413 -4.605 3.240 1.00 0.00 C ATOM 0 H ALA A 61 0.892 -6.832 4.180 1.00 0.00 H new ATOM 0 HA ALA A 61 2.489 -4.919 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.430 -3.574 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.111 -5.262 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.298 -4.696 4.061 1.00 0.00 H new ATOM 766 N SER A 62 2.008 -4.461 6.072 1.00 0.00 N ATOM 767 CA SER A 62 2.414 -3.674 7.227 1.00 0.00 C ATOM 768 C SER A 62 3.931 -3.579 7.282 1.00 0.00 C ATOM 769 O SER A 62 4.491 -2.519 7.569 1.00 0.00 O ATOM 770 CB SER A 62 1.879 -4.301 8.517 1.00 0.00 C ATOM 771 OG SER A 62 1.871 -3.361 9.577 1.00 0.00 O ATOM 0 H SER A 62 1.516 -5.324 6.302 1.00 0.00 H new ATOM 0 HA SER A 62 1.997 -2.671 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.869 -4.675 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.495 -5.157 8.791 1.00 0.00 H new ATOM 0 HG SER A 62 1.523 -3.786 10.389 1.00 0.00 H new ATOM 775 N SER A 63 4.594 -4.693 6.983 1.00 0.00 N ATOM 776 CA SER A 63 6.050 -4.738 6.975 1.00 0.00 C ATOM 777 C SER A 63 6.591 -3.831 5.878 1.00 0.00 C ATOM 778 O SER A 63 7.643 -3.212 6.032 1.00 0.00 O ATOM 779 CB SER A 63 6.538 -6.171 6.763 1.00 0.00 C ATOM 780 OG SER A 63 7.526 -6.520 7.718 1.00 0.00 O ATOM 0 H SER A 63 4.144 -5.576 6.743 1.00 0.00 H new ATOM 0 HA SER A 63 6.417 -4.387 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.697 -6.860 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.947 -6.274 5.758 1.00 0.00 H new ATOM 0 HG SER A 63 7.821 -7.442 7.562 1.00 0.00 H new ATOM 784 N LEU A 64 5.851 -3.754 4.774 1.00 0.00 N ATOM 785 CA LEU A 64 6.241 -2.914 3.647 1.00 0.00 C ATOM 786 C LEU A 64 6.412 -1.469 4.097 1.00 0.00 C ATOM 787 O LEU A 64 7.476 -0.873 3.920 1.00 0.00 O ATOM 788 CB LEU A 64 5.188 -2.989 2.539 1.00 0.00 C ATOM 789 CG LEU A 64 5.565 -3.863 1.345 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.396 -4.744 0.939 1.00 0.00 C ATOM 791 CD2 LEU A 64 6.017 -3.001 0.178 1.00 0.00 C ATOM 0 H LEU A 64 4.978 -4.264 4.637 1.00 0.00 H new ATOM 0 HA LEU A 64 7.192 -3.279 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.259 -3.366 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.987 -1.979 2.181 1.00 0.00 H new ATOM 0 HG LEU A 64 6.394 -4.508 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.683 -5.360 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.118 -5.387 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.547 -4.118 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.282 -3.639 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.208 -2.331 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.885 -2.413 0.475 1.00 0.00 H new ATOM 801 N LEU A 65 5.357 -0.913 4.684 1.00 0.00 N ATOM 802 CA LEU A 65 5.385 0.464 5.167 1.00 0.00 C ATOM 803 C LEU A 65 6.384 0.616 6.311 1.00 0.00 C ATOM 804 O LEU A 65 6.966 1.685 6.500 1.00 0.00 O ATOM 805 CB LEU A 65 3.985 0.895 5.626 1.00 0.00 C ATOM 806 CG LEU A 65 3.907 2.266 6.309 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.617 3.325 5.479 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.455 2.659 6.545 1.00 0.00 C ATOM 0 H LEU A 65 4.471 -1.395 4.837 1.00 0.00 H new ATOM 0 HA LEU A 65 5.701 1.108 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.324 0.902 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.600 0.143 6.315 1.00 0.00 H new ATOM 0 HG LEU A 65 4.410 2.196 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.548 4.289 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.665 3.051 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.147 3.394 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.416 3.634 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.931 2.708 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.976 1.917 7.184 1.00 0.00 H new ATOM 818 N ASN A 66 6.582 -0.461 7.066 1.00 0.00 N ATOM 819 CA ASN A 66 7.516 -0.446 8.186 1.00 0.00 C ATOM 820 C ASN A 66 8.917 -0.076 7.715 1.00 0.00 C ATOM 821 O ASN A 66 9.621 0.693 8.368 1.00 0.00 O ATOM 822 CB ASN A 66 7.540 -1.811 8.876 1.00 0.00 C ATOM 823 CG ASN A 66 7.789 -1.701 10.367 1.00 0.00 C ATOM 824 OD1 ASN A 66 8.807 -2.173 10.875 1.00 0.00 O ATOM 825 ND2 ASN A 66 6.858 -1.078 11.078 1.00 0.00 N ATOM 0 H ASN A 66 6.109 -1.353 6.922 1.00 0.00 H new ATOM 0 HA ASN A 66 7.180 0.306 8.900 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.590 -2.318 8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.317 -2.429 8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.970 -0.975 12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.030 -0.702 10.616 1.00 0.00 H new ATOM 830 N GLU A 67 9.312 -0.627 6.571 1.00 0.00 N ATOM 831 CA GLU A 67 10.627 -0.353 6.003 1.00 0.00 C ATOM 832 C GLU A 67 10.641 0.998 5.299 1.00 0.00 C ATOM 833 O GLU A 67 11.704 1.550 5.013 1.00 0.00 O ATOM 834 CB GLU A 67 11.016 -1.454 5.014 1.00 0.00 C ATOM 835 CG GLU A 67 11.369 -2.776 5.674 1.00 0.00 C ATOM 836 CD GLU A 67 12.531 -3.473 4.995 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.677 -2.995 5.138 1.00 0.00 O ATOM 838 OE2 GLU A 67 12.296 -4.496 4.319 1.00 0.00 O ATOM 0 H GLU A 67 8.740 -1.266 6.019 1.00 0.00 H new ATOM 0 HA GLU A 67 11.351 -0.330 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.191 -1.614 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.867 -1.115 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.616 -2.601 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.497 -3.430 5.658 1.00 0.00 H new ATOM 841 N GLY A 68 9.452 1.524 5.018 1.00 0.00 N ATOM 842 CA GLY A 68 9.346 2.805 4.344 1.00 0.00 C ATOM 843 C GLY A 68 9.103 2.647 2.857 1.00 0.00 C ATOM 844 O GLY A 68 9.389 3.553 2.072 1.00 0.00 O ATOM 0 H GLY A 68 8.560 1.085 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.532 3.380 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.261 3.375 4.503 1.00 0.00 H new ATOM 848 N TYR A 69 8.579 1.487 2.469 1.00 0.00 N ATOM 849 CA TYR A 69 8.296 1.200 1.069 1.00 0.00 C ATOM 850 C TYR A 69 7.097 2.002 0.576 1.00 0.00 C ATOM 851 O TYR A 69 7.141 2.604 -0.495 1.00 0.00 O ATOM 852 CB TYR A 69 8.034 -0.295 0.882 1.00 0.00 C ATOM 853 CG TYR A 69 9.288 -1.140 0.920 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.327 -0.918 0.025 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.432 -2.158 1.852 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.473 -1.687 0.057 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.575 -2.933 1.892 1.00 0.00 C ATOM 858 CZ TYR A 69 11.592 -2.693 0.993 1.00 0.00 C ATOM 859 OH TYR A 69 12.732 -3.462 1.029 1.00 0.00 O ATOM 0 H TYR A 69 8.342 0.729 3.109 1.00 0.00 H new ATOM 0 HA TYR A 69 9.167 1.490 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.353 -0.636 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.530 -0.450 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.237 -0.130 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.637 -2.348 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.271 -1.502 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.671 -3.722 2.623 1.00 0.00 H new ATOM 0 HH TYR A 69 12.657 -4.125 1.747 1.00 0.00 H new ATOM 867 N LEU A 70 6.026 2.003 1.364 1.00 0.00 N ATOM 868 CA LEU A 70 4.814 2.732 1.008 1.00 0.00 C ATOM 869 C LEU A 70 4.824 4.128 1.623 1.00 0.00 C ATOM 870 O LEU A 70 5.736 4.480 2.371 1.00 0.00 O ATOM 871 CB LEU A 70 3.573 1.966 1.480 1.00 0.00 C ATOM 872 CG LEU A 70 2.838 1.167 0.398 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.175 2.105 -0.597 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.791 0.215 -0.313 1.00 0.00 C ATOM 0 H LEU A 70 5.973 1.507 2.254 1.00 0.00 H new ATOM 0 HA LEU A 70 4.782 2.828 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.871 1.281 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.874 2.678 1.919 1.00 0.00 H new ATOM 0 HG LEU A 70 2.062 0.572 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.658 1.521 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.458 2.739 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.934 2.728 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.247 -0.341 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.593 0.786 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.216 -0.481 0.410 1.00 0.00 H new ATOM 884 N GLN A 71 3.801 4.915 1.308 1.00 0.00 N ATOM 885 CA GLN A 71 3.684 6.269 1.833 1.00 0.00 C ATOM 886 C GLN A 71 2.232 6.584 2.184 1.00 0.00 C ATOM 887 O GLN A 71 1.451 6.993 1.324 1.00 0.00 O ATOM 888 CB GLN A 71 4.217 7.284 0.821 1.00 0.00 C ATOM 889 CG GLN A 71 4.938 8.459 1.463 1.00 0.00 C ATOM 890 CD GLN A 71 6.364 8.127 1.856 1.00 0.00 C ATOM 891 OE1 GLN A 71 6.518 7.269 2.860 1.00 0.00 O flip ATOM 892 NE2 GLN A 71 7.318 8.632 1.265 1.00 0.00 N flip ATOM 0 H GLN A 71 3.039 4.637 0.690 1.00 0.00 H new ATOM 0 HA GLN A 71 4.283 6.337 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.899 6.779 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.386 7.660 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.943 9.300 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.387 8.779 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.155 9.286 0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.271 8.396 1.541 1.00 0.00 H new ATOM 897 N PRO A 72 1.848 6.389 3.459 1.00 0.00 N ATOM 898 CA PRO A 72 0.481 6.644 3.928 1.00 0.00 C ATOM 899 C PRO A 72 0.054 8.095 3.734 1.00 0.00 C ATOM 900 O PRO A 72 0.489 8.986 4.464 1.00 0.00 O ATOM 901 CB PRO A 72 0.544 6.297 5.422 1.00 0.00 C ATOM 902 CG PRO A 72 1.988 6.358 5.770 1.00 0.00 C ATOM 903 CD PRO A 72 2.712 5.899 4.544 1.00 0.00 C ATOM 0 HA PRO A 72 -0.252 6.060 3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.035 7.004 6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.133 5.306 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.283 7.371 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.214 5.718 6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.716 6.320 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.819 4.815 4.519 1.00 0.00 H new ATOM 905 N ALA A 73 -0.806 8.321 2.746 1.00 0.00 N ATOM 906 CA ALA A 73 -1.306 9.659 2.448 1.00 0.00 C ATOM 907 C ALA A 73 -2.608 9.933 3.195 1.00 0.00 C ATOM 908 O ALA A 73 -3.377 9.013 3.480 1.00 0.00 O ATOM 909 CB ALA A 73 -1.510 9.819 0.949 1.00 0.00 C ATOM 0 H ALA A 73 -1.173 7.591 2.135 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.565 10.385 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.883 10.821 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.561 9.669 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.232 9.081 0.599 1.00 0.00 H new ATOM 915 N GLY A 74 -2.850 11.203 3.508 1.00 0.00 N ATOM 916 CA GLY A 74 -4.060 11.574 4.218 1.00 0.00 C ATOM 917 C GLY A 74 -3.792 11.989 5.651 1.00 0.00 C ATOM 918 O GLY A 74 -2.659 11.908 6.124 1.00 0.00 O ATOM 0 H GLY A 74 -2.230 11.981 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.549 12.394 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.753 10.733 4.211 1.00 0.00 H new ATOM 922 N ASP A 75 -4.838 12.435 6.341 1.00 0.00 N ATOM 923 CA ASP A 75 -4.713 12.864 7.729 1.00 0.00 C ATOM 924 C ASP A 75 -4.906 11.689 8.682 1.00 0.00 C ATOM 925 O ASP A 75 -4.296 11.636 9.750 1.00 0.00 O ATOM 926 CB ASP A 75 -5.734 13.962 8.042 1.00 0.00 C ATOM 927 CG ASP A 75 -6.270 14.629 6.791 1.00 0.00 C ATOM 928 OD1 ASP A 75 -5.511 15.386 6.149 1.00 0.00 O ATOM 929 OD2 ASP A 75 -7.449 14.393 6.451 1.00 0.00 O ATOM 0 H ASP A 75 -5.782 12.508 5.961 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.708 13.262 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.563 13.533 8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.270 14.714 8.681 1.00 0.00 H new ATOM 932 N MET A 76 -5.758 10.748 8.286 1.00 0.00 N ATOM 933 CA MET A 76 -6.035 9.569 9.100 1.00 0.00 C ATOM 934 C MET A 76 -4.774 8.737 9.300 1.00 0.00 C ATOM 935 O MET A 76 -4.376 8.455 10.430 1.00 0.00 O ATOM 936 CB MET A 76 -7.125 8.717 8.448 1.00 0.00 C ATOM 937 CG MET A 76 -7.747 7.699 9.389 1.00 0.00 C ATOM 938 SD MET A 76 -8.467 6.294 8.518 1.00 0.00 S ATOM 939 CE MET A 76 -10.213 6.658 8.677 1.00 0.00 C ATOM 0 H MET A 76 -6.270 10.779 7.404 1.00 0.00 H new ATOM 0 HA MET A 76 -6.384 9.907 10.076 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.908 9.373 8.067 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.702 8.195 7.590 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.987 7.340 10.083 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.519 8.186 9.985 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.794 5.877 8.186 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.481 6.701 9.733 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.429 7.618 8.209 1.00 0.00 H new ATOM 945 N SER A 77 -4.148 8.347 8.193 1.00 0.00 N ATOM 946 CA SER A 77 -2.930 7.548 8.244 1.00 0.00 C ATOM 947 C SER A 77 -1.765 8.369 8.786 1.00 0.00 C ATOM 948 O SER A 77 -0.698 7.830 9.082 1.00 0.00 O ATOM 949 CB SER A 77 -2.587 7.008 6.853 1.00 0.00 C ATOM 950 OG SER A 77 -2.350 8.066 5.941 1.00 0.00 O ATOM 0 H SER A 77 -4.465 8.572 7.250 1.00 0.00 H new ATOM 0 HA SER A 77 -3.104 6.708 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.704 6.371 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.405 6.386 6.489 1.00 0.00 H new ATOM 0 HG SER A 77 -2.985 8.005 5.197 1.00 0.00 H new ATOM 954 N LYS A 78 -1.978 9.674 8.916 1.00 0.00 N ATOM 955 CA LYS A 78 -0.948 10.573 9.426 1.00 0.00 C ATOM 956 C LYS A 78 -0.889 10.520 10.948 1.00 0.00 C ATOM 957 O LYS A 78 0.183 10.628 11.543 1.00 0.00 O ATOM 958 CB LYS A 78 -1.215 12.006 8.961 1.00 0.00 C ATOM 959 CG LYS A 78 0.038 12.744 8.519 1.00 0.00 C ATOM 960 CD LYS A 78 0.539 12.239 7.176 1.00 0.00 C ATOM 961 CE LYS A 78 1.925 11.625 7.296 1.00 0.00 C ATOM 962 NZ LYS A 78 2.596 11.509 5.972 1.00 0.00 N ATOM 0 H LYS A 78 -2.856 10.134 8.675 1.00 0.00 H new ATOM 0 HA LYS A 78 0.014 10.246 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.925 11.985 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.687 12.561 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.172 13.811 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.818 12.619 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.156 11.498 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.565 13.063 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.536 12.235 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.847 10.638 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.538 11.086 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.026 10.906 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.694 12.454 5.548 1.00 0.00 H new ATOM 968 N SER A 79 -2.050 10.349 11.572 1.00 0.00 N ATOM 969 CA SER A 79 -2.135 10.278 13.026 1.00 0.00 C ATOM 970 C SER A 79 -1.948 8.845 13.511 1.00 0.00 C ATOM 971 O SER A 79 -1.576 8.612 14.662 1.00 0.00 O ATOM 972 CB SER A 79 -3.481 10.820 13.509 1.00 0.00 C ATOM 973 OG SER A 79 -4.542 10.338 12.703 1.00 0.00 O ATOM 0 H SER A 79 -2.946 10.257 11.093 1.00 0.00 H new ATOM 0 HA SER A 79 -1.336 10.892 13.441 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.645 10.526 14.546 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.468 11.910 13.485 1.00 0.00 H new ATOM 0 HG SER A 79 -5.392 10.697 13.032 1.00 0.00 H new ATOM 977 N ALA A 80 -2.207 7.888 12.623 1.00 0.00 N ATOM 978 CA ALA A 80 -2.067 6.476 12.959 1.00 0.00 C ATOM 979 C ALA A 80 -0.615 6.129 13.268 1.00 0.00 C ATOM 980 O ALA A 80 -0.315 5.538 14.307 1.00 0.00 O ATOM 981 CB ALA A 80 -2.587 5.610 11.823 1.00 0.00 C ATOM 0 H ALA A 80 -2.514 8.066 11.667 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.660 6.279 13.852 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.476 4.558 12.087 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.640 5.832 11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.018 5.818 10.917 1.00 0.00 H new ATOM 987 N VAL A 81 0.284 6.501 12.361 1.00 0.00 N ATOM 988 CA VAL A 81 1.707 6.231 12.537 1.00 0.00 C ATOM 989 C VAL A 81 2.349 7.255 13.467 1.00 0.00 C ATOM 990 O VAL A 81 3.548 7.193 13.739 1.00 0.00 O ATOM 991 CB VAL A 81 2.452 6.238 11.188 1.00 0.00 C ATOM 992 CG1 VAL A 81 2.128 4.983 10.391 1.00 0.00 C ATOM 993 CG2 VAL A 81 2.107 7.486 10.392 1.00 0.00 C ATOM 0 H VAL A 81 0.052 6.990 11.497 1.00 0.00 H new ATOM 0 HA VAL A 81 1.789 5.239 12.982 1.00 0.00 H new ATOM 0 HB VAL A 81 3.523 6.248 11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.663 5.006 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.433 4.103 10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.055 4.939 10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.643 7.472 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.034 7.511 10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.396 8.371 10.959 1.00 0.00 H new ATOM 1003 N ASP A 82 1.543 8.195 13.950 1.00 0.00 N ATOM 1004 CA ASP A 82 2.030 9.235 14.852 1.00 0.00 C ATOM 1005 C ASP A 82 2.223 8.684 16.261 1.00 0.00 C ATOM 1006 O ASP A 82 3.348 8.603 16.758 1.00 0.00 O ATOM 1007 CB ASP A 82 1.052 10.411 14.880 1.00 0.00 C ATOM 1008 CG ASP A 82 1.473 11.491 15.857 1.00 0.00 C ATOM 1009 OD1 ASP A 82 2.489 12.168 15.593 1.00 0.00 O ATOM 1010 OD2 ASP A 82 0.786 11.661 16.885 1.00 0.00 O ATOM 0 H ASP A 82 0.549 8.259 13.732 1.00 0.00 H new ATOM 0 HA ASP A 82 2.995 9.582 14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.975 10.839 13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.060 10.048 15.149 1.00 0.00 H new ATOM 1013 N GLY A 83 1.120 8.306 16.900 1.00 0.00 N ATOM 1014 CA GLY A 83 1.188 7.767 18.246 1.00 0.00 C ATOM 1015 C GLY A 83 1.394 6.265 18.256 1.00 0.00 C ATOM 1016 O GLY A 83 2.492 5.780 17.979 1.00 0.00 O ATOM 0 H GLY A 83 0.180 8.364 16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.004 8.247 18.786 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.268 8.009 18.778 1.00 0.00 H new ATOM 1020 N THR A 84 0.336 5.525 18.573 1.00 0.00 N ATOM 1021 CA THR A 84 0.404 4.070 18.616 1.00 0.00 C ATOM 1022 C THR A 84 0.498 3.491 17.208 1.00 0.00 C ATOM 1023 O THR A 84 -0.512 3.311 16.530 1.00 0.00 O ATOM 1024 CB THR A 84 -0.824 3.471 19.326 1.00 0.00 C ATOM 1025 OG1 THR A 84 -1.437 4.458 20.162 1.00 0.00 O ATOM 1026 CG2 THR A 84 -0.427 2.265 20.165 1.00 0.00 C ATOM 0 H THR A 84 -0.580 5.911 18.804 1.00 0.00 H new ATOM 0 HA THR A 84 1.300 3.807 19.179 1.00 0.00 H new ATOM 0 HB THR A 84 -1.535 3.148 18.565 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.218 4.069 20.608 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.310 1.858 20.658 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.013 1.503 19.522 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.301 2.569 20.918 1.00 0.00 H new ATOM 1034 N ALA A 85 1.723 3.204 16.773 1.00 0.00 N ATOM 1035 CA ALA A 85 1.954 2.651 15.444 1.00 0.00 C ATOM 1036 C ALA A 85 1.932 1.127 15.463 1.00 0.00 C ATOM 1037 O ALA A 85 2.668 0.476 14.720 1.00 0.00 O ATOM 1038 CB ALA A 85 3.277 3.155 14.890 1.00 0.00 C ATOM 0 H ALA A 85 2.570 3.346 17.323 1.00 0.00 H new ATOM 0 HA ALA A 85 1.145 2.986 14.795 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.439 2.736 13.897 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.253 4.243 14.825 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.088 2.848 15.550 1.00 0.00 H new ATOM 1044 N GLU A 86 1.080 0.560 16.311 1.00 0.00 N ATOM 1045 CA GLU A 86 0.959 -0.889 16.419 1.00 0.00 C ATOM 1046 C GLU A 86 0.417 -1.482 15.124 1.00 0.00 C ATOM 1047 O GLU A 86 0.796 -2.581 14.721 1.00 0.00 O ATOM 1048 CB GLU A 86 0.046 -1.259 17.590 1.00 0.00 C ATOM 1049 CG GLU A 86 0.350 -2.621 18.193 1.00 0.00 C ATOM 1050 CD GLU A 86 1.548 -2.593 19.122 1.00 0.00 C ATOM 1051 OE1 GLU A 86 1.737 -1.573 19.818 1.00 0.00 O ATOM 1052 OE2 GLU A 86 2.297 -3.592 19.152 1.00 0.00 O ATOM 0 H GLU A 86 0.463 1.082 16.933 1.00 0.00 H new ATOM 0 HA GLU A 86 1.951 -1.303 16.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.138 -0.499 18.366 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.990 -1.244 17.251 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.523 -2.974 18.742 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.533 -3.336 17.391 1.00 0.00 H new ATOM 1055 N ASN A 87 -0.469 -0.736 14.478 1.00 0.00 N ATOM 1056 CA ASN A 87 -1.071 -1.166 13.221 1.00 0.00 C ATOM 1057 C ASN A 87 -0.973 -0.060 12.171 1.00 0.00 C ATOM 1058 O ASN A 87 -1.967 0.594 11.850 1.00 0.00 O ATOM 1059 CB ASN A 87 -2.531 -1.558 13.436 1.00 0.00 C ATOM 1060 CG ASN A 87 -2.752 -2.262 14.762 1.00 0.00 C ATOM 1061 OD1 ASN A 87 -2.545 -3.468 14.879 1.00 0.00 O ATOM 1062 ND2 ASN A 87 -3.174 -1.506 15.768 1.00 0.00 N ATOM 0 H ASN A 87 -0.789 0.176 14.805 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.523 -2.037 12.860 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.154 -0.665 13.394 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.853 -2.210 12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.340 -1.922 16.684 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.333 -0.509 15.625 1.00 0.00 H new ATOM 1067 N PRO A 88 0.236 0.169 11.624 1.00 0.00 N ATOM 1068 CA PRO A 88 0.463 1.207 10.611 1.00 0.00 C ATOM 1069 C PRO A 88 -0.445 1.048 9.393 1.00 0.00 C ATOM 1070 O PRO A 88 -1.315 1.882 9.142 1.00 0.00 O ATOM 1071 CB PRO A 88 1.929 1.014 10.213 1.00 0.00 C ATOM 1072 CG PRO A 88 2.554 0.307 11.366 1.00 0.00 C ATOM 1073 CD PRO A 88 1.476 -0.559 11.953 1.00 0.00 C ATOM 0 HA PRO A 88 0.242 2.201 11.000 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.015 0.428 9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.416 1.971 10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.404 -0.294 11.042 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.929 1.017 12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.482 -1.559 11.518 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.598 -0.679 13.030 1.00 0.00 H new ATOM 1075 N PHE A 89 -0.232 -0.026 8.639 1.00 0.00 N ATOM 1076 CA PHE A 89 -1.026 -0.290 7.443 1.00 0.00 C ATOM 1077 C PHE A 89 -2.484 -0.567 7.801 1.00 0.00 C ATOM 1078 O PHE A 89 -2.778 -1.384 8.673 1.00 0.00 O ATOM 1079 CB PHE A 89 -0.444 -1.475 6.671 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.815 -1.482 5.215 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -2.041 -1.978 4.801 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.066 -0.997 4.260 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -2.383 -1.988 3.462 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -0.272 -1.004 2.920 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.498 -1.502 2.520 1.00 0.00 C ATOM 0 H PHE A 89 0.483 -0.727 8.834 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.991 0.599 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.642 -1.459 6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.788 -2.402 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.737 -2.361 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.026 -0.610 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.342 -2.376 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.421 -0.621 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.763 -1.511 1.473 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.393 0.121 7.115 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.822 -0.044 7.352 1.00 0.00 C ATOM 1095 C LEU A 90 -5.530 -0.514 6.085 1.00 0.00 C ATOM 1096 O LEU A 90 -5.356 0.067 5.014 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.434 1.272 7.835 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.683 1.952 8.982 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -5.088 3.413 9.095 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -4.935 1.223 10.293 1.00 0.00 C ATOM 0 H LEU A 90 -3.163 0.800 6.389 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.954 -0.802 8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.484 1.963 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.459 1.083 8.153 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.615 1.909 8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.543 3.879 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.852 3.929 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.159 3.480 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.393 1.721 11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.002 1.232 10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.591 0.192 10.208 1.00 0.00 H new ATOM 1110 N ASP A 91 -6.328 -1.570 6.215 1.00 0.00 N ATOM 1111 CA ASP A 91 -7.064 -2.120 5.081 1.00 0.00 C ATOM 1112 C ASP A 91 -8.387 -1.382 4.879 1.00 0.00 C ATOM 1113 O ASP A 91 -9.423 -1.999 4.633 1.00 0.00 O ATOM 1114 CB ASP A 91 -7.325 -3.613 5.293 1.00 0.00 C ATOM 1115 CG ASP A 91 -8.211 -3.882 6.493 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.818 -3.507 7.618 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -9.298 -4.469 6.309 1.00 0.00 O ATOM 0 H ASP A 91 -6.482 -2.062 7.095 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.456 -1.988 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.793 -4.027 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.374 -4.130 5.424 1.00 0.00 H new ATOM 1120 N ASN A 92 -8.341 -0.057 4.985 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.536 0.765 4.816 1.00 0.00 C ATOM 1122 C ASN A 92 -9.448 1.606 3.541 1.00 0.00 C ATOM 1123 O ASN A 92 -8.360 1.810 3.001 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.728 1.674 6.033 1.00 0.00 C ATOM 1125 CG ASN A 92 -9.602 0.921 7.345 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -9.915 -0.266 7.424 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -9.143 1.612 8.381 1.00 0.00 N ATOM 0 H ASN A 92 -7.491 0.470 5.187 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.395 0.100 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.989 2.475 6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.710 2.144 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.038 1.160 9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.896 2.595 8.269 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.596 2.100 3.038 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.651 2.909 1.826 1.00 0.00 C ATOM 1134 C PRO A 93 -10.369 4.383 2.101 1.00 0.00 C ATOM 1135 O PRO A 93 -10.109 5.157 1.180 1.00 0.00 O ATOM 1136 CB PRO A 93 -12.098 2.726 1.332 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.802 1.906 2.371 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.935 1.910 3.597 1.00 0.00 C ATOM 0 HA PRO A 93 -9.898 2.602 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.588 3.691 1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.117 2.225 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.784 2.324 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.962 0.888 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.206 2.713 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.014 0.976 4.153 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.426 4.763 3.373 1.00 0.00 N ATOM 1141 CA ASP A 94 -10.178 6.144 3.770 1.00 0.00 C ATOM 1142 C ASP A 94 -8.683 6.443 3.802 1.00 0.00 C ATOM 1143 O ASP A 94 -8.252 7.543 3.451 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.794 6.421 5.144 1.00 0.00 C ATOM 1145 CG ASP A 94 -12.065 7.246 5.056 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -12.551 7.473 3.929 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.573 7.665 6.117 1.00 0.00 O ATOM 0 H ASP A 94 -10.642 4.134 4.146 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.644 6.796 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.013 5.474 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.067 6.944 5.765 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.895 5.459 4.224 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.447 5.616 4.300 1.00 0.00 C ATOM 1152 C ALA A 95 -5.807 5.488 2.922 1.00 0.00 C ATOM 1153 O ALA A 95 -6.095 4.550 2.179 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.852 4.593 5.256 1.00 0.00 C ATOM 0 H ALA A 95 -8.235 4.544 4.519 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.236 6.616 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.771 4.723 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.277 4.734 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.082 3.588 4.902 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.941 6.439 2.585 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.263 6.432 1.295 1.00 0.00 C ATOM 1162 C PHE A 96 -2.859 5.851 1.413 1.00 0.00 C ATOM 1163 O PHE A 96 -2.228 5.936 2.466 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.184 7.850 0.730 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.371 8.250 -0.098 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -5.802 7.458 -1.152 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -6.051 9.425 0.174 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -6.889 7.832 -1.917 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.139 9.805 -0.588 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.557 9.007 -1.635 1.00 0.00 C ATOM 0 H PHE A 96 -4.693 7.224 3.188 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.842 5.803 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.078 8.553 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.284 7.937 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.282 6.539 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.727 10.052 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -7.216 7.207 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.661 10.724 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.406 9.302 -2.233 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.375 5.269 0.320 1.00 0.00 N ATOM 1179 CA TYR A 97 -1.042 4.679 0.284 1.00 0.00 C ATOM 1180 C TYR A 97 -0.465 4.746 -1.127 1.00 0.00 C ATOM 1181 O TYR A 97 -0.890 4.001 -2.009 1.00 0.00 O ATOM 1182 CB TYR A 97 -1.086 3.220 0.750 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.321 3.054 2.234 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.294 3.249 3.148 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.572 2.695 2.719 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.506 3.093 4.505 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.793 2.538 4.074 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.758 2.738 4.963 1.00 0.00 C ATOM 1189 OH TYR A 97 -1.974 2.584 6.312 1.00 0.00 O ATOM 0 H TYR A 97 -2.890 5.193 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.403 5.249 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.875 2.700 0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.146 2.737 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.687 3.527 2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.385 2.536 2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.304 3.248 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.772 2.260 4.435 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.904 2.809 6.522 1.00 0.00 H new ATOM 1197 N TYR A 98 0.499 5.637 -1.339 1.00 0.00 N ATOM 1198 CA TYR A 98 1.121 5.782 -2.652 1.00 0.00 C ATOM 1199 C TYR A 98 2.592 5.380 -2.607 1.00 0.00 C ATOM 1200 O TYR A 98 3.144 5.129 -1.535 1.00 0.00 O ATOM 1201 CB TYR A 98 0.980 7.219 -3.164 1.00 0.00 C ATOM 1202 CG TYR A 98 1.732 8.252 -2.351 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.180 8.791 -1.196 1.00 0.00 C ATOM 1204 CD2 TYR A 98 2.988 8.696 -2.746 1.00 0.00 C ATOM 1205 CE1 TYR A 98 1.859 9.742 -0.457 1.00 0.00 C ATOM 1206 CE2 TYR A 98 3.672 9.647 -2.014 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.104 10.166 -0.870 1.00 0.00 C ATOM 1208 OH TYR A 98 3.782 11.114 -0.138 1.00 0.00 O ATOM 0 H TYR A 98 0.865 6.266 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 98 0.604 5.115 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.332 7.260 -4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.077 7.485 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.204 8.462 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.437 8.291 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.416 10.151 0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.647 9.982 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 98 4.644 11.301 -0.564 1.00 0.00 H new ATOM 1216 N PHE A 99 3.219 5.319 -3.778 1.00 0.00 N ATOM 1217 CA PHE A 99 4.626 4.946 -3.871 1.00 0.00 C ATOM 1218 C PHE A 99 5.519 6.186 -3.840 1.00 0.00 C ATOM 1219 O PHE A 99 5.198 7.204 -4.453 1.00 0.00 O ATOM 1220 CB PHE A 99 4.883 4.144 -5.150 1.00 0.00 C ATOM 1221 CG PHE A 99 4.398 2.722 -5.079 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.799 1.886 -4.047 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.539 2.219 -6.045 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.354 0.579 -3.980 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.091 0.913 -5.983 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.501 0.092 -4.949 1.00 0.00 C ATOM 0 H PHE A 99 2.776 5.523 -4.674 1.00 0.00 H new ATOM 0 HA PHE A 99 4.870 4.323 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.394 4.644 -5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.953 4.144 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.467 2.261 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.216 2.856 -6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.674 -0.060 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.422 0.534 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.154 -0.930 -4.900 1.00 0.00 H new TER 1234 PHE A 99