USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 66 TYR OH : rot 180:sc= 0.769 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -138:sc= 0.857 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.17 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.105 USER MOD Single : A 8 THR OG1 : rot 18:sc= 0.243 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.869 K(o=-0.87,f=-0.0023) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 65:sc= 1.3 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.057) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.69) USER MOD Single : A 61 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.2) USER MOD Single : A 62 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.28) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.028) USER MOD Single : A 67 TYR OH : rot -80:sc= -3.21! USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.307) USER MOD Single : A 72 GLN : amide:sc= -0.0507 K(o=-0.051,f=-0.83) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.362 23.934 9.334 1.00 0.00 N ATOM 2 CA GLY A 1 3.236 24.811 9.596 1.00 0.00 C ATOM 3 C GLY A 1 1.946 24.296 8.987 1.00 0.00 C ATOM 4 O GLY A 1 1.588 23.133 9.168 1.00 0.00 O ATOM 0 H1 GLY A 1 5.219 24.330 9.771 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.171 22.994 9.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.504 23.849 8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.108 24.920 10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.451 25.803 9.198 1.00 0.00 H new ATOM 8 N SER A 2 1.246 25.165 8.265 1.00 0.00 N ATOM 9 CA SER A 2 -0.014 24.794 7.633 1.00 0.00 C ATOM 10 C SER A 2 0.136 24.734 6.116 1.00 0.00 C ATOM 11 O SER A 2 0.333 25.757 5.460 1.00 0.00 O ATOM 12 CB SER A 2 -1.111 25.792 8.009 1.00 0.00 C ATOM 13 OG SER A 2 -1.908 25.297 9.071 1.00 0.00 O ATOM 0 H SER A 2 1.530 26.131 8.103 1.00 0.00 H new ATOM 0 HA SER A 2 -0.294 23.804 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.660 26.741 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.739 25.991 7.141 1.00 0.00 H new ATOM 0 HG SER A 2 -2.601 25.954 9.294 1.00 0.00 H new ATOM 19 N SER A 3 0.043 23.528 5.565 1.00 0.00 N ATOM 20 CA SER A 3 0.172 23.332 4.126 1.00 0.00 C ATOM 21 C SER A 3 -0.569 22.075 3.680 1.00 0.00 C ATOM 22 O SER A 3 -0.388 20.999 4.248 1.00 0.00 O ATOM 23 CB SER A 3 1.647 23.234 3.734 1.00 0.00 C ATOM 24 OG SER A 3 2.162 24.500 3.360 1.00 0.00 O ATOM 0 H SER A 3 -0.121 22.671 6.094 1.00 0.00 H new ATOM 0 HA SER A 3 -0.273 24.192 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.223 22.837 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.761 22.533 2.907 1.00 0.00 H new ATOM 0 HG SER A 3 1.737 25.199 3.900 1.00 0.00 H new ATOM 30 N GLY A 4 -1.407 22.222 2.658 1.00 0.00 N ATOM 31 CA GLY A 4 -2.164 21.092 2.152 1.00 0.00 C ATOM 32 C GLY A 4 -2.564 21.265 0.700 1.00 0.00 C ATOM 33 O GLY A 4 -3.534 21.960 0.395 1.00 0.00 O ATOM 0 H GLY A 4 -1.575 23.103 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.569 20.184 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.059 20.958 2.759 1.00 0.00 H new ATOM 37 N SER A 5 -1.815 20.634 -0.198 1.00 0.00 N ATOM 38 CA SER A 5 -2.093 20.727 -1.627 1.00 0.00 C ATOM 39 C SER A 5 -2.691 19.424 -2.149 1.00 0.00 C ATOM 40 O SER A 5 -2.898 18.476 -1.392 1.00 0.00 O ATOM 41 CB SER A 5 -0.813 21.058 -2.396 1.00 0.00 C ATOM 42 OG SER A 5 0.054 19.938 -2.451 1.00 0.00 O ATOM 0 H SER A 5 -1.011 20.053 0.038 1.00 0.00 H new ATOM 0 HA SER A 5 -2.818 21.527 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.065 21.377 -3.407 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.303 21.893 -1.916 1.00 0.00 H new ATOM 0 HG SER A 5 0.864 20.175 -2.949 1.00 0.00 H new ATOM 48 N SER A 6 -2.966 19.386 -3.449 1.00 0.00 N ATOM 49 CA SER A 6 -3.544 18.202 -4.073 1.00 0.00 C ATOM 50 C SER A 6 -3.558 18.341 -5.592 1.00 0.00 C ATOM 51 O SER A 6 -3.336 19.425 -6.130 1.00 0.00 O ATOM 52 CB SER A 6 -4.966 17.970 -3.558 1.00 0.00 C ATOM 53 OG SER A 6 -5.492 19.145 -2.965 1.00 0.00 O ATOM 0 H SER A 6 -2.798 20.161 -4.090 1.00 0.00 H new ATOM 0 HA SER A 6 -2.925 17.344 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.608 17.656 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.964 17.160 -2.828 1.00 0.00 H new ATOM 0 HG SER A 6 -6.402 18.971 -2.645 1.00 0.00 H new ATOM 59 N GLY A 7 -3.821 17.233 -6.279 1.00 0.00 N ATOM 60 CA GLY A 7 -3.860 17.252 -7.730 1.00 0.00 C ATOM 61 C GLY A 7 -4.579 16.048 -8.307 1.00 0.00 C ATOM 62 O GLY A 7 -4.311 14.910 -7.918 1.00 0.00 O ATOM 0 H GLY A 7 -4.008 16.323 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.356 18.163 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.842 17.283 -8.117 1.00 0.00 H new ATOM 66 N THR A 8 -5.496 16.298 -9.236 1.00 0.00 N ATOM 67 CA THR A 8 -6.258 15.226 -9.865 1.00 0.00 C ATOM 68 C THR A 8 -6.139 15.285 -11.383 1.00 0.00 C ATOM 69 O THR A 8 -6.411 16.317 -11.997 1.00 0.00 O ATOM 70 CB THR A 8 -7.747 15.292 -9.475 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.345 16.472 -10.023 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.911 15.290 -7.963 1.00 0.00 C ATOM 0 H THR A 8 -5.729 17.233 -9.570 1.00 0.00 H new ATOM 0 HA THR A 8 -5.837 14.286 -9.507 1.00 0.00 H new ATOM 0 HB THR A 8 -8.245 14.411 -9.880 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.778 16.822 -10.742 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.971 15.337 -7.712 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.481 14.377 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.399 16.155 -7.540 1.00 0.00 H new ATOM 80 N SER A 9 -5.731 14.172 -11.984 1.00 0.00 N ATOM 81 CA SER A 9 -5.573 14.098 -13.432 1.00 0.00 C ATOM 82 C SER A 9 -5.547 12.647 -13.902 1.00 0.00 C ATOM 83 O SER A 9 -5.257 11.737 -13.127 1.00 0.00 O ATOM 84 CB SER A 9 -4.289 14.809 -13.863 1.00 0.00 C ATOM 85 OG SER A 9 -3.241 14.573 -12.939 1.00 0.00 O ATOM 0 H SER A 9 -5.504 13.309 -11.491 1.00 0.00 H new ATOM 0 HA SER A 9 -6.427 14.595 -13.892 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.991 14.461 -14.852 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.472 15.880 -13.944 1.00 0.00 H new ATOM 0 HG SER A 9 -2.431 15.037 -13.238 1.00 0.00 H new ATOM 91 N ALA A 10 -5.853 12.440 -15.179 1.00 0.00 N ATOM 92 CA ALA A 10 -5.863 11.101 -15.755 1.00 0.00 C ATOM 93 C ALA A 10 -4.447 10.624 -16.060 1.00 0.00 C ATOM 94 O ALA A 10 -3.716 11.263 -16.818 1.00 0.00 O ATOM 95 CB ALA A 10 -6.714 11.075 -17.015 1.00 0.00 C ATOM 0 H ALA A 10 -6.097 13.183 -15.834 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.297 10.420 -15.023 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.712 10.069 -17.434 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.736 11.364 -16.770 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.304 11.773 -17.745 1.00 0.00 H new ATOM 101 N LEU A 11 -4.066 9.499 -15.466 1.00 0.00 N ATOM 102 CA LEU A 11 -2.736 8.936 -15.675 1.00 0.00 C ATOM 103 C LEU A 11 -2.773 7.824 -16.718 1.00 0.00 C ATOM 104 O LEU A 11 -3.757 7.093 -16.826 1.00 0.00 O ATOM 105 CB LEU A 11 -2.176 8.398 -14.357 1.00 0.00 C ATOM 106 CG LEU A 11 -2.167 9.376 -13.182 1.00 0.00 C ATOM 107 CD1 LEU A 11 -2.419 8.641 -11.874 1.00 0.00 C ATOM 108 CD2 LEU A 11 -0.847 10.130 -13.126 1.00 0.00 C ATOM 0 H LEU A 11 -4.659 8.958 -14.836 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.085 9.730 -16.042 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.757 7.522 -14.070 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.154 8.060 -14.531 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.969 10.099 -13.329 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.409 9.353 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.390 8.147 -11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.639 7.896 -11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.858 10.822 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.028 9.421 -13.003 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.707 10.688 -14.052 1.00 0.00 H new ATOM 120 N ALA A 12 -1.692 7.700 -17.481 1.00 0.00 N ATOM 121 CA ALA A 12 -1.599 6.674 -18.513 1.00 0.00 C ATOM 122 C ALA A 12 -1.303 5.308 -17.903 1.00 0.00 C ATOM 123 O ALA A 12 -0.754 5.197 -16.806 1.00 0.00 O ATOM 124 CB ALA A 12 -0.529 7.043 -19.529 1.00 0.00 C ATOM 0 H ALA A 12 -0.869 8.297 -17.404 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.562 6.616 -19.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.471 6.268 -20.293 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.783 7.995 -19.996 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.435 7.131 -19.027 1.00 0.00 H new ATOM 130 N PRO A 13 -1.676 4.243 -18.627 1.00 0.00 N ATOM 131 CA PRO A 13 -1.460 2.864 -18.176 1.00 0.00 C ATOM 132 C PRO A 13 0.014 2.476 -18.183 1.00 0.00 C ATOM 133 O PRO A 13 0.614 2.294 -19.242 1.00 0.00 O ATOM 134 CB PRO A 13 -2.237 2.031 -19.199 1.00 0.00 C ATOM 135 CG PRO A 13 -2.279 2.878 -20.424 1.00 0.00 C ATOM 136 CD PRO A 13 -2.336 4.301 -19.942 1.00 0.00 C ATOM 0 HA PRO A 13 -1.788 2.715 -17.147 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.742 1.079 -19.393 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.241 1.801 -18.842 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.398 2.711 -21.044 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.149 2.638 -21.035 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.818 4.977 -20.622 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.363 4.657 -19.861 1.00 0.00 H new ATOM 144 N VAL A 14 0.594 2.351 -16.993 1.00 0.00 N ATOM 145 CA VAL A 14 1.998 1.983 -16.862 1.00 0.00 C ATOM 146 C VAL A 14 2.331 1.585 -15.428 1.00 0.00 C ATOM 147 O VAL A 14 1.706 2.061 -14.481 1.00 0.00 O ATOM 148 CB VAL A 14 2.924 3.137 -17.291 1.00 0.00 C ATOM 149 CG1 VAL A 14 2.803 4.305 -16.325 1.00 0.00 C ATOM 150 CG2 VAL A 14 4.364 2.658 -17.384 1.00 0.00 C ATOM 0 H VAL A 14 0.112 2.499 -16.106 1.00 0.00 H new ATOM 0 HA VAL A 14 2.164 1.130 -17.520 1.00 0.00 H new ATOM 0 HB VAL A 14 2.615 3.480 -18.279 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.464 5.111 -16.644 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.774 4.663 -16.314 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.084 3.980 -15.324 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.004 3.486 -17.688 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.688 2.288 -16.411 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.434 1.856 -18.119 1.00 0.00 H new ATOM 160 N ALA A 15 3.320 0.711 -15.276 1.00 0.00 N ATOM 161 CA ALA A 15 3.738 0.251 -13.958 1.00 0.00 C ATOM 162 C ALA A 15 5.039 0.921 -13.530 1.00 0.00 C ATOM 163 O ALA A 15 6.127 0.460 -13.873 1.00 0.00 O ATOM 164 CB ALA A 15 3.894 -1.262 -13.952 1.00 0.00 C ATOM 0 H ALA A 15 3.847 0.307 -16.050 1.00 0.00 H new ATOM 0 HA ALA A 15 2.965 0.528 -13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.207 -1.592 -12.961 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.941 -1.727 -14.205 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.646 -1.553 -14.685 1.00 0.00 H new ATOM 170 N ALA A 16 4.919 2.011 -12.780 1.00 0.00 N ATOM 171 CA ALA A 16 6.087 2.743 -12.304 1.00 0.00 C ATOM 172 C ALA A 16 5.838 3.334 -10.920 1.00 0.00 C ATOM 173 O ALA A 16 4.694 3.434 -10.475 1.00 0.00 O ATOM 174 CB ALA A 16 6.458 3.841 -13.290 1.00 0.00 C ATOM 0 H ALA A 16 4.025 2.407 -12.489 1.00 0.00 H new ATOM 0 HA ALA A 16 6.918 2.042 -12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.331 4.380 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.686 3.398 -14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.622 4.533 -13.395 1.00 0.00 H new ATOM 180 N ILE A 17 6.915 3.723 -10.246 1.00 0.00 N ATOM 181 CA ILE A 17 6.812 4.304 -8.913 1.00 0.00 C ATOM 182 C ILE A 17 7.555 5.633 -8.834 1.00 0.00 C ATOM 183 O ILE A 17 8.633 5.788 -9.409 1.00 0.00 O ATOM 184 CB ILE A 17 7.371 3.351 -7.839 1.00 0.00 C ATOM 185 CG1 ILE A 17 6.728 1.969 -7.969 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.134 3.923 -6.450 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.319 0.938 -7.033 1.00 0.00 C ATOM 0 H ILE A 17 7.868 3.646 -10.601 1.00 0.00 H new ATOM 0 HA ILE A 17 5.752 4.471 -8.722 1.00 0.00 H new ATOM 0 HB ILE A 17 8.446 3.247 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.659 2.055 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.838 1.621 -8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.534 3.239 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.634 4.888 -6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.064 4.053 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.816 -0.018 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.383 0.824 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.185 1.264 -6.002 1.00 0.00 H new ATOM 199 N ILE A 18 6.973 6.588 -8.117 1.00 0.00 N ATOM 200 CA ILE A 18 7.582 7.903 -7.960 1.00 0.00 C ATOM 201 C ILE A 18 8.158 8.079 -6.560 1.00 0.00 C ATOM 202 O ILE A 18 7.514 7.780 -5.554 1.00 0.00 O ATOM 203 CB ILE A 18 6.566 9.030 -8.230 1.00 0.00 C ATOM 204 CG1 ILE A 18 5.957 8.873 -9.625 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.233 10.389 -8.087 1.00 0.00 C ATOM 206 CD1 ILE A 18 4.745 9.748 -9.856 1.00 0.00 C ATOM 0 H ILE A 18 6.081 6.476 -7.636 1.00 0.00 H new ATOM 0 HA ILE A 18 8.387 7.967 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 18 5.765 8.961 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.714 9.110 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.677 7.830 -9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.503 11.175 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.624 10.498 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.051 10.470 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.366 9.585 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.971 9.495 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.024 10.795 -9.738 1.00 0.00 H new ATOM 218 N PRO A 19 9.402 8.577 -6.490 1.00 0.00 N ATOM 219 CA PRO A 19 10.092 8.806 -5.217 1.00 0.00 C ATOM 220 C PRO A 19 9.482 9.957 -4.425 1.00 0.00 C ATOM 221 O PRO A 19 9.694 11.131 -4.727 1.00 0.00 O ATOM 222 CB PRO A 19 11.521 9.150 -5.646 1.00 0.00 C ATOM 223 CG PRO A 19 11.382 9.694 -7.026 1.00 0.00 C ATOM 224 CD PRO A 19 10.229 8.955 -7.648 1.00 0.00 C ATOM 0 HA PRO A 19 10.026 7.941 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.970 9.882 -4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.162 8.268 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.192 10.767 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.297 9.543 -7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.678 9.585 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.566 8.080 -8.204 1.00 0.00 H new ATOM 232 N PRO A 20 8.705 9.615 -3.387 1.00 0.00 N ATOM 233 CA PRO A 20 8.048 10.607 -2.529 1.00 0.00 C ATOM 234 C PRO A 20 9.042 11.371 -1.661 1.00 0.00 C ATOM 235 O PRO A 20 10.209 10.999 -1.537 1.00 0.00 O ATOM 236 CB PRO A 20 7.117 9.761 -1.658 1.00 0.00 C ATOM 237 CG PRO A 20 7.746 8.411 -1.630 1.00 0.00 C ATOM 238 CD PRO A 20 8.408 8.235 -2.969 1.00 0.00 C ATOM 0 HA PRO A 20 7.532 11.371 -3.110 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.028 10.177 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.112 9.720 -2.077 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.474 8.336 -0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.999 7.636 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.314 7.634 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.751 7.733 -3.679 1.00 0.00 H new ATOM 246 N PRO A 21 8.571 12.465 -1.044 1.00 0.00 N ATOM 247 CA PRO A 21 9.402 13.303 -0.175 1.00 0.00 C ATOM 248 C PRO A 21 9.766 12.604 1.130 1.00 0.00 C ATOM 249 O PRO A 21 9.191 11.578 1.494 1.00 0.00 O ATOM 250 CB PRO A 21 8.514 14.519 0.100 1.00 0.00 C ATOM 251 CG PRO A 21 7.121 14.018 -0.073 1.00 0.00 C ATOM 252 CD PRO A 21 7.190 12.966 -1.146 1.00 0.00 C ATOM 0 HA PRO A 21 10.356 13.551 -0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.673 14.906 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.731 15.332 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.738 13.601 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.449 14.826 -0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.461 12.173 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.986 13.384 -2.132 1.00 0.00 H new ATOM 260 N PRO A 22 10.743 13.171 1.854 1.00 0.00 N ATOM 261 CA PRO A 22 11.205 12.618 3.130 1.00 0.00 C ATOM 262 C PRO A 22 10.166 12.767 4.236 1.00 0.00 C ATOM 263 O PRO A 22 10.288 12.163 5.302 1.00 0.00 O ATOM 264 CB PRO A 22 12.448 13.452 3.449 1.00 0.00 C ATOM 265 CG PRO A 22 12.235 14.739 2.730 1.00 0.00 C ATOM 266 CD PRO A 22 11.472 14.395 1.481 1.00 0.00 C ATOM 0 HA PRO A 22 11.399 11.547 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.554 13.611 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.356 12.954 3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.676 15.443 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.186 15.213 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.791 15.196 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.139 14.224 0.636 1.00 0.00 H new ATOM 274 N ASP A 23 9.143 13.575 3.976 1.00 0.00 N ATOM 275 CA ASP A 23 8.082 13.802 4.949 1.00 0.00 C ATOM 276 C ASP A 23 7.005 12.727 4.840 1.00 0.00 C ATOM 277 O ASP A 23 6.298 12.441 5.807 1.00 0.00 O ATOM 278 CB ASP A 23 7.461 15.185 4.745 1.00 0.00 C ATOM 279 CG ASP A 23 7.794 16.142 5.872 1.00 0.00 C ATOM 280 OD1 ASP A 23 8.856 16.795 5.801 1.00 0.00 O ATOM 281 OD2 ASP A 23 6.994 16.237 6.827 1.00 0.00 O ATOM 0 H ASP A 23 9.027 14.083 3.099 1.00 0.00 H new ATOM 0 HA ASP A 23 8.521 13.752 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.813 15.603 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.379 15.086 4.665 1.00 0.00 H new ATOM 286 N VAL A 24 6.886 12.133 3.657 1.00 0.00 N ATOM 287 CA VAL A 24 5.896 11.089 3.421 1.00 0.00 C ATOM 288 C VAL A 24 6.556 9.718 3.326 1.00 0.00 C ATOM 289 O VAL A 24 5.914 8.693 3.552 1.00 0.00 O ATOM 290 CB VAL A 24 5.098 11.353 2.131 1.00 0.00 C ATOM 291 CG1 VAL A 24 3.998 10.317 1.962 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.519 12.760 2.141 1.00 0.00 C ATOM 0 H VAL A 24 7.463 12.357 2.847 1.00 0.00 H new ATOM 0 HA VAL A 24 5.213 11.103 4.270 1.00 0.00 H new ATOM 0 HB VAL A 24 5.776 11.270 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.445 10.520 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.440 9.322 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.319 10.365 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.958 12.929 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.855 12.874 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.329 13.486 2.211 1.00 0.00 H new ATOM 302 N GLN A 25 7.842 9.708 2.991 1.00 0.00 N ATOM 303 CA GLN A 25 8.589 8.462 2.866 1.00 0.00 C ATOM 304 C GLN A 25 8.428 7.604 4.116 1.00 0.00 C ATOM 305 O GLN A 25 7.999 6.451 4.057 1.00 0.00 O ATOM 306 CB GLN A 25 10.070 8.753 2.619 1.00 0.00 C ATOM 307 CG GLN A 25 10.551 8.332 1.240 1.00 0.00 C ATOM 308 CD GLN A 25 12.039 8.553 1.048 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.476 9.652 0.706 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.827 7.507 1.269 1.00 0.00 N ATOM 0 H GLN A 25 8.388 10.548 2.801 1.00 0.00 H new ATOM 0 HA GLN A 25 8.188 7.911 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.248 9.821 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.664 8.238 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.321 7.278 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.004 8.892 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.422 6.614 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.837 7.596 1.157 1.00 0.00 H new ATOM 319 N PRO A 26 8.782 8.175 5.277 1.00 0.00 N ATOM 320 CA PRO A 26 8.686 7.480 6.563 1.00 0.00 C ATOM 321 C PRO A 26 7.241 7.262 6.998 1.00 0.00 C ATOM 322 O PRO A 26 6.965 6.468 7.897 1.00 0.00 O ATOM 323 CB PRO A 26 9.399 8.427 7.532 1.00 0.00 C ATOM 324 CG PRO A 26 9.272 9.774 6.908 1.00 0.00 C ATOM 325 CD PRO A 26 9.302 9.545 5.422 1.00 0.00 C ATOM 0 HA PRO A 26 9.123 6.482 6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.938 8.403 8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.445 8.148 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.343 10.258 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.088 10.427 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.683 10.268 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.312 9.636 5.022 1.00 0.00 H new ATOM 333 N VAL A 27 6.320 7.973 6.354 1.00 0.00 N ATOM 334 CA VAL A 27 4.902 7.855 6.673 1.00 0.00 C ATOM 335 C VAL A 27 4.273 6.669 5.951 1.00 0.00 C ATOM 336 O VAL A 27 3.281 6.104 6.413 1.00 0.00 O ATOM 337 CB VAL A 27 4.135 9.137 6.297 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.653 8.982 6.606 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.717 10.339 7.026 1.00 0.00 C ATOM 0 H VAL A 27 6.531 8.636 5.609 1.00 0.00 H new ATOM 0 HA VAL A 27 4.831 7.700 7.750 1.00 0.00 H new ATOM 0 HB VAL A 27 4.243 9.304 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.127 9.897 6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.248 8.147 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.521 8.791 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.163 11.236 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.641 10.184 8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.765 10.460 6.750 1.00 0.00 H new ATOM 349 N ILE A 28 4.855 6.297 4.817 1.00 0.00 N ATOM 350 CA ILE A 28 4.352 5.176 4.032 1.00 0.00 C ATOM 351 C ILE A 28 5.078 3.884 4.391 1.00 0.00 C ATOM 352 O ILE A 28 4.470 2.815 4.455 1.00 0.00 O ATOM 353 CB ILE A 28 4.503 5.434 2.521 1.00 0.00 C ATOM 354 CG1 ILE A 28 3.754 6.708 2.123 1.00 0.00 C ATOM 355 CG2 ILE A 28 3.991 4.242 1.727 1.00 0.00 C ATOM 356 CD1 ILE A 28 3.939 7.087 0.670 1.00 0.00 C ATOM 0 H ILE A 28 5.676 6.755 4.421 1.00 0.00 H new ATOM 0 HA ILE A 28 3.293 5.073 4.271 1.00 0.00 H new ATOM 0 HB ILE A 28 5.560 5.570 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.691 6.573 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.094 7.531 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.104 4.439 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.563 3.354 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.938 4.078 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.381 7.999 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.997 7.255 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.573 6.281 0.034 1.00 0.00 H new ATOM 368 N ASP A 29 6.382 3.990 4.624 1.00 0.00 N ATOM 369 CA ASP A 29 7.192 2.830 4.979 1.00 0.00 C ATOM 370 C ASP A 29 6.743 2.242 6.313 1.00 0.00 C ATOM 371 O ASP A 29 6.667 1.023 6.473 1.00 0.00 O ATOM 372 CB ASP A 29 8.670 3.216 5.050 1.00 0.00 C ATOM 373 CG ASP A 29 9.512 2.160 5.739 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.538 2.143 6.987 1.00 0.00 O ATOM 375 OD2 ASP A 29 10.143 1.349 5.029 1.00 0.00 O ATOM 0 H ASP A 29 6.900 4.867 4.573 1.00 0.00 H new ATOM 0 HA ASP A 29 7.059 2.074 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.049 3.377 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.770 4.161 5.583 1.00 0.00 H new ATOM 380 N LYS A 30 6.446 3.115 7.269 1.00 0.00 N ATOM 381 CA LYS A 30 6.004 2.684 8.590 1.00 0.00 C ATOM 382 C LYS A 30 4.707 1.887 8.497 1.00 0.00 C ATOM 383 O LYS A 30 4.506 0.920 9.232 1.00 0.00 O ATOM 384 CB LYS A 30 5.807 3.895 9.505 1.00 0.00 C ATOM 385 CG LYS A 30 5.581 3.527 10.961 1.00 0.00 C ATOM 386 CD LYS A 30 4.107 3.573 11.327 1.00 0.00 C ATOM 387 CE LYS A 30 3.905 3.994 12.774 1.00 0.00 C ATOM 388 NZ LYS A 30 2.903 3.136 13.466 1.00 0.00 N ATOM 0 H LYS A 30 6.503 4.127 7.154 1.00 0.00 H new ATOM 0 HA LYS A 30 6.776 2.040 9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.683 4.540 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.955 4.474 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.972 2.527 11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.137 4.212 11.601 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.589 4.270 10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.660 2.592 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.856 3.941 13.304 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.578 5.033 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.793 3.455 14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.989 3.206 12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.227 2.148 13.456 1.00 0.00 H new ATOM 402 N LEU A 31 3.829 2.299 7.588 1.00 0.00 N ATOM 403 CA LEU A 31 2.551 1.622 7.397 1.00 0.00 C ATOM 404 C LEU A 31 2.742 0.289 6.682 1.00 0.00 C ATOM 405 O LEU A 31 2.013 -0.670 6.931 1.00 0.00 O ATOM 406 CB LEU A 31 1.596 2.511 6.599 1.00 0.00 C ATOM 407 CG LEU A 31 0.124 2.097 6.613 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.393 2.014 8.041 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.713 3.071 5.797 1.00 0.00 C ATOM 0 H LEU A 31 3.979 3.098 6.972 1.00 0.00 H new ATOM 0 HA LEU A 31 2.120 1.427 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.670 3.528 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.936 2.537 5.564 1.00 0.00 H new ATOM 0 HG LEU A 31 0.040 1.109 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.442 1.718 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.187 1.276 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.295 2.988 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.757 2.760 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.623 4.071 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.359 3.080 4.766 1.00 0.00 H new ATOM 421 N ALA A 32 3.729 0.237 5.793 1.00 0.00 N ATOM 422 CA ALA A 32 4.019 -0.980 5.044 1.00 0.00 C ATOM 423 C ALA A 32 4.330 -2.141 5.983 1.00 0.00 C ATOM 424 O ALA A 32 3.667 -3.177 5.944 1.00 0.00 O ATOM 425 CB ALA A 32 5.178 -0.747 4.087 1.00 0.00 C ATOM 0 H ALA A 32 4.341 1.023 5.574 1.00 0.00 H new ATOM 0 HA ALA A 32 3.133 -1.242 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.384 -1.664 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.918 0.048 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.064 -0.458 4.652 1.00 0.00 H new ATOM 431 N GLU A 33 5.344 -1.960 6.824 1.00 0.00 N ATOM 432 CA GLU A 33 5.743 -2.995 7.771 1.00 0.00 C ATOM 433 C GLU A 33 4.557 -3.442 8.620 1.00 0.00 C ATOM 434 O GLU A 33 4.332 -4.637 8.811 1.00 0.00 O ATOM 435 CB GLU A 33 6.868 -2.484 8.674 1.00 0.00 C ATOM 436 CG GLU A 33 7.600 -3.588 9.418 1.00 0.00 C ATOM 437 CD GLU A 33 8.800 -3.075 10.190 1.00 0.00 C ATOM 438 OE1 GLU A 33 9.727 -2.533 9.553 1.00 0.00 O ATOM 439 OE2 GLU A 33 8.812 -3.214 11.431 1.00 0.00 O ATOM 0 H GLU A 33 5.903 -1.108 6.869 1.00 0.00 H new ATOM 0 HA GLU A 33 6.104 -3.852 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.584 -1.928 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.452 -1.784 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.911 -4.075 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.928 -4.346 8.706 1.00 0.00 H new ATOM 446 N TYR A 34 3.803 -2.474 9.128 1.00 0.00 N ATOM 447 CA TYR A 34 2.641 -2.767 9.960 1.00 0.00 C ATOM 448 C TYR A 34 1.668 -3.689 9.232 1.00 0.00 C ATOM 449 O TYR A 34 1.322 -4.761 9.727 1.00 0.00 O ATOM 450 CB TYR A 34 1.933 -1.471 10.358 1.00 0.00 C ATOM 451 CG TYR A 34 0.998 -1.628 11.536 1.00 0.00 C ATOM 452 CD1 TYR A 34 -0.265 -2.184 11.376 1.00 0.00 C ATOM 453 CD2 TYR A 34 1.378 -1.221 12.809 1.00 0.00 C ATOM 454 CE1 TYR A 34 -1.123 -2.329 12.449 1.00 0.00 C ATOM 455 CE2 TYR A 34 0.528 -1.365 13.888 1.00 0.00 C ATOM 456 CZ TYR A 34 -0.721 -1.919 13.703 1.00 0.00 C ATOM 457 OH TYR A 34 -1.572 -2.062 14.775 1.00 0.00 O ATOM 0 H TYR A 34 3.975 -1.480 8.979 1.00 0.00 H new ATOM 0 HA TYR A 34 2.989 -3.274 10.860 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.682 -0.717 10.598 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.368 -1.099 9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.582 -2.509 10.396 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.355 -0.785 12.957 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.103 -2.761 12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.840 -1.045 14.871 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.136 -1.725 15.586 1.00 0.00 H new ATOM 467 N VAL A 35 1.231 -3.262 8.051 1.00 0.00 N ATOM 468 CA VAL A 35 0.299 -4.049 7.252 1.00 0.00 C ATOM 469 C VAL A 35 0.911 -5.386 6.851 1.00 0.00 C ATOM 470 O VAL A 35 0.203 -6.379 6.683 1.00 0.00 O ATOM 471 CB VAL A 35 -0.128 -3.291 5.981 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.077 -4.139 5.147 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.770 -1.960 6.344 1.00 0.00 C ATOM 0 H VAL A 35 1.507 -2.376 7.627 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.579 -4.227 7.873 1.00 0.00 H new ATOM 0 HB VAL A 35 0.761 -3.089 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.368 -3.587 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.579 -5.064 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.965 -4.374 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.065 -1.438 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.650 -2.137 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.055 -1.350 6.896 1.00 0.00 H new ATOM 483 N ALA A 36 2.231 -5.405 6.702 1.00 0.00 N ATOM 484 CA ALA A 36 2.940 -6.622 6.324 1.00 0.00 C ATOM 485 C ALA A 36 2.909 -7.648 7.451 1.00 0.00 C ATOM 486 O ALA A 36 2.945 -8.854 7.207 1.00 0.00 O ATOM 487 CB ALA A 36 4.377 -6.298 5.941 1.00 0.00 C ATOM 0 H ALA A 36 2.832 -4.592 6.837 1.00 0.00 H new ATOM 0 HA ALA A 36 2.434 -7.055 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.895 -7.215 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.382 -5.607 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.885 -5.839 6.789 1.00 0.00 H new ATOM 493 N ARG A 37 2.843 -7.161 8.686 1.00 0.00 N ATOM 494 CA ARG A 37 2.809 -8.037 9.851 1.00 0.00 C ATOM 495 C ARG A 37 1.372 -8.390 10.225 1.00 0.00 C ATOM 496 O ARG A 37 1.027 -9.563 10.363 1.00 0.00 O ATOM 497 CB ARG A 37 3.506 -7.369 11.038 1.00 0.00 C ATOM 498 CG ARG A 37 4.880 -7.944 11.339 1.00 0.00 C ATOM 499 CD ARG A 37 4.792 -9.136 12.279 1.00 0.00 C ATOM 500 NE ARG A 37 5.964 -9.240 13.144 1.00 0.00 N ATOM 501 CZ ARG A 37 6.065 -10.108 14.145 1.00 0.00 C ATOM 502 NH1 ARG A 37 5.068 -10.943 14.405 1.00 0.00 N ATOM 503 NH2 ARG A 37 7.164 -10.141 14.887 1.00 0.00 N ATOM 0 H ARG A 37 2.812 -6.165 8.905 1.00 0.00 H new ATOM 0 HA ARG A 37 3.337 -8.957 9.598 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.604 -6.302 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.877 -7.471 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.360 -8.248 10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.508 -7.173 11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.895 -9.048 12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.690 -10.051 11.695 1.00 0.00 H new ATOM 0 HE ARG A 37 6.748 -8.612 12.970 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.222 -10.920 13.836 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.148 -11.609 15.174 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.932 -9.500 14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.241 -10.808 15.655 1.00 0.00 H new ATOM 517 N ASN A 38 0.540 -7.367 10.386 1.00 0.00 N ATOM 518 CA ASN A 38 -0.860 -7.569 10.744 1.00 0.00 C ATOM 519 C ASN A 38 -1.616 -8.259 9.613 1.00 0.00 C ATOM 520 O ASN A 38 -2.165 -9.346 9.792 1.00 0.00 O ATOM 521 CB ASN A 38 -1.522 -6.230 11.074 1.00 0.00 C ATOM 522 CG ASN A 38 -1.223 -5.769 12.487 1.00 0.00 C ATOM 523 OD1 ASN A 38 -2.128 -5.396 13.235 1.00 0.00 O ATOM 524 ND2 ASN A 38 0.051 -5.794 12.861 1.00 0.00 N ATOM 0 H ASN A 38 0.810 -6.390 10.274 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.896 -8.210 11.625 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.178 -5.474 10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.601 -6.320 10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.312 -5.497 13.801 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.768 -6.111 12.208 1.00 0.00 H new ATOM 531 N GLY A 39 -1.641 -7.619 8.448 1.00 0.00 N ATOM 532 CA GLY A 39 -2.332 -8.186 7.305 1.00 0.00 C ATOM 533 C GLY A 39 -2.982 -7.127 6.437 1.00 0.00 C ATOM 534 O GLY A 39 -3.181 -5.992 6.873 1.00 0.00 O ATOM 0 H GLY A 39 -1.195 -6.718 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.626 -8.760 6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.094 -8.883 7.654 1.00 0.00 H new ATOM 538 N LEU A 40 -3.312 -7.495 5.204 1.00 0.00 N ATOM 539 CA LEU A 40 -3.942 -6.568 4.271 1.00 0.00 C ATOM 540 C LEU A 40 -5.253 -6.032 4.837 1.00 0.00 C ATOM 541 O LEU A 40 -5.686 -4.932 4.495 1.00 0.00 O ATOM 542 CB LEU A 40 -4.196 -7.257 2.929 1.00 0.00 C ATOM 543 CG LEU A 40 -2.988 -7.385 2.001 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.738 -8.843 1.648 1.00 0.00 C ATOM 545 CD2 LEU A 40 -3.194 -6.558 0.740 1.00 0.00 C ATOM 0 H LEU A 40 -3.154 -8.429 4.827 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.264 -5.729 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.586 -8.256 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.976 -6.707 2.403 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.111 -7.003 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.874 -8.914 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.546 -9.410 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.615 -9.251 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.324 -6.661 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.082 -6.910 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.323 -5.510 1.009 1.00 0.00 H new ATOM 557 N LYS A 41 -5.881 -6.817 5.706 1.00 0.00 N ATOM 558 CA LYS A 41 -7.141 -6.422 6.324 1.00 0.00 C ATOM 559 C LYS A 41 -7.004 -5.074 7.024 1.00 0.00 C ATOM 560 O LYS A 41 -7.977 -4.330 7.157 1.00 0.00 O ATOM 561 CB LYS A 41 -7.597 -7.485 7.325 1.00 0.00 C ATOM 562 CG LYS A 41 -8.780 -8.307 6.843 1.00 0.00 C ATOM 563 CD LYS A 41 -9.077 -9.463 7.784 1.00 0.00 C ATOM 564 CE LYS A 41 -8.577 -10.783 7.219 1.00 0.00 C ATOM 565 NZ LYS A 41 -8.750 -11.902 8.187 1.00 0.00 N ATOM 0 H LYS A 41 -5.537 -7.732 5.998 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.890 -6.328 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.763 -8.154 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.862 -6.998 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.659 -7.668 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.573 -8.693 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.607 -9.278 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.151 -9.524 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.116 -11.012 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.523 -10.690 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.397 -12.784 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.215 -11.696 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.758 -12.008 8.418 1.00 0.00 H new ATOM 579 N PHE A 42 -5.791 -4.763 7.470 1.00 0.00 N ATOM 580 CA PHE A 42 -5.528 -3.504 8.156 1.00 0.00 C ATOM 581 C PHE A 42 -5.631 -2.327 7.191 1.00 0.00 C ATOM 582 O PHE A 42 -5.985 -1.217 7.586 1.00 0.00 O ATOM 583 CB PHE A 42 -4.140 -3.531 8.800 1.00 0.00 C ATOM 584 CG PHE A 42 -3.847 -2.323 9.643 1.00 0.00 C ATOM 585 CD1 PHE A 42 -4.372 -2.211 10.921 1.00 0.00 C ATOM 586 CD2 PHE A 42 -3.048 -1.300 9.159 1.00 0.00 C ATOM 587 CE1 PHE A 42 -4.104 -1.101 11.700 1.00 0.00 C ATOM 588 CE2 PHE A 42 -2.777 -0.188 9.934 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.307 -0.088 11.206 1.00 0.00 C ATOM 0 H PHE A 42 -4.975 -5.366 7.368 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.280 -3.379 8.935 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.052 -4.425 9.417 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.386 -3.609 8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.997 -3.000 11.312 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.632 -1.372 8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.518 -1.026 12.695 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.151 0.602 9.546 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.098 0.781 11.813 1.00 0.00 H new ATOM 599 N GLU A 43 -5.318 -2.579 5.924 1.00 0.00 N ATOM 600 CA GLU A 43 -5.374 -1.539 4.902 1.00 0.00 C ATOM 601 C GLU A 43 -6.814 -1.100 4.652 1.00 0.00 C ATOM 602 O GLU A 43 -7.068 0.037 4.252 1.00 0.00 O ATOM 603 CB GLU A 43 -4.747 -2.039 3.599 1.00 0.00 C ATOM 604 CG GLU A 43 -4.675 -0.980 2.513 1.00 0.00 C ATOM 605 CD GLU A 43 -5.392 -1.396 1.243 1.00 0.00 C ATOM 606 OE1 GLU A 43 -6.640 -1.455 1.257 1.00 0.00 O ATOM 607 OE2 GLU A 43 -4.705 -1.663 0.235 1.00 0.00 O ATOM 0 H GLU A 43 -5.023 -3.493 5.580 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.808 -0.680 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.741 -2.404 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.324 -2.887 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.112 -0.053 2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.630 -0.771 2.284 1.00 0.00 H new ATOM 614 N THR A 44 -7.754 -2.010 4.888 1.00 0.00 N ATOM 615 CA THR A 44 -9.168 -1.719 4.687 1.00 0.00 C ATOM 616 C THR A 44 -9.684 -0.747 5.741 1.00 0.00 C ATOM 617 O THR A 44 -10.562 0.072 5.467 1.00 0.00 O ATOM 618 CB THR A 44 -10.017 -3.003 4.729 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.508 -3.959 3.792 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.473 -2.700 4.410 1.00 0.00 C ATOM 0 H THR A 44 -7.561 -2.955 5.219 1.00 0.00 H new ATOM 0 HA THR A 44 -9.260 -1.264 3.701 1.00 0.00 H new ATOM 0 HB THR A 44 -9.960 -3.416 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.053 -4.773 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.053 -3.622 4.446 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.867 -1.995 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.544 -2.265 3.413 1.00 0.00 H new ATOM 628 N SER A 45 -9.133 -0.841 6.947 1.00 0.00 N ATOM 629 CA SER A 45 -9.541 0.030 8.043 1.00 0.00 C ATOM 630 C SER A 45 -9.016 1.447 7.836 1.00 0.00 C ATOM 631 O SER A 45 -9.775 2.415 7.880 1.00 0.00 O ATOM 632 CB SER A 45 -9.036 -0.524 9.377 1.00 0.00 C ATOM 633 OG SER A 45 -8.151 -1.612 9.175 1.00 0.00 O ATOM 0 H SER A 45 -8.403 -1.511 7.190 1.00 0.00 H new ATOM 0 HA SER A 45 -10.630 0.065 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.528 0.264 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.882 -0.847 9.984 1.00 0.00 H new ATOM 0 HG SER A 45 -7.342 -1.296 8.721 1.00 0.00 H new ATOM 639 N VAL A 46 -7.711 1.560 7.611 1.00 0.00 N ATOM 640 CA VAL A 46 -7.082 2.858 7.396 1.00 0.00 C ATOM 641 C VAL A 46 -7.725 3.593 6.225 1.00 0.00 C ATOM 642 O VAL A 46 -7.851 4.817 6.241 1.00 0.00 O ATOM 643 CB VAL A 46 -5.572 2.713 7.130 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.324 1.796 5.942 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.938 4.077 6.902 1.00 0.00 C ATOM 0 H VAL A 46 -7.069 0.769 7.573 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.229 3.436 8.309 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.108 2.264 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.252 1.706 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.742 0.811 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.800 2.213 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.871 3.956 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.405 4.556 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.084 4.698 7.786 1.00 0.00 H new ATOM 655 N ARG A 47 -8.130 2.837 5.210 1.00 0.00 N ATOM 656 CA ARG A 47 -8.759 3.417 4.029 1.00 0.00 C ATOM 657 C ARG A 47 -10.181 3.875 4.341 1.00 0.00 C ATOM 658 O ARG A 47 -10.617 4.931 3.883 1.00 0.00 O ATOM 659 CB ARG A 47 -8.779 2.401 2.885 1.00 0.00 C ATOM 660 CG ARG A 47 -9.099 3.015 1.532 1.00 0.00 C ATOM 661 CD ARG A 47 -9.617 1.970 0.555 1.00 0.00 C ATOM 662 NE ARG A 47 -10.162 2.577 -0.656 1.00 0.00 N ATOM 663 CZ ARG A 47 -10.569 1.876 -1.710 1.00 0.00 C ATOM 664 NH1 ARG A 47 -10.492 0.553 -1.700 1.00 0.00 N ATOM 665 NH2 ARG A 47 -11.053 2.500 -2.776 1.00 0.00 N ATOM 0 H ARG A 47 -8.034 1.822 5.181 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.174 4.285 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.808 1.908 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.516 1.630 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.844 3.801 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.204 3.485 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.808 1.291 0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.388 1.371 1.039 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.234 3.594 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.120 0.070 -0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.805 0.018 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.113 3.518 -2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.365 1.962 -3.584 1.00 0.00 H new ATOM 679 N ALA A 48 -10.898 3.074 5.122 1.00 0.00 N ATOM 680 CA ALA A 48 -12.269 3.398 5.496 1.00 0.00 C ATOM 681 C ALA A 48 -12.344 4.759 6.179 1.00 0.00 C ATOM 682 O ALA A 48 -13.359 5.452 6.096 1.00 0.00 O ATOM 683 CB ALA A 48 -12.838 2.318 6.404 1.00 0.00 C ATOM 0 H ALA A 48 -10.552 2.196 5.508 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.867 3.444 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.862 2.573 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.829 1.361 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.231 2.245 7.307 1.00 0.00 H new ATOM 689 N LYS A 49 -11.265 5.138 6.855 1.00 0.00 N ATOM 690 CA LYS A 49 -11.207 6.417 7.553 1.00 0.00 C ATOM 691 C LYS A 49 -11.208 7.577 6.563 1.00 0.00 C ATOM 692 O LYS A 49 -11.694 8.665 6.868 1.00 0.00 O ATOM 693 CB LYS A 49 -9.958 6.485 8.434 1.00 0.00 C ATOM 694 CG LYS A 49 -9.827 5.316 9.395 1.00 0.00 C ATOM 695 CD LYS A 49 -9.095 5.717 10.665 1.00 0.00 C ATOM 696 CE LYS A 49 -7.795 4.945 10.826 1.00 0.00 C ATOM 697 NZ LYS A 49 -7.115 5.266 12.112 1.00 0.00 N ATOM 0 H LYS A 49 -10.417 4.576 6.934 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.093 6.499 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.075 6.521 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.976 7.413 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.818 4.940 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.292 4.501 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.884 6.786 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.736 5.537 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.000 3.875 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.129 5.178 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.233 4.720 12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.897 6.282 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.740 5.020 12.906 1.00 0.00 H new ATOM 711 N ASN A 50 -10.661 7.336 5.376 1.00 0.00 N ATOM 712 CA ASN A 50 -10.600 8.362 4.340 1.00 0.00 C ATOM 713 C ASN A 50 -9.980 9.646 4.883 1.00 0.00 C ATOM 714 O ASN A 50 -10.595 10.711 4.837 1.00 0.00 O ATOM 715 CB ASN A 50 -12.000 8.648 3.794 1.00 0.00 C ATOM 716 CG ASN A 50 -11.964 9.275 2.413 1.00 0.00 C ATOM 717 OD1 ASN A 50 -11.300 10.288 2.196 1.00 0.00 O ATOM 718 ND2 ASN A 50 -12.681 8.672 1.472 1.00 0.00 N ATOM 0 H ASN A 50 -10.254 6.440 5.107 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.971 7.990 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.568 7.719 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.525 9.314 4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.696 9.047 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.217 7.834 1.698 1.00 0.00 H new ATOM 725 N ASP A 51 -8.759 9.537 5.395 1.00 0.00 N ATOM 726 CA ASP A 51 -8.055 10.690 5.945 1.00 0.00 C ATOM 727 C ASP A 51 -7.215 11.376 4.873 1.00 0.00 C ATOM 728 O ASP A 51 -6.685 10.722 3.975 1.00 0.00 O ATOM 729 CB ASP A 51 -7.164 10.261 7.112 1.00 0.00 C ATOM 730 CG ASP A 51 -6.846 11.408 8.050 1.00 0.00 C ATOM 731 OD1 ASP A 51 -7.710 12.294 8.217 1.00 0.00 O ATOM 732 OD2 ASP A 51 -5.734 11.421 8.617 1.00 0.00 O ATOM 0 H ASP A 51 -8.236 8.662 5.441 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.799 11.400 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.659 9.466 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.235 9.846 6.722 1.00 0.00 H new ATOM 737 N GLN A 52 -7.101 12.696 4.973 1.00 0.00 N ATOM 738 CA GLN A 52 -6.327 13.470 4.010 1.00 0.00 C ATOM 739 C GLN A 52 -4.864 13.038 4.013 1.00 0.00 C ATOM 740 O GLN A 52 -4.239 12.923 2.959 1.00 0.00 O ATOM 741 CB GLN A 52 -6.430 14.964 4.323 1.00 0.00 C ATOM 742 CG GLN A 52 -6.753 15.820 3.109 1.00 0.00 C ATOM 743 CD GLN A 52 -6.937 17.283 3.459 1.00 0.00 C ATOM 744 OE1 GLN A 52 -7.930 17.666 4.078 1.00 0.00 O ATOM 745 NE2 GLN A 52 -5.977 18.112 3.065 1.00 0.00 N ATOM 0 H GLN A 52 -7.534 13.252 5.710 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.740 13.284 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.200 15.116 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.488 15.302 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.951 15.724 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.662 15.446 2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.171 17.753 2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.046 19.108 3.273 1.00 0.00 H new ATOM 754 N ARG A 53 -4.325 12.800 5.204 1.00 0.00 N ATOM 755 CA ARG A 53 -2.936 12.382 5.345 1.00 0.00 C ATOM 756 C ARG A 53 -2.735 10.972 4.798 1.00 0.00 C ATOM 757 O ARG A 53 -1.668 10.642 4.280 1.00 0.00 O ATOM 758 CB ARG A 53 -2.510 12.438 6.813 1.00 0.00 C ATOM 759 CG ARG A 53 -2.617 13.824 7.426 1.00 0.00 C ATOM 760 CD ARG A 53 -1.822 13.925 8.719 1.00 0.00 C ATOM 761 NE ARG A 53 -0.609 14.721 8.554 1.00 0.00 N ATOM 762 CZ ARG A 53 0.338 14.817 9.481 1.00 0.00 C ATOM 763 NH1 ARG A 53 0.214 14.169 10.631 1.00 0.00 N ATOM 764 NH2 ARG A 53 1.413 15.562 9.257 1.00 0.00 N ATOM 0 H ARG A 53 -4.830 12.890 6.086 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.316 13.068 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.127 11.747 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.480 12.091 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.254 14.566 6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.664 14.056 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.445 14.371 9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.556 12.925 9.060 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.482 15.231 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.610 13.594 10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.943 14.245 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.512 16.061 8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.140 15.636 9.969 1.00 0.00 H new ATOM 778 N PHE A 54 -3.767 10.143 4.919 1.00 0.00 N ATOM 779 CA PHE A 54 -3.703 8.768 4.439 1.00 0.00 C ATOM 780 C PHE A 54 -4.335 8.645 3.056 1.00 0.00 C ATOM 781 O PHE A 54 -5.043 7.680 2.770 1.00 0.00 O ATOM 782 CB PHE A 54 -4.410 7.830 5.420 1.00 0.00 C ATOM 783 CG PHE A 54 -3.643 7.604 6.692 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.450 6.900 6.681 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.116 8.095 7.898 1.00 0.00 C ATOM 786 CE1 PHE A 54 -1.742 6.690 7.849 1.00 0.00 C ATOM 787 CE2 PHE A 54 -3.412 7.889 9.069 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.224 7.184 9.045 1.00 0.00 C ATOM 0 H PHE A 54 -4.657 10.400 5.345 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.653 8.483 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.389 8.243 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.581 6.870 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.069 6.511 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.045 8.645 7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.813 6.140 7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.790 8.279 10.002 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.674 7.020 9.960 1.00 0.00 H new ATOM 798 N GLU A 55 -4.072 9.630 2.202 1.00 0.00 N ATOM 799 CA GLU A 55 -4.616 9.632 0.849 1.00 0.00 C ATOM 800 C GLU A 55 -3.734 8.818 -0.093 1.00 0.00 C ATOM 801 O GLU A 55 -4.210 8.271 -1.089 1.00 0.00 O ATOM 802 CB GLU A 55 -4.747 11.066 0.331 1.00 0.00 C ATOM 803 CG GLU A 55 -6.176 11.582 0.321 1.00 0.00 C ATOM 804 CD GLU A 55 -6.273 13.023 -0.140 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.026 13.281 -1.337 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.597 13.892 0.696 1.00 0.00 O ATOM 0 H GLU A 55 -3.486 10.435 2.423 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.604 9.173 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.137 11.724 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.345 11.116 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.780 10.954 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.596 11.496 1.323 1.00 0.00 H new ATOM 813 N PHE A 56 -2.447 8.742 0.228 1.00 0.00 N ATOM 814 CA PHE A 56 -1.498 7.996 -0.590 1.00 0.00 C ATOM 815 C PHE A 56 -1.940 6.544 -0.748 1.00 0.00 C ATOM 816 O PHE A 56 -1.581 5.876 -1.719 1.00 0.00 O ATOM 817 CB PHE A 56 -0.102 8.051 0.034 1.00 0.00 C ATOM 818 CG PHE A 56 -0.046 7.493 1.428 1.00 0.00 C ATOM 819 CD1 PHE A 56 0.217 6.149 1.641 1.00 0.00 C ATOM 820 CD2 PHE A 56 -0.255 8.313 2.525 1.00 0.00 C ATOM 821 CE1 PHE A 56 0.269 5.634 2.922 1.00 0.00 C ATOM 822 CE2 PHE A 56 -0.205 7.803 3.809 1.00 0.00 C ATOM 823 CZ PHE A 56 0.059 6.462 4.007 1.00 0.00 C ATOM 0 H PHE A 56 -2.037 9.188 1.049 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.466 8.457 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.592 7.498 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.239 9.086 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.383 5.497 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.459 9.363 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.474 4.585 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.372 8.452 4.656 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.101 6.061 5.009 1.00 0.00 H new ATOM 833 N LEU A 57 -2.720 6.062 0.212 1.00 0.00 N ATOM 834 CA LEU A 57 -3.212 4.688 0.181 1.00 0.00 C ATOM 835 C LEU A 57 -4.249 4.506 -0.923 1.00 0.00 C ATOM 836 O LEU A 57 -4.445 3.401 -1.426 1.00 0.00 O ATOM 837 CB LEU A 57 -3.819 4.312 1.534 1.00 0.00 C ATOM 838 CG LEU A 57 -2.840 3.793 2.587 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.305 4.176 3.983 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.682 2.284 2.471 1.00 0.00 C ATOM 0 H LEU A 57 -3.026 6.601 1.022 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.368 4.030 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.326 5.188 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.581 3.551 1.369 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.868 4.255 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.596 3.798 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.365 5.261 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.288 3.743 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.981 1.932 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.649 1.804 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.302 2.033 1.481 1.00 0.00 H new ATOM 852 N GLN A 58 -4.907 5.599 -1.295 1.00 0.00 N ATOM 853 CA GLN A 58 -5.923 5.560 -2.341 1.00 0.00 C ATOM 854 C GLN A 58 -5.359 4.960 -3.625 1.00 0.00 C ATOM 855 O GLN A 58 -4.158 5.017 -3.890 1.00 0.00 O ATOM 856 CB GLN A 58 -6.460 6.966 -2.613 1.00 0.00 C ATOM 857 CG GLN A 58 -7.273 7.540 -1.464 1.00 0.00 C ATOM 858 CD GLN A 58 -8.313 6.568 -0.942 1.00 0.00 C ATOM 859 OE1 GLN A 58 -8.126 5.940 0.101 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.418 6.437 -1.667 1.00 0.00 N ATOM 0 H GLN A 58 -4.755 6.522 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.741 4.928 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.623 7.631 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.080 6.942 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.601 7.818 -0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.768 8.453 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.532 6.977 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.153 5.797 -1.366 1.00 0.00 H new ATOM 869 N PRO A 59 -6.245 4.372 -4.443 1.00 0.00 N ATOM 870 CA PRO A 59 -5.859 3.751 -5.713 1.00 0.00 C ATOM 871 C PRO A 59 -5.432 4.780 -6.755 1.00 0.00 C ATOM 872 O PRO A 59 -4.389 4.635 -7.392 1.00 0.00 O ATOM 873 CB PRO A 59 -7.135 3.035 -6.160 1.00 0.00 C ATOM 874 CG PRO A 59 -8.241 3.786 -5.504 1.00 0.00 C ATOM 875 CD PRO A 59 -7.692 4.268 -4.190 1.00 0.00 C ATOM 0 HA PRO A 59 -5.001 3.089 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.237 3.048 -7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.130 1.989 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.565 4.623 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.111 3.147 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.120 5.229 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.910 3.569 -3.383 1.00 0.00 H new ATOM 883 N TRP A 60 -6.244 5.817 -6.922 1.00 0.00 N ATOM 884 CA TRP A 60 -5.950 6.870 -7.887 1.00 0.00 C ATOM 885 C TRP A 60 -4.626 7.553 -7.560 1.00 0.00 C ATOM 886 O TRP A 60 -3.913 8.007 -8.456 1.00 0.00 O ATOM 887 CB TRP A 60 -7.079 7.902 -7.908 1.00 0.00 C ATOM 888 CG TRP A 60 -7.344 8.518 -6.568 1.00 0.00 C ATOM 889 CD1 TRP A 60 -8.206 8.062 -5.612 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.746 9.706 -6.037 1.00 0.00 C ATOM 891 NE1 TRP A 60 -8.179 8.894 -4.519 1.00 0.00 N ATOM 892 CE2 TRP A 60 -7.291 9.909 -4.754 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.801 10.615 -6.520 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.922 10.985 -3.952 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -5.436 11.683 -5.722 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.995 11.860 -4.449 1.00 0.00 C ATOM 0 H TRP A 60 -7.111 5.951 -6.402 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.868 6.412 -8.873 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.829 8.689 -8.619 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.991 7.425 -8.268 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.819 7.177 -5.702 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.731 8.775 -3.670 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.364 10.485 -7.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -7.352 11.124 -2.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.708 12.393 -6.086 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.688 12.704 -3.849 1.00 0.00 H new ATOM 907 N HIS A 61 -4.304 7.624 -6.273 1.00 0.00 N ATOM 908 CA HIS A 61 -3.064 8.252 -5.828 1.00 0.00 C ATOM 909 C HIS A 61 -1.855 7.589 -6.481 1.00 0.00 C ATOM 910 O HIS A 61 -1.910 6.422 -6.868 1.00 0.00 O ATOM 911 CB HIS A 61 -2.944 8.172 -4.306 1.00 0.00 C ATOM 912 CG HIS A 61 -2.608 9.482 -3.662 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.347 10.039 -3.704 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.377 10.346 -2.960 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.355 11.188 -3.054 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.574 11.398 -2.592 1.00 0.00 N ATOM 0 H HIS A 61 -4.884 7.255 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.088 9.300 -6.128 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.884 7.805 -3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.176 7.442 -4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.426 10.230 -2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.508 11.845 -2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.871 12.209 -2.050 1.00 0.00 H new ATOM 924 N GLN A 62 -0.766 8.341 -6.600 1.00 0.00 N ATOM 925 CA GLN A 62 0.456 7.826 -7.207 1.00 0.00 C ATOM 926 C GLN A 62 1.361 7.193 -6.156 1.00 0.00 C ATOM 927 O GLN A 62 2.024 6.189 -6.417 1.00 0.00 O ATOM 928 CB GLN A 62 1.202 8.947 -7.932 1.00 0.00 C ATOM 929 CG GLN A 62 1.536 10.132 -7.039 1.00 0.00 C ATOM 930 CD GLN A 62 2.339 11.197 -7.759 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.008 11.589 -8.878 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.400 11.673 -7.119 1.00 0.00 N ATOM 0 H GLN A 62 -0.705 9.309 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 62 0.177 7.059 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.125 8.546 -8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.596 9.293 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.612 10.571 -6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.098 9.782 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.638 11.319 -6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.978 12.393 -7.554 1.00 0.00 H new ATOM 941 N TYR A 63 1.384 7.785 -4.967 1.00 0.00 N ATOM 942 CA TYR A 63 2.210 7.280 -3.877 1.00 0.00 C ATOM 943 C TYR A 63 1.861 5.830 -3.556 1.00 0.00 C ATOM 944 O TYR A 63 2.689 5.081 -3.040 1.00 0.00 O ATOM 945 CB TYR A 63 2.032 8.148 -2.630 1.00 0.00 C ATOM 946 CG TYR A 63 2.595 9.544 -2.778 1.00 0.00 C ATOM 947 CD1 TYR A 63 3.837 9.754 -3.364 1.00 0.00 C ATOM 948 CD2 TYR A 63 1.884 10.651 -2.332 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.355 11.028 -3.500 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.394 11.928 -2.466 1.00 0.00 C ATOM 951 CZ TYR A 63 3.630 12.111 -3.050 1.00 0.00 C ATOM 952 OH TYR A 63 4.143 13.381 -3.185 1.00 0.00 O ATOM 0 H TYR A 63 0.840 8.615 -4.734 1.00 0.00 H new ATOM 0 HA TYR A 63 3.252 7.322 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.970 8.217 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.515 7.658 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.407 8.908 -3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.917 10.511 -1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.323 11.175 -3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.828 12.778 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 63 3.508 14.031 -2.819 1.00 0.00 H new ATOM 962 N ASN A 64 0.628 5.443 -3.865 1.00 0.00 N ATOM 963 CA ASN A 64 0.168 4.082 -3.610 1.00 0.00 C ATOM 964 C ASN A 64 1.132 3.061 -4.206 1.00 0.00 C ATOM 965 O ASN A 64 1.306 1.968 -3.668 1.00 0.00 O ATOM 966 CB ASN A 64 -1.233 3.878 -4.191 1.00 0.00 C ATOM 967 CG ASN A 64 -1.824 2.534 -3.814 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.985 1.655 -4.661 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.152 2.368 -2.538 1.00 0.00 N ATOM 0 H ASN A 64 -0.070 6.052 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 64 0.132 3.933 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.890 4.673 -3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.189 3.961 -5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.555 1.485 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.001 3.124 -1.870 1.00 0.00 H new ATOM 976 N ALA A 65 1.756 3.426 -5.321 1.00 0.00 N ATOM 977 CA ALA A 65 2.704 2.543 -5.990 1.00 0.00 C ATOM 978 C ALA A 65 3.888 2.222 -5.083 1.00 0.00 C ATOM 979 O ALA A 65 4.295 1.066 -4.964 1.00 0.00 O ATOM 980 CB ALA A 65 3.186 3.172 -7.288 1.00 0.00 C ATOM 0 H ALA A 65 1.622 4.327 -5.780 1.00 0.00 H new ATOM 0 HA ALA A 65 2.192 1.609 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.893 2.502 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.335 3.344 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.676 4.121 -7.072 1.00 0.00 H new ATOM 986 N TYR A 66 4.437 3.252 -4.448 1.00 0.00 N ATOM 987 CA TYR A 66 5.576 3.079 -3.555 1.00 0.00 C ATOM 988 C TYR A 66 5.184 2.273 -2.321 1.00 0.00 C ATOM 989 O TYR A 66 6.012 1.581 -1.728 1.00 0.00 O ATOM 990 CB TYR A 66 6.131 4.441 -3.134 1.00 0.00 C ATOM 991 CG TYR A 66 7.322 4.349 -2.206 1.00 0.00 C ATOM 992 CD1 TYR A 66 7.151 4.277 -0.829 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.618 4.333 -2.707 1.00 0.00 C ATOM 994 CE1 TYR A 66 8.236 4.194 0.022 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.708 4.249 -1.864 1.00 0.00 C ATOM 996 CZ TYR A 66 9.512 4.180 -0.500 1.00 0.00 C ATOM 997 OH TYR A 66 10.596 4.096 0.344 1.00 0.00 O ATOM 0 H TYR A 66 4.112 4.215 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 66 6.348 2.530 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.418 4.998 -4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.341 5.010 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.153 4.286 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.775 4.387 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.086 4.140 1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.709 4.237 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 66 11.422 4.096 -0.183 1.00 0.00 H new ATOM 1007 N TYR A 67 3.915 2.368 -1.939 1.00 0.00 N ATOM 1008 CA TYR A 67 3.412 1.650 -0.774 1.00 0.00 C ATOM 1009 C TYR A 67 3.306 0.155 -1.060 1.00 0.00 C ATOM 1010 O TYR A 67 3.736 -0.673 -0.258 1.00 0.00 O ATOM 1011 CB TYR A 67 2.046 2.200 -0.361 1.00 0.00 C ATOM 1012 CG TYR A 67 1.365 1.385 0.715 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.939 1.240 1.972 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.149 0.758 0.475 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.321 0.496 2.958 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.477 0.013 1.455 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.113 -0.116 2.695 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.506 -0.858 3.674 1.00 0.00 O ATOM 0 H TYR A 67 3.216 2.935 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 67 4.117 1.796 0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.168 3.224 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.400 2.241 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.885 1.717 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.315 0.855 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.781 0.394 3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.423 -0.466 1.252 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.094 -1.746 3.721 1.00 0.00 H new ATOM 1028 N GLU A 68 2.730 -0.181 -2.210 1.00 0.00 N ATOM 1029 CA GLU A 68 2.566 -1.576 -2.602 1.00 0.00 C ATOM 1030 C GLU A 68 3.913 -2.293 -2.637 1.00 0.00 C ATOM 1031 O GLU A 68 3.992 -3.501 -2.411 1.00 0.00 O ATOM 1032 CB GLU A 68 1.892 -1.668 -3.973 1.00 0.00 C ATOM 1033 CG GLU A 68 0.396 -1.923 -3.899 1.00 0.00 C ATOM 1034 CD GLU A 68 -0.068 -2.968 -4.894 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.616 -3.151 -5.923 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -1.114 -3.603 -4.645 1.00 0.00 O ATOM 0 H GLU A 68 2.370 0.493 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 68 1.933 -2.063 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.068 -0.740 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.361 -2.468 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.136 -2.246 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.137 -0.990 -4.082 1.00 0.00 H new ATOM 1043 N PHE A 69 4.970 -1.540 -2.921 1.00 0.00 N ATOM 1044 CA PHE A 69 6.314 -2.102 -2.987 1.00 0.00 C ATOM 1045 C PHE A 69 6.825 -2.455 -1.594 1.00 0.00 C ATOM 1046 O PHE A 69 7.176 -3.602 -1.320 1.00 0.00 O ATOM 1047 CB PHE A 69 7.271 -1.115 -3.659 1.00 0.00 C ATOM 1048 CG PHE A 69 8.616 -1.704 -3.974 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.563 -1.872 -2.976 1.00 0.00 C ATOM 1050 CD2 PHE A 69 8.934 -2.088 -5.266 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.802 -2.413 -3.263 1.00 0.00 C ATOM 1052 CE2 PHE A 69 10.172 -2.630 -5.559 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.107 -2.793 -4.555 1.00 0.00 C ATOM 0 H PHE A 69 4.922 -0.539 -3.109 1.00 0.00 H new ATOM 0 HA PHE A 69 6.270 -3.015 -3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.817 -0.752 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.405 -0.251 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.330 -1.577 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.206 -1.963 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.532 -2.539 -2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.408 -2.925 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.075 -3.217 -4.780 1.00 0.00 H new ATOM 1063 N LYS A 70 6.865 -1.458 -0.715 1.00 0.00 N ATOM 1064 CA LYS A 70 7.333 -1.660 0.651 1.00 0.00 C ATOM 1065 C LYS A 70 6.503 -2.727 1.358 1.00 0.00 C ATOM 1066 O LYS A 70 6.983 -3.398 2.271 1.00 0.00 O ATOM 1067 CB LYS A 70 7.268 -0.347 1.433 1.00 0.00 C ATOM 1068 CG LYS A 70 8.449 0.574 1.176 1.00 0.00 C ATOM 1069 CD LYS A 70 9.753 -0.049 1.646 1.00 0.00 C ATOM 1070 CE LYS A 70 10.707 1.002 2.194 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.645 1.498 1.149 1.00 0.00 N ATOM 0 H LYS A 70 6.579 -0.502 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 70 8.368 -1.999 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.347 0.176 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.218 -0.571 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.514 0.796 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.291 1.522 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.546 -0.791 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.226 -0.574 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.135 1.838 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.276 0.579 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.599 1.587 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.667 0.827 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.325 2.427 0.808 1.00 0.00 H new ATOM 1085 N LYS A 71 5.254 -2.879 0.929 1.00 0.00 N ATOM 1086 CA LYS A 71 4.357 -3.866 1.518 1.00 0.00 C ATOM 1087 C LYS A 71 4.870 -5.282 1.274 1.00 0.00 C ATOM 1088 O LYS A 71 5.136 -6.026 2.218 1.00 0.00 O ATOM 1089 CB LYS A 71 2.949 -3.716 0.938 1.00 0.00 C ATOM 1090 CG LYS A 71 1.868 -4.354 1.793 1.00 0.00 C ATOM 1091 CD LYS A 71 0.573 -3.560 1.739 1.00 0.00 C ATOM 1092 CE LYS A 71 -0.158 -3.775 0.423 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.602 -3.429 0.528 1.00 0.00 N ATOM 0 H LYS A 71 4.840 -2.331 0.175 1.00 0.00 H new ATOM 0 HA LYS A 71 4.321 -3.691 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.726 -2.656 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.925 -4.163 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.686 -5.373 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.212 -4.421 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.071 -3.856 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.790 -2.499 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.306 -3.167 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.055 -4.816 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.110 -3.805 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.996 -3.845 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.710 -2.395 0.559 1.00 0.00 H new ATOM 1107 N GLN A 72 5.008 -5.646 0.003 1.00 0.00 N ATOM 1108 CA GLN A 72 5.491 -6.972 -0.362 1.00 0.00 C ATOM 1109 C GLN A 72 6.876 -7.229 0.223 1.00 0.00 C ATOM 1110 O GLN A 72 7.248 -8.372 0.487 1.00 0.00 O ATOM 1111 CB GLN A 72 5.531 -7.122 -1.884 1.00 0.00 C ATOM 1112 CG GLN A 72 5.340 -8.552 -2.361 1.00 0.00 C ATOM 1113 CD GLN A 72 5.836 -8.767 -3.777 1.00 0.00 C ATOM 1114 OE1 GLN A 72 6.869 -8.226 -4.174 1.00 0.00 O ATOM 1115 NE2 GLN A 72 5.102 -9.561 -4.548 1.00 0.00 N ATOM 0 H GLN A 72 4.792 -5.042 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 72 4.801 -7.708 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.755 -6.495 -2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.487 -6.750 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.868 -9.229 -1.689 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.282 -8.810 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.253 -9.989 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.387 -9.743 -5.510 1.00 0.00 H new ATOM 1124 N PHE A 73 7.636 -6.157 0.422 1.00 0.00 N ATOM 1125 CA PHE A 73 8.981 -6.266 0.975 1.00 0.00 C ATOM 1126 C PHE A 73 8.945 -6.866 2.377 1.00 0.00 C ATOM 1127 O PHE A 73 9.461 -7.960 2.609 1.00 0.00 O ATOM 1128 CB PHE A 73 9.652 -4.891 1.014 1.00 0.00 C ATOM 1129 CG PHE A 73 11.077 -4.933 1.485 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.039 -5.623 0.764 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.456 -4.283 2.648 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.352 -5.664 1.195 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.767 -4.320 3.084 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.716 -5.012 2.357 1.00 0.00 C ATOM 0 H PHE A 73 7.344 -5.203 0.209 1.00 0.00 H new ATOM 0 HA PHE A 73 9.560 -6.927 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.620 -4.452 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.080 -4.235 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.760 -6.135 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.718 -3.741 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.092 -6.205 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.049 -3.808 3.992 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.741 -5.043 2.697 1.00 0.00 H new ATOM 1144 N PHE A 74 8.335 -6.143 3.309 1.00 0.00 N ATOM 1145 CA PHE A 74 8.233 -6.602 4.690 1.00 0.00 C ATOM 1146 C PHE A 74 7.466 -7.919 4.769 1.00 0.00 C ATOM 1147 O PHE A 74 7.698 -8.733 5.664 1.00 0.00 O ATOM 1148 CB PHE A 74 7.543 -5.544 5.552 1.00 0.00 C ATOM 1149 CG PHE A 74 8.411 -4.355 5.852 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.577 -4.499 6.587 1.00 0.00 C ATOM 1151 CD2 PHE A 74 8.062 -3.094 5.397 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.378 -3.408 6.864 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.860 -1.999 5.671 1.00 0.00 C ATOM 1154 CZ PHE A 74 10.018 -2.156 6.406 1.00 0.00 C ATOM 0 H PHE A 74 7.903 -5.236 3.134 1.00 0.00 H new ATOM 0 HA PHE A 74 9.242 -6.766 5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.640 -5.205 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.229 -6.000 6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.863 -5.476 6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.157 -2.965 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.284 -3.534 7.438 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.578 -1.021 5.310 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.641 -1.301 6.622 1.00 0.00 H new ATOM 1164 N LEU A 75 6.550 -8.121 3.828 1.00 0.00 N ATOM 1165 CA LEU A 75 5.747 -9.338 3.790 1.00 0.00 C ATOM 1166 C LEU A 75 6.637 -10.577 3.777 1.00 0.00 C ATOM 1167 O LEU A 75 6.588 -11.397 4.693 1.00 0.00 O ATOM 1168 CB LEU A 75 4.838 -9.335 2.560 1.00 0.00 C ATOM 1169 CG LEU A 75 3.340 -9.195 2.833 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.566 -9.105 1.527 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.839 -10.360 3.673 1.00 0.00 C ATOM 0 H LEU A 75 6.345 -7.457 3.081 1.00 0.00 H new ATOM 0 HA LEU A 75 5.131 -9.366 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.146 -8.518 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.002 -10.262 2.010 1.00 0.00 H new ATOM 0 HG LEU A 75 3.177 -8.274 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.502 -9.006 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.905 -8.237 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.736 -10.008 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.771 -10.243 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.015 -11.295 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.371 -10.378 4.624 1.00 0.00 H new ATOM 1183 N GLN A 76 7.449 -10.705 2.732 1.00 0.00 N ATOM 1184 CA GLN A 76 8.351 -11.843 2.601 1.00 0.00 C ATOM 1185 C GLN A 76 9.705 -11.541 3.234 1.00 0.00 C ATOM 1186 O GLN A 76 10.112 -12.194 4.196 1.00 0.00 O ATOM 1187 CB GLN A 76 8.534 -12.208 1.126 1.00 0.00 C ATOM 1188 CG GLN A 76 7.360 -12.974 0.539 1.00 0.00 C ATOM 1189 CD GLN A 76 7.408 -14.454 0.862 1.00 0.00 C ATOM 1190 OE1 GLN A 76 6.770 -14.915 1.810 1.00 0.00 O ATOM 1191 NE2 GLN A 76 8.165 -15.208 0.075 1.00 0.00 N ATOM 0 H GLN A 76 7.500 -10.035 1.965 1.00 0.00 H new ATOM 0 HA GLN A 76 7.907 -12.689 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.686 -11.295 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.438 -12.807 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.430 -12.553 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.350 -12.842 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.676 -14.784 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.235 -16.211 0.244 1.00 0.00 H new ATOM 1200 N LYS A 77 10.399 -10.548 2.689 1.00 0.00 N ATOM 1201 CA LYS A 77 11.708 -10.158 3.200 1.00 0.00 C ATOM 1202 C LYS A 77 12.661 -11.349 3.222 1.00 0.00 C ATOM 1203 O LYS A 77 12.731 -12.081 4.208 1.00 0.00 O ATOM 1204 CB LYS A 77 11.574 -9.573 4.608 1.00 0.00 C ATOM 1205 CG LYS A 77 12.802 -8.806 5.067 1.00 0.00 C ATOM 1206 CD LYS A 77 12.438 -7.419 5.569 1.00 0.00 C ATOM 1207 CE LYS A 77 13.621 -6.743 6.245 1.00 0.00 C ATOM 1208 NZ LYS A 77 13.414 -6.601 7.713 1.00 0.00 N ATOM 0 H LYS A 77 10.077 -9.998 1.893 1.00 0.00 H new ATOM 0 HA LYS A 77 12.119 -9.399 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.710 -8.909 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.377 -10.382 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.303 -9.361 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.509 -8.721 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.096 -6.807 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.608 -7.491 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.525 -7.323 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.778 -5.759 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.242 -6.136 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.566 -6.026 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.290 -7.542 8.139 1.00 0.00 H new ATOM 1222 N GLU A 78 13.393 -11.535 2.128 1.00 0.00 N ATOM 1223 CA GLU A 78 14.342 -12.637 2.023 1.00 0.00 C ATOM 1224 C GLU A 78 15.757 -12.116 1.789 1.00 0.00 C ATOM 1225 O GLU A 78 16.591 -12.797 1.194 1.00 0.00 O ATOM 1226 CB GLU A 78 13.940 -13.579 0.887 1.00 0.00 C ATOM 1227 CG GLU A 78 13.968 -15.048 1.275 1.00 0.00 C ATOM 1228 CD GLU A 78 14.518 -15.933 0.173 1.00 0.00 C ATOM 1229 OE1 GLU A 78 13.933 -15.937 -0.930 1.00 0.00 O ATOM 1230 OE2 GLU A 78 15.532 -16.620 0.414 1.00 0.00 O ATOM 0 H GLU A 78 13.347 -10.937 1.303 1.00 0.00 H new ATOM 0 HA GLU A 78 14.326 -13.187 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.936 -13.320 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.610 -13.422 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.575 -15.171 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.958 -15.373 1.527 1.00 0.00 H new ATOM 1237 N GLY A 79 16.020 -10.901 2.262 1.00 0.00 N ATOM 1238 CA GLY A 79 17.334 -10.308 2.095 1.00 0.00 C ATOM 1239 C GLY A 79 18.304 -10.732 3.180 1.00 0.00 C ATOM 1240 O GLY A 79 19.424 -11.151 2.893 1.00 0.00 O ATOM 0 H GLY A 79 15.346 -10.317 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.736 -10.591 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.242 -9.222 2.098 1.00 0.00 H new ATOM 1244 N GLY A 80 17.873 -10.620 4.433 1.00 0.00 N ATOM 1245 CA GLY A 80 18.724 -10.996 5.547 1.00 0.00 C ATOM 1246 C GLY A 80 18.314 -12.315 6.170 1.00 0.00 C ATOM 1247 O GLY A 80 17.614 -13.113 5.546 1.00 0.00 O ATOM 0 H GLY A 80 16.950 -10.276 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.756 -11.065 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.691 -10.214 6.305 1.00 0.00 H new ATOM 1251 N ASP A 81 18.752 -12.547 7.403 1.00 0.00 N ATOM 1252 CA ASP A 81 18.426 -13.779 8.111 1.00 0.00 C ATOM 1253 C ASP A 81 16.915 -13.972 8.200 1.00 0.00 C ATOM 1254 O ASP A 81 16.224 -13.224 8.891 1.00 0.00 O ATOM 1255 CB ASP A 81 19.034 -13.762 9.514 1.00 0.00 C ATOM 1256 CG ASP A 81 19.060 -15.138 10.151 1.00 0.00 C ATOM 1257 OD1 ASP A 81 17.976 -15.734 10.322 1.00 0.00 O ATOM 1258 OD2 ASP A 81 20.165 -15.619 10.477 1.00 0.00 O ATOM 0 H ASP A 81 19.334 -11.898 7.933 1.00 0.00 H new ATOM 0 HA ASP A 81 18.848 -14.613 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 81 20.050 -13.370 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 81 18.462 -13.083 10.146 1.00 0.00 H new ATOM 1263 N SER A 82 16.410 -14.979 7.495 1.00 0.00 N ATOM 1264 CA SER A 82 14.981 -15.268 7.490 1.00 0.00 C ATOM 1265 C SER A 82 14.621 -16.251 8.599 1.00 0.00 C ATOM 1266 O SER A 82 15.416 -17.122 8.953 1.00 0.00 O ATOM 1267 CB SER A 82 14.558 -15.835 6.133 1.00 0.00 C ATOM 1268 OG SER A 82 13.199 -15.540 5.859 1.00 0.00 O ATOM 0 H SER A 82 16.969 -15.609 6.920 1.00 0.00 H new ATOM 0 HA SER A 82 14.447 -14.335 7.668 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.189 -15.418 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.708 -16.915 6.123 1.00 0.00 H new ATOM 0 HG SER A 82 12.953 -15.911 4.986 1.00 0.00 H new ATOM 1274 N MET A 83 13.418 -16.105 9.144 1.00 0.00 N ATOM 1275 CA MET A 83 12.952 -16.981 10.212 1.00 0.00 C ATOM 1276 C MET A 83 11.705 -17.748 9.782 1.00 0.00 C ATOM 1277 O MET A 83 10.758 -17.164 9.257 1.00 0.00 O ATOM 1278 CB MET A 83 12.654 -16.169 11.474 1.00 0.00 C ATOM 1279 CG MET A 83 11.847 -14.908 11.209 1.00 0.00 C ATOM 1280 SD MET A 83 10.628 -14.581 12.496 1.00 0.00 S ATOM 1281 CE MET A 83 9.266 -13.948 11.519 1.00 0.00 C ATOM 0 H MET A 83 12.748 -15.388 8.864 1.00 0.00 H new ATOM 0 HA MET A 83 13.743 -17.699 10.429 1.00 0.00 H new ATOM 0 HB2 MET A 83 12.110 -16.797 12.180 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.595 -15.895 11.950 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.524 -14.058 11.131 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.340 -15.001 10.249 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.432 -13.699 12.175 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.586 -13.054 10.985 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.950 -14.705 10.802 1.00 0.00 H new ATOM 1291 N GLN A 84 11.714 -19.058 10.008 1.00 0.00 N ATOM 1292 CA GLN A 84 10.583 -19.903 9.642 1.00 0.00 C ATOM 1293 C GLN A 84 10.675 -21.262 10.329 1.00 0.00 C ATOM 1294 O GLN A 84 11.750 -21.681 10.755 1.00 0.00 O ATOM 1295 CB GLN A 84 10.528 -20.088 8.125 1.00 0.00 C ATOM 1296 CG GLN A 84 9.320 -19.432 7.476 1.00 0.00 C ATOM 1297 CD GLN A 84 9.701 -18.511 6.333 1.00 0.00 C ATOM 1298 OE1 GLN A 84 10.434 -18.901 5.424 1.00 0.00 O ATOM 1299 NE2 GLN A 84 9.202 -17.281 6.373 1.00 0.00 N ATOM 0 H GLN A 84 12.491 -19.557 10.442 1.00 0.00 H new ATOM 0 HA GLN A 84 9.670 -19.409 9.974 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.436 -19.676 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.518 -21.154 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.646 -20.205 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.772 -18.864 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.598 -17.000 7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.422 -16.617 5.631 1.00 0.00 H new ATOM 1308 N ALA A 85 9.539 -21.944 10.434 1.00 0.00 N ATOM 1309 CA ALA A 85 9.492 -23.256 11.067 1.00 0.00 C ATOM 1310 C ALA A 85 10.067 -24.330 10.150 1.00 0.00 C ATOM 1311 O ALA A 85 9.331 -25.146 9.596 1.00 0.00 O ATOM 1312 CB ALA A 85 8.062 -23.602 11.457 1.00 0.00 C ATOM 0 H ALA A 85 8.639 -21.610 10.089 1.00 0.00 H new ATOM 0 HA ALA A 85 10.105 -23.220 11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.041 -24.584 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.685 -22.856 12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.435 -23.614 10.566 1.00 0.00 H new ATOM 1318 N VAL A 86 11.387 -24.323 9.994 1.00 0.00 N ATOM 1319 CA VAL A 86 12.061 -25.297 9.143 1.00 0.00 C ATOM 1320 C VAL A 86 13.183 -26.001 9.898 1.00 0.00 C ATOM 1321 O VAL A 86 13.941 -25.370 10.634 1.00 0.00 O ATOM 1322 CB VAL A 86 12.643 -24.633 7.882 1.00 0.00 C ATOM 1323 CG1 VAL A 86 13.660 -23.566 8.260 1.00 0.00 C ATOM 1324 CG2 VAL A 86 13.269 -25.678 6.971 1.00 0.00 C ATOM 0 H VAL A 86 12.011 -23.654 10.445 1.00 0.00 H new ATOM 0 HA VAL A 86 11.311 -26.030 8.845 1.00 0.00 H new ATOM 0 HB VAL A 86 11.830 -24.150 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.060 -23.108 7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.177 -22.803 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.472 -24.022 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.675 -25.191 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.070 -26.191 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.510 -26.401 6.672 1.00 0.00 H new ATOM 1334 N SER A 87 13.284 -27.313 9.709 1.00 0.00 N ATOM 1335 CA SER A 87 14.312 -28.105 10.374 1.00 0.00 C ATOM 1336 C SER A 87 15.509 -28.324 9.453 1.00 0.00 C ATOM 1337 O SER A 87 15.531 -29.265 8.660 1.00 0.00 O ATOM 1338 CB SER A 87 13.740 -29.453 10.816 1.00 0.00 C ATOM 1339 OG SER A 87 14.363 -29.905 12.006 1.00 0.00 O ATOM 0 H SER A 87 12.666 -27.850 9.101 1.00 0.00 H new ATOM 0 HA SER A 87 14.648 -27.555 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.666 -29.361 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.882 -30.189 10.025 1.00 0.00 H new ATOM 0 HG SER A 87 13.979 -30.767 12.269 1.00 0.00 H new ATOM 1345 N ALA A 88 16.502 -27.449 9.567 1.00 0.00 N ATOM 1346 CA ALA A 88 17.704 -27.547 8.747 1.00 0.00 C ATOM 1347 C ALA A 88 18.616 -28.665 9.242 1.00 0.00 C ATOM 1348 O ALA A 88 18.560 -29.078 10.400 1.00 0.00 O ATOM 1349 CB ALA A 88 18.448 -26.220 8.740 1.00 0.00 C ATOM 0 H ALA A 88 16.499 -26.664 10.219 1.00 0.00 H new ATOM 0 HA ALA A 88 17.400 -27.786 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 88 19.343 -26.308 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 88 17.802 -25.443 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 88 18.733 -25.957 9.759 1.00 0.00 H new ATOM 1355 N PRO A 89 19.476 -29.168 8.344 1.00 0.00 N ATOM 1356 CA PRO A 89 20.417 -30.245 8.667 1.00 0.00 C ATOM 1357 C PRO A 89 21.520 -29.787 9.614 1.00 0.00 C ATOM 1358 O PRO A 89 21.479 -28.673 10.136 1.00 0.00 O ATOM 1359 CB PRO A 89 21.004 -30.624 7.305 1.00 0.00 C ATOM 1360 CG PRO A 89 20.859 -29.395 6.476 1.00 0.00 C ATOM 1361 CD PRO A 89 19.598 -28.724 6.945 1.00 0.00 C ATOM 0 HA PRO A 89 19.928 -31.073 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 89 22.049 -30.921 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 89 20.469 -31.465 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 89 21.720 -28.738 6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 89 20.797 -29.644 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.669 -27.639 6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.736 -29.027 6.350 1.00 0.00 H new ATOM 1369 N GLU A 90 22.506 -30.652 9.831 1.00 0.00 N ATOM 1370 CA GLU A 90 23.620 -30.334 10.716 1.00 0.00 C ATOM 1371 C GLU A 90 24.775 -31.310 10.509 1.00 0.00 C ATOM 1372 O GLU A 90 25.714 -31.027 9.766 1.00 0.00 O ATOM 1373 CB GLU A 90 23.166 -30.367 12.177 1.00 0.00 C ATOM 1374 CG GLU A 90 23.276 -29.025 12.879 1.00 0.00 C ATOM 1375 CD GLU A 90 22.913 -29.104 14.349 1.00 0.00 C ATOM 1376 OE1 GLU A 90 22.550 -30.205 14.813 1.00 0.00 O ATOM 1377 OE2 GLU A 90 22.993 -28.064 15.036 1.00 0.00 O ATOM 0 H GLU A 90 22.556 -31.578 9.406 1.00 0.00 H new ATOM 0 HA GLU A 90 23.967 -29.330 10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 90 22.131 -30.706 12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 90 23.764 -31.101 12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 90 24.295 -28.650 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 90 22.622 -28.306 12.385 1.00 0.00 H new TER 1384 GLU A 90