USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 788 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 98 HIS : no HD1:sc= -0.0485 X(o=-0.094,f=0) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.0457 K(o=-0.094,f=-2.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.108 (180deg=-0.414) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -134:sc= 0.563 (180deg=-1.21) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 139:sc= 0.549 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -83:sc= -2.1 USER MOD Single : A 41 SER OG : rot -110:sc= -0.364 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.421 F(o=-1.5,f=-0.42) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 49 HIS : no HD1:sc= -0.928 K(o=-0.93,f=-2.4!) USER MOD Single : A 50 SER OG : rot -83:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -3.66! (180deg=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= -0.0278 (180deg=-0.526) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.149 (180deg=-0.898) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= -0.789 (180deg=-0.971) USER MOD Single : A 61 TYR OH : rot 120:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -1.48 (180deg=-1.93!) USER MOD Single : A 63 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.85) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 0.784 (180deg=0.00602) USER MOD Single : A 67 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.7) USER MOD Single : A 71 SER OG : rot 20:sc= 0.408 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -14:sc= 0.216 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0824 (180deg=-0.729) USER MOD Single : A 80 LYS NZ :NH3+ -125:sc= -0.442 (180deg=-1.25) USER MOD Single : A 82 THR OG1 : rot -152:sc= -0.214 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.235 F(o=-0.87,f=-0.24) USER MOD Single : A 96 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.7!) USER MOD Single : A 97 HIS : no HD1:sc= -0.859 X(o=-0.86,f=-0.65) USER MOD Single : A 100 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.367 1.746 27.010 1.00 1.00 N ATOM 2 CA MET A 1 -5.756 2.019 26.538 1.00 1.00 C ATOM 3 C MET A 1 -6.328 0.743 25.908 1.00 1.00 C ATOM 4 O MET A 1 -6.274 0.552 24.694 1.00 1.00 O ATOM 5 CB MET A 1 -5.743 3.197 25.521 1.00 1.00 C ATOM 6 CG MET A 1 -4.535 3.089 24.573 1.00 1.00 C ATOM 7 SD MET A 1 -4.660 4.375 23.304 1.00 1.00 S ATOM 8 CE MET A 1 -3.238 3.857 22.311 1.00 1.00 C ATOM 0 H1 MET A 1 -3.877 2.646 27.186 1.00 1.00 H new ATOM 0 H2 MET A 1 -4.402 1.193 27.890 1.00 1.00 H new ATOM 0 H3 MET A 1 -3.853 1.208 26.283 1.00 1.00 H new ATOM 0 HA MET A 1 -6.390 2.308 27.376 1.00 1.00 H new ATOM 0 HB2 MET A 1 -6.667 3.193 24.942 1.00 1.00 H new ATOM 0 HB3 MET A 1 -5.706 4.145 26.057 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.607 3.202 25.133 1.00 1.00 H new ATOM 0 HG3 MET A 1 -4.509 2.103 24.108 1.00 1.00 H new ATOM 0 HE1 MET A 1 -3.127 4.526 21.458 1.00 1.00 H new ATOM 0 HE2 MET A 1 -2.335 3.894 22.921 1.00 1.00 H new ATOM 0 HE3 MET A 1 -3.394 2.838 21.955 1.00 1.00 H new ATOM 20 N VAL A 2 -6.884 -0.123 26.750 1.00 1.00 N ATOM 21 CA VAL A 2 -7.471 -1.378 26.280 1.00 1.00 C ATOM 22 C VAL A 2 -8.637 -1.098 25.329 1.00 1.00 C ATOM 23 O VAL A 2 -8.922 -1.889 24.431 1.00 1.00 O ATOM 24 CB VAL A 2 -7.933 -2.221 27.490 1.00 1.00 C ATOM 25 CG1 VAL A 2 -9.021 -1.476 28.289 1.00 1.00 C ATOM 26 CG2 VAL A 2 -8.478 -3.586 27.021 1.00 1.00 C ATOM 0 H VAL A 2 -6.941 0.019 27.758 1.00 1.00 H new ATOM 0 HA VAL A 2 -6.719 -1.943 25.729 1.00 1.00 H new ATOM 0 HB VAL A 2 -7.070 -2.384 28.136 1.00 1.00 H new ATOM 0 HG11 VAL A 2 -9.332 -2.087 29.136 1.00 1.00 H new ATOM 0 HG12 VAL A 2 -8.622 -0.529 28.652 1.00 1.00 H new ATOM 0 HG13 VAL A 2 -9.879 -1.285 27.645 1.00 1.00 H new ATOM 0 HG21 VAL A 2 -8.799 -4.166 27.886 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -9.326 -3.430 26.354 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -7.695 -4.128 26.491 1.00 1.00 H new ATOM 36 N LYS A 3 -9.309 0.035 25.537 1.00 1.00 N ATOM 37 CA LYS A 3 -10.448 0.409 24.696 1.00 1.00 C ATOM 38 C LYS A 3 -10.007 0.570 23.237 1.00 1.00 C ATOM 39 O LYS A 3 -9.295 1.516 22.896 1.00 1.00 O ATOM 40 CB LYS A 3 -11.056 1.731 25.198 1.00 1.00 C ATOM 41 CG LYS A 3 -11.522 1.577 26.661 1.00 1.00 C ATOM 42 CD LYS A 3 -12.289 2.838 27.131 1.00 1.00 C ATOM 43 CE LYS A 3 -11.369 4.080 27.175 1.00 1.00 C ATOM 44 NZ LYS A 3 -12.034 5.145 27.978 1.00 1.00 N ATOM 0 H LYS A 3 -9.087 0.705 26.274 1.00 1.00 H new ATOM 0 HA LYS A 3 -11.196 -0.382 24.753 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -10.319 2.531 25.125 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -11.898 2.016 24.568 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -12.164 0.701 26.752 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.660 1.409 27.306 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -13.125 3.028 26.458 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -12.710 2.661 28.121 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.407 3.821 27.616 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -11.170 4.438 26.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.423 5.986 28.014 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -12.942 5.396 27.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -12.202 4.798 28.944 1.00 1.00 H new ATOM 58 N VAL A 4 -10.437 -0.357 22.381 1.00 1.00 N ATOM 59 CA VAL A 4 -10.087 -0.312 20.963 1.00 1.00 C ATOM 60 C VAL A 4 -10.689 0.932 20.309 1.00 1.00 C ATOM 61 O VAL A 4 -11.768 1.386 20.693 1.00 1.00 O ATOM 62 CB VAL A 4 -10.588 -1.600 20.271 1.00 1.00 C ATOM 63 CG1 VAL A 4 -12.121 -1.716 20.384 1.00 1.00 C ATOM 64 CG2 VAL A 4 -10.172 -1.614 18.785 1.00 1.00 C ATOM 0 H VAL A 4 -11.027 -1.146 22.645 1.00 1.00 H new ATOM 0 HA VAL A 4 -9.004 -0.255 20.856 1.00 1.00 H new ATOM 0 HB VAL A 4 -10.132 -2.453 20.774 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -12.454 -2.629 19.891 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -12.407 -1.746 21.435 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -12.587 -0.855 19.906 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -10.534 -2.528 18.315 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -10.603 -0.750 18.278 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -9.085 -1.573 18.711 1.00 1.00 H new ATOM 74 N THR A 5 -9.982 1.479 19.316 1.00 1.00 N ATOM 75 CA THR A 5 -10.443 2.677 18.597 1.00 1.00 C ATOM 76 C THR A 5 -9.883 2.680 17.176 1.00 1.00 C ATOM 77 O THR A 5 -10.626 2.848 16.209 1.00 1.00 O ATOM 78 CB THR A 5 -9.986 3.939 19.355 1.00 1.00 C ATOM 79 OG1 THR A 5 -10.416 3.848 20.705 1.00 1.00 O ATOM 80 CG2 THR A 5 -10.583 5.203 18.716 1.00 1.00 C ATOM 0 H THR A 5 -9.088 1.113 18.989 1.00 1.00 H new ATOM 0 HA THR A 5 -11.532 2.670 18.541 1.00 1.00 H new ATOM 0 HB THR A 5 -8.899 4.006 19.307 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.128 4.647 21.195 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.248 6.082 19.266 1.00 1.00 H new ATOM 0 HG22 THR A 5 -10.254 5.277 17.679 1.00 1.00 H new ATOM 0 HG23 THR A 5 -11.671 5.148 18.748 1.00 1.00 H new ATOM 88 N TYR A 6 -8.569 2.486 17.055 1.00 1.00 N ATOM 89 CA TYR A 6 -7.927 2.460 15.741 1.00 1.00 C ATOM 90 C TYR A 6 -8.399 1.241 14.955 1.00 1.00 C ATOM 91 O TYR A 6 -8.645 0.181 15.530 1.00 1.00 O ATOM 92 CB TYR A 6 -6.397 2.436 15.895 1.00 1.00 C ATOM 93 CG TYR A 6 -5.961 1.208 16.698 1.00 1.00 C ATOM 94 CD1 TYR A 6 -5.666 0.008 16.040 1.00 1.00 C ATOM 95 CD2 TYR A 6 -5.845 1.283 18.090 1.00 1.00 C ATOM 96 CE1 TYR A 6 -5.254 -1.113 16.771 1.00 1.00 C ATOM 97 CE2 TYR A 6 -5.432 0.164 18.825 1.00 1.00 C ATOM 98 CZ TYR A 6 -5.137 -1.034 18.163 1.00 1.00 C ATOM 99 OH TYR A 6 -4.733 -2.139 18.884 1.00 1.00 O ATOM 0 H TYR A 6 -7.935 2.346 17.842 1.00 1.00 H new ATOM 0 HA TYR A 6 -8.206 3.361 15.195 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -5.926 2.422 14.912 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -6.061 3.344 16.396 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -5.756 -0.053 14.966 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -6.075 2.207 18.600 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -5.027 -2.037 16.261 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -5.341 0.225 19.899 1.00 1.00 H new ATOM 0 HH TYR A 6 -4.703 -1.914 19.837 1.00 1.00 H new ATOM 109 N ASP A 7 -8.528 1.403 13.632 1.00 1.00 N ATOM 110 CA ASP A 7 -8.978 0.320 12.740 1.00 1.00 C ATOM 111 C ASP A 7 -8.103 0.272 11.494 1.00 1.00 C ATOM 112 O ASP A 7 -7.863 -0.804 10.948 1.00 1.00 O ATOM 113 CB ASP A 7 -10.440 0.564 12.334 1.00 1.00 C ATOM 114 CG ASP A 7 -11.339 0.548 13.570 1.00 1.00 C ATOM 115 OD1 ASP A 7 -11.018 -0.170 14.503 1.00 1.00 O ATOM 116 OD2 ASP A 7 -12.338 1.249 13.563 1.00 1.00 O ATOM 0 H ASP A 7 -8.326 2.279 13.150 1.00 1.00 H new ATOM 0 HA ASP A 7 -8.899 -0.631 13.266 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -10.528 1.523 11.823 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -10.763 -0.203 11.630 1.00 1.00 H new ATOM 121 N GLY A 8 -7.632 1.447 11.046 1.00 1.00 N ATOM 122 CA GLY A 8 -6.775 1.545 9.852 1.00 1.00 C ATOM 123 C GLY A 8 -7.287 0.647 8.726 1.00 1.00 C ATOM 124 O GLY A 8 -8.493 0.434 8.599 1.00 1.00 O ATOM 0 H GLY A 8 -7.830 2.343 11.492 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -6.742 2.579 9.509 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -5.754 1.262 10.110 1.00 1.00 H new ATOM 128 N VAL A 9 -6.360 0.099 7.934 1.00 1.00 N ATOM 129 CA VAL A 9 -6.707 -0.818 6.833 1.00 1.00 C ATOM 130 C VAL A 9 -5.748 -2.012 6.870 1.00 1.00 C ATOM 131 O VAL A 9 -4.531 -1.827 6.888 1.00 1.00 O ATOM 132 CB VAL A 9 -6.594 -0.080 5.479 1.00 1.00 C ATOM 133 CG1 VAL A 9 -7.137 -0.967 4.344 1.00 1.00 C ATOM 134 CG2 VAL A 9 -7.401 1.231 5.537 1.00 1.00 C ATOM 0 H VAL A 9 -5.360 0.273 8.032 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.733 -1.169 6.948 1.00 1.00 H new ATOM 0 HB VAL A 9 -5.545 0.144 5.285 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.052 -0.437 3.395 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -6.560 -1.891 4.296 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -8.184 -1.203 4.536 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.321 1.750 4.582 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -8.448 1.005 5.740 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.006 1.866 6.330 1.00 1.00 H new ATOM 144 N TYR A 10 -6.300 -3.237 6.878 1.00 1.00 N ATOM 145 CA TYR A 10 -5.483 -4.466 6.912 1.00 1.00 C ATOM 146 C TYR A 10 -5.413 -5.097 5.513 1.00 1.00 C ATOM 147 O TYR A 10 -6.425 -5.262 4.837 1.00 1.00 O ATOM 148 CB TYR A 10 -6.095 -5.492 7.890 1.00 1.00 C ATOM 149 CG TYR A 10 -6.066 -4.973 9.331 1.00 1.00 C ATOM 150 CD1 TYR A 10 -4.963 -5.236 10.151 1.00 1.00 C ATOM 151 CD2 TYR A 10 -7.160 -4.261 9.841 1.00 1.00 C ATOM 152 CE1 TYR A 10 -4.952 -4.790 11.478 1.00 1.00 C ATOM 153 CE2 TYR A 10 -7.149 -3.815 11.168 1.00 1.00 C ATOM 154 CZ TYR A 10 -6.046 -4.079 11.988 1.00 1.00 C ATOM 155 OH TYR A 10 -6.036 -3.640 13.296 1.00 1.00 O ATOM 0 H TYR A 10 -7.306 -3.404 6.861 1.00 1.00 H new ATOM 0 HA TYR A 10 -4.481 -4.197 7.245 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.123 -5.706 7.599 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -5.544 -6.430 7.828 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -4.119 -5.784 9.759 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -8.012 -4.056 9.210 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -4.100 -4.994 12.109 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -7.993 -3.266 11.559 1.00 1.00 H new ATOM 0 HH TYR A 10 -6.871 -3.163 13.487 1.00 1.00 H new ATOM 165 N VAL A 11 -4.203 -5.458 5.101 1.00 1.00 N ATOM 166 CA VAL A 11 -3.995 -6.089 3.794 1.00 1.00 C ATOM 167 C VAL A 11 -4.433 -7.554 3.896 1.00 1.00 C ATOM 168 O VAL A 11 -4.074 -8.246 4.848 1.00 1.00 O ATOM 169 CB VAL A 11 -2.515 -5.971 3.394 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.287 -6.595 2.004 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.116 -4.477 3.367 1.00 1.00 C ATOM 0 H VAL A 11 -3.352 -5.327 5.647 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.586 -5.593 3.023 1.00 1.00 H new ATOM 0 HB VAL A 11 -1.902 -6.504 4.121 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.235 -6.505 1.733 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.567 -7.648 2.028 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -2.898 -6.074 1.267 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.067 -4.386 3.084 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -2.735 -3.948 2.642 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.264 -4.043 4.356 1.00 1.00 H new ATOM 181 N LEU A 12 -5.236 -8.022 2.925 1.00 1.00 N ATOM 182 CA LEU A 12 -5.740 -9.409 2.938 1.00 1.00 C ATOM 183 C LEU A 12 -4.640 -10.390 2.512 1.00 1.00 C ATOM 184 O LEU A 12 -4.360 -11.377 3.190 1.00 1.00 O ATOM 185 CB LEU A 12 -6.958 -9.513 1.970 1.00 1.00 C ATOM 186 CG LEU A 12 -7.939 -10.647 2.380 1.00 1.00 C ATOM 187 CD1 LEU A 12 -9.090 -10.717 1.361 1.00 1.00 C ATOM 188 CD2 LEU A 12 -7.211 -12.014 2.452 1.00 1.00 C ATOM 0 H LEU A 12 -5.548 -7.468 2.128 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.049 -9.670 3.950 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.490 -8.562 1.955 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.600 -9.693 0.956 1.00 1.00 H new ATOM 0 HG LEU A 12 -8.336 -10.424 3.370 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.780 -11.511 1.645 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.620 -9.765 1.345 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.686 -10.925 0.370 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -7.921 -12.789 2.741 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -6.789 -12.254 1.476 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.411 -11.962 3.190 1.00 1.00 H new ATOM 200 N SER A 13 -4.019 -10.100 1.364 1.00 1.00 N ATOM 201 CA SER A 13 -2.959 -10.959 0.822 1.00 1.00 C ATOM 202 C SER A 13 -2.034 -10.179 -0.097 1.00 1.00 C ATOM 203 O SER A 13 -2.439 -9.198 -0.722 1.00 1.00 O ATOM 204 CB SER A 13 -3.595 -12.102 0.023 1.00 1.00 C ATOM 205 OG SER A 13 -4.247 -11.563 -1.121 1.00 1.00 O ATOM 0 H SER A 13 -4.230 -9.281 0.794 1.00 1.00 H new ATOM 0 HA SER A 13 -2.376 -11.348 1.657 1.00 1.00 H new ATOM 0 HB2 SER A 13 -2.832 -12.818 -0.282 1.00 1.00 H new ATOM 0 HB3 SER A 13 -4.310 -12.642 0.644 1.00 1.00 H new ATOM 0 HG SER A 13 -4.655 -12.289 -1.638 1.00 1.00 H new ATOM 211 N VAL A 14 -0.785 -10.648 -0.193 1.00 1.00 N ATOM 212 CA VAL A 14 0.235 -10.038 -1.058 1.00 1.00 C ATOM 213 C VAL A 14 0.991 -11.143 -1.773 1.00 1.00 C ATOM 214 O VAL A 14 1.710 -11.907 -1.128 1.00 1.00 O ATOM 215 CB VAL A 14 1.228 -9.209 -0.208 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.274 -8.514 -1.113 1.00 1.00 C ATOM 217 CG2 VAL A 14 0.457 -8.152 0.588 1.00 1.00 C ATOM 0 H VAL A 14 -0.451 -11.460 0.326 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.248 -9.380 -1.780 1.00 1.00 H new ATOM 0 HB VAL A 14 1.750 -9.880 0.475 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.962 -7.936 -0.496 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.831 -9.267 -1.670 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.766 -7.848 -1.811 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.155 -7.567 1.187 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.072 -7.492 -0.100 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.262 -8.643 1.244 1.00 1.00 H new ATOM 227 N LYS A 15 0.862 -11.237 -3.097 1.00 1.00 N ATOM 228 CA LYS A 15 1.585 -12.273 -3.846 1.00 1.00 C ATOM 229 C LYS A 15 3.077 -11.944 -3.869 1.00 1.00 C ATOM 230 O LYS A 15 3.473 -10.817 -3.572 1.00 1.00 O ATOM 231 CB LYS A 15 1.034 -12.338 -5.278 1.00 1.00 C ATOM 232 CG LYS A 15 -0.455 -12.759 -5.242 1.00 1.00 C ATOM 233 CD LYS A 15 -1.054 -12.875 -6.676 1.00 1.00 C ATOM 234 CE LYS A 15 -1.374 -11.487 -7.279 1.00 1.00 C ATOM 235 NZ LYS A 15 -2.268 -10.726 -6.358 1.00 1.00 N ATOM 0 H LYS A 15 0.278 -10.624 -3.666 1.00 1.00 H new ATOM 0 HA LYS A 15 1.447 -13.241 -3.364 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.136 -11.367 -5.762 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.610 -13.051 -5.868 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.551 -13.716 -4.729 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.026 -12.030 -4.667 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.350 -13.399 -7.323 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.963 -13.475 -6.643 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -0.451 -10.932 -7.445 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -1.854 -11.605 -8.250 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -3.043 -10.296 -6.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -2.663 -11.372 -5.645 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -1.722 -9.979 -5.883 1.00 1.00 H new ATOM 249 N GLU A 16 3.903 -12.944 -4.210 1.00 1.00 N ATOM 250 CA GLU A 16 5.371 -12.772 -4.256 1.00 1.00 C ATOM 251 C GLU A 16 5.857 -12.527 -5.693 1.00 1.00 C ATOM 252 O GLU A 16 6.840 -13.125 -6.132 1.00 1.00 O ATOM 253 CB GLU A 16 6.064 -14.025 -3.674 1.00 1.00 C ATOM 254 CG GLU A 16 5.665 -14.227 -2.187 1.00 1.00 C ATOM 255 CD GLU A 16 4.209 -14.681 -2.071 1.00 1.00 C ATOM 256 OE1 GLU A 16 3.749 -15.374 -2.963 1.00 1.00 O ATOM 257 OE2 GLU A 16 3.566 -14.332 -1.094 1.00 1.00 O ATOM 0 H GLU A 16 3.585 -13.881 -4.458 1.00 1.00 H new ATOM 0 HA GLU A 16 5.630 -11.899 -3.656 1.00 1.00 H new ATOM 0 HB2 GLU A 16 5.785 -14.905 -4.254 1.00 1.00 H new ATOM 0 HB3 GLU A 16 7.146 -13.920 -3.755 1.00 1.00 H new ATOM 0 HG2 GLU A 16 6.319 -14.968 -1.728 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.805 -13.295 -1.639 1.00 1.00 H new ATOM 264 N ASP A 17 5.170 -11.627 -6.416 1.00 1.00 N ATOM 265 CA ASP A 17 5.537 -11.289 -7.805 1.00 1.00 C ATOM 266 C ASP A 17 4.966 -9.914 -8.178 1.00 1.00 C ATOM 267 O ASP A 17 4.553 -9.692 -9.317 1.00 1.00 O ATOM 268 CB ASP A 17 4.981 -12.350 -8.773 1.00 1.00 C ATOM 269 CG ASP A 17 5.601 -13.716 -8.486 1.00 1.00 C ATOM 270 OD1 ASP A 17 6.818 -13.810 -8.518 1.00 1.00 O ATOM 271 OD2 ASP A 17 4.850 -14.648 -8.247 1.00 1.00 O ATOM 0 H ASP A 17 4.358 -11.120 -6.064 1.00 1.00 H new ATOM 0 HA ASP A 17 6.624 -11.265 -7.882 1.00 1.00 H new ATOM 0 HB2 ASP A 17 3.897 -12.408 -8.674 1.00 1.00 H new ATOM 0 HB3 ASP A 17 5.192 -12.058 -9.802 1.00 1.00 H new ATOM 276 N VAL A 18 4.931 -8.999 -7.201 1.00 1.00 N ATOM 277 CA VAL A 18 4.390 -7.635 -7.400 1.00 1.00 C ATOM 278 C VAL A 18 5.252 -6.635 -6.600 1.00 1.00 C ATOM 279 O VAL A 18 5.899 -7.048 -5.647 1.00 1.00 O ATOM 280 CB VAL A 18 2.920 -7.607 -6.895 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.018 -8.428 -7.835 1.00 1.00 C ATOM 282 CG2 VAL A 18 2.839 -8.199 -5.474 1.00 1.00 C ATOM 0 H VAL A 18 5.272 -9.174 -6.256 1.00 1.00 H new ATOM 0 HA VAL A 18 4.414 -7.360 -8.454 1.00 1.00 H new ATOM 0 HB VAL A 18 2.580 -6.572 -6.880 1.00 1.00 H new ATOM 0 HG11 VAL A 18 0.991 -8.400 -7.470 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.058 -8.005 -8.839 1.00 1.00 H new ATOM 0 HG13 VAL A 18 2.365 -9.461 -7.862 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.806 -8.175 -5.128 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.193 -9.230 -5.489 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.461 -7.611 -4.799 1.00 1.00 H new ATOM 292 N PRO A 19 5.289 -5.342 -6.928 1.00 1.00 N ATOM 293 CA PRO A 19 6.115 -4.357 -6.141 1.00 1.00 C ATOM 294 C PRO A 19 5.946 -4.518 -4.619 1.00 1.00 C ATOM 295 O PRO A 19 6.902 -4.371 -3.862 1.00 1.00 O ATOM 296 CB PRO A 19 5.585 -2.980 -6.613 1.00 1.00 C ATOM 297 CG PRO A 19 5.117 -3.214 -8.023 1.00 1.00 C ATOM 298 CD PRO A 19 4.596 -4.674 -8.067 1.00 1.00 C ATOM 0 HA PRO A 19 7.182 -4.497 -6.313 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.771 -2.630 -5.978 1.00 1.00 H new ATOM 0 HB3 PRO A 19 6.366 -2.221 -6.576 1.00 1.00 H new ATOM 0 HG2 PRO A 19 4.329 -2.511 -8.294 1.00 1.00 H new ATOM 0 HG3 PRO A 19 5.931 -3.069 -8.733 1.00 1.00 H new ATOM 0 HD2 PRO A 19 3.513 -4.714 -7.953 1.00 1.00 H new ATOM 0 HD3 PRO A 19 4.835 -5.154 -9.016 1.00 1.00 H new ATOM 306 N ALA A 20 4.724 -4.810 -4.194 1.00 1.00 N ATOM 307 CA ALA A 20 4.421 -4.974 -2.772 1.00 1.00 C ATOM 308 C ALA A 20 5.164 -6.171 -2.172 1.00 1.00 C ATOM 309 O ALA A 20 5.257 -6.296 -0.951 1.00 1.00 O ATOM 310 CB ALA A 20 2.906 -5.169 -2.598 1.00 1.00 C ATOM 0 H ALA A 20 3.923 -4.939 -4.812 1.00 1.00 H new ATOM 0 HA ALA A 20 4.751 -4.078 -2.247 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.674 -5.292 -1.540 1.00 1.00 H new ATOM 0 HB2 ALA A 20 2.380 -4.297 -2.986 1.00 1.00 H new ATOM 0 HB3 ALA A 20 2.588 -6.057 -3.145 1.00 1.00 H new ATOM 316 N ALA A 21 5.688 -7.054 -3.025 1.00 1.00 N ATOM 317 CA ALA A 21 6.411 -8.237 -2.562 1.00 1.00 C ATOM 318 C ALA A 21 7.784 -7.871 -2.005 1.00 1.00 C ATOM 319 O ALA A 21 8.513 -7.065 -2.584 1.00 1.00 O ATOM 320 CB ALA A 21 6.606 -9.215 -3.728 1.00 1.00 C ATOM 0 H ALA A 21 5.624 -6.971 -4.040 1.00 1.00 H new ATOM 0 HA ALA A 21 5.819 -8.695 -1.770 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.145 -10.095 -3.378 1.00 1.00 H new ATOM 0 HB2 ALA A 21 5.633 -9.516 -4.117 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.178 -8.729 -4.518 1.00 1.00 H new ATOM 326 N GLY A 22 8.145 -8.525 -0.909 1.00 1.00 N ATOM 327 CA GLY A 22 9.457 -8.342 -0.288 1.00 1.00 C ATOM 328 C GLY A 22 9.515 -7.080 0.554 1.00 1.00 C ATOM 329 O GLY A 22 10.477 -6.871 1.292 1.00 1.00 O ATOM 0 H GLY A 22 7.544 -9.193 -0.426 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.687 -9.206 0.336 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.222 -8.297 -1.063 1.00 1.00 H new ATOM 333 N ILE A 23 8.489 -6.226 0.426 1.00 1.00 N ATOM 334 CA ILE A 23 8.422 -4.951 1.164 1.00 1.00 C ATOM 335 C ILE A 23 7.241 -4.974 2.136 1.00 1.00 C ATOM 336 O ILE A 23 7.391 -4.665 3.317 1.00 1.00 O ATOM 337 CB ILE A 23 8.243 -3.800 0.141 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.397 -3.845 -0.898 1.00 1.00 C ATOM 339 CG2 ILE A 23 8.259 -2.440 0.864 1.00 1.00 C ATOM 340 CD1 ILE A 23 9.176 -2.803 -2.009 1.00 1.00 C ATOM 0 H ILE A 23 7.689 -6.394 -0.184 1.00 1.00 H new ATOM 0 HA ILE A 23 9.338 -4.802 1.735 1.00 1.00 H new ATOM 0 HB ILE A 23 7.286 -3.923 -0.366 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.348 -3.655 -0.400 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.459 -4.841 -1.335 1.00 1.00 H new ATOM 0 HG21 ILE A 23 8.133 -1.639 0.135 1.00 1.00 H new ATOM 0 HG22 ILE A 23 7.445 -2.403 1.588 1.00 1.00 H new ATOM 0 HG23 ILE A 23 9.211 -2.314 1.380 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.997 -2.854 -2.724 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.236 -3.010 -2.520 1.00 1.00 H new ATOM 0 HD13 ILE A 23 9.138 -1.806 -1.570 1.00 1.00 H new ATOM 352 N LEU A 24 6.060 -5.332 1.610 1.00 1.00 N ATOM 353 CA LEU A 24 4.812 -5.391 2.396 1.00 1.00 C ATOM 354 C LEU A 24 4.412 -6.852 2.638 1.00 1.00 C ATOM 355 O LEU A 24 4.431 -7.672 1.718 1.00 1.00 O ATOM 356 CB LEU A 24 3.691 -4.646 1.610 1.00 1.00 C ATOM 357 CG LEU A 24 3.815 -3.085 1.758 1.00 1.00 C ATOM 358 CD1 LEU A 24 3.148 -2.371 0.560 1.00 1.00 C ATOM 359 CD2 LEU A 24 3.121 -2.608 3.060 1.00 1.00 C ATOM 0 H LEU A 24 5.940 -5.589 0.630 1.00 1.00 H new ATOM 0 HA LEU A 24 4.960 -4.912 3.364 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.745 -4.917 0.556 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.716 -4.970 1.973 1.00 1.00 H new ATOM 0 HG LEU A 24 4.876 -2.838 1.791 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.244 -1.292 0.680 1.00 1.00 H new ATOM 0 HD12 LEU A 24 3.637 -2.678 -0.365 1.00 1.00 H new ATOM 0 HD13 LEU A 24 2.092 -2.639 0.519 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.216 -1.526 3.147 1.00 1.00 H new ATOM 0 HD22 LEU A 24 2.066 -2.878 3.030 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.593 -3.084 3.919 1.00 1.00 H new ATOM 371 N HIS A 25 4.041 -7.155 3.889 1.00 1.00 N ATOM 372 CA HIS A 25 3.618 -8.503 4.298 1.00 1.00 C ATOM 373 C HIS A 25 2.123 -8.495 4.615 1.00 1.00 C ATOM 374 O HIS A 25 1.637 -7.605 5.309 1.00 1.00 O ATOM 375 CB HIS A 25 4.400 -8.916 5.554 1.00 1.00 C ATOM 376 CG HIS A 25 5.874 -8.888 5.258 1.00 1.00 C ATOM 377 ND1 HIS A 25 6.484 -9.820 4.435 1.00 1.00 N ATOM 378 CD2 HIS A 25 6.873 -8.034 5.664 1.00 1.00 C ATOM 379 CE1 HIS A 25 7.791 -9.511 4.376 1.00 1.00 C ATOM 380 NE2 HIS A 25 8.087 -8.432 5.104 1.00 1.00 N ATOM 0 H HIS A 25 4.025 -6.473 4.647 1.00 1.00 H new ATOM 0 HA HIS A 25 3.814 -9.209 3.491 1.00 1.00 H new ATOM 0 HB2 HIS A 25 4.171 -8.239 6.377 1.00 1.00 H new ATOM 0 HB3 HIS A 25 4.100 -9.915 5.870 1.00 1.00 H new ATOM 0 HD2 HIS A 25 6.738 -7.184 6.317 1.00 1.00 H new ATOM 0 HE1 HIS A 25 8.517 -10.071 3.806 1.00 1.00 H new ATOM 0 HE2 HIS A 25 9.001 -7.995 5.224 1.00 1.00 H new ATOM 389 N ALA A 26 1.390 -9.474 4.086 1.00 1.00 N ATOM 390 CA ALA A 26 -0.060 -9.552 4.296 1.00 1.00 C ATOM 391 C ALA A 26 -0.428 -9.367 5.776 1.00 1.00 C ATOM 392 O ALA A 26 0.228 -9.916 6.661 1.00 1.00 O ATOM 393 CB ALA A 26 -0.562 -10.916 3.817 1.00 1.00 C ATOM 0 H ALA A 26 1.773 -10.224 3.510 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.531 -8.749 3.729 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.639 -10.981 3.970 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.338 -11.034 2.757 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.067 -11.705 4.383 1.00 1.00 H new ATOM 399 N GLY A 27 -1.483 -8.581 6.031 1.00 1.00 N ATOM 400 CA GLY A 27 -1.943 -8.309 7.401 1.00 1.00 C ATOM 401 C GLY A 27 -1.347 -7.007 7.931 1.00 1.00 C ATOM 402 O GLY A 27 -1.667 -6.576 9.037 1.00 1.00 O ATOM 0 H GLY A 27 -2.035 -8.122 5.306 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -3.031 -8.248 7.417 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.660 -9.135 8.054 1.00 1.00 H new ATOM 406 N ASP A 28 -0.482 -6.378 7.133 1.00 1.00 N ATOM 407 CA ASP A 28 0.148 -5.119 7.539 1.00 1.00 C ATOM 408 C ASP A 28 -0.903 -4.009 7.671 1.00 1.00 C ATOM 409 O ASP A 28 -1.631 -3.714 6.727 1.00 1.00 O ATOM 410 CB ASP A 28 1.211 -4.713 6.503 1.00 1.00 C ATOM 411 CG ASP A 28 0.587 -4.586 5.123 1.00 1.00 C ATOM 412 OD1 ASP A 28 0.352 -5.612 4.507 1.00 1.00 O ATOM 413 OD2 ASP A 28 0.353 -3.465 4.700 1.00 1.00 O ATOM 0 H ASP A 28 -0.203 -6.715 6.211 1.00 1.00 H new ATOM 0 HA ASP A 28 0.624 -5.263 8.509 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.666 -3.765 6.792 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.009 -5.456 6.481 1.00 1.00 H new ATOM 418 N LEU A 29 -0.967 -3.392 8.855 1.00 1.00 N ATOM 419 CA LEU A 29 -1.919 -2.303 9.132 1.00 1.00 C ATOM 420 C LEU A 29 -1.295 -0.996 8.739 1.00 1.00 C ATOM 421 O LEU A 29 -0.195 -0.739 9.168 1.00 1.00 O ATOM 422 CB LEU A 29 -2.189 -2.276 10.643 1.00 1.00 C ATOM 423 CG LEU A 29 -3.267 -1.225 11.034 1.00 1.00 C ATOM 424 CD1 LEU A 29 -4.600 -1.445 10.266 1.00 1.00 C ATOM 425 CD2 LEU A 29 -3.509 -1.316 12.557 1.00 1.00 C ATOM 0 H LEU A 29 -0.367 -3.628 9.645 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.843 -2.458 8.575 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -2.514 -3.264 10.969 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -1.262 -2.055 11.171 1.00 1.00 H new ATOM 0 HG LEU A 29 -2.903 -0.234 10.762 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.324 -0.689 10.570 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.420 -1.365 9.194 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -4.992 -2.436 10.495 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.263 -0.585 12.850 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -3.856 -2.317 12.811 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -2.579 -1.109 13.086 1.00 1.00 H new ATOM 437 N ILE A 30 -1.989 -0.135 7.987 1.00 1.00 N ATOM 438 CA ILE A 30 -1.417 1.166 7.622 1.00 1.00 C ATOM 439 C ILE A 30 -1.750 2.186 8.724 1.00 1.00 C ATOM 440 O ILE A 30 -2.917 2.362 9.076 1.00 1.00 O ATOM 441 CB ILE A 30 -2.006 1.639 6.266 1.00 1.00 C ATOM 442 CG1 ILE A 30 -2.003 0.473 5.235 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.184 2.819 5.723 1.00 1.00 C ATOM 444 CD1 ILE A 30 -0.607 -0.155 5.065 1.00 1.00 C ATOM 0 H ILE A 30 -2.927 -0.309 7.626 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.335 1.077 7.521 1.00 1.00 H new ATOM 0 HB ILE A 30 -3.035 1.961 6.426 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.707 -0.294 5.556 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -2.352 0.843 4.271 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.602 3.146 4.771 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.216 3.643 6.436 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -0.150 2.505 5.576 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.658 -0.963 4.336 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.094 0.604 4.717 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -0.267 -0.551 6.022 1.00 1.00 H new ATOM 456 N THR A 31 -0.723 2.847 9.270 1.00 1.00 N ATOM 457 CA THR A 31 -0.904 3.846 10.344 1.00 1.00 C ATOM 458 C THR A 31 -0.939 5.268 9.778 1.00 1.00 C ATOM 459 O THR A 31 -1.678 6.118 10.274 1.00 1.00 O ATOM 460 CB THR A 31 0.248 3.723 11.352 1.00 1.00 C ATOM 461 OG1 THR A 31 1.480 3.975 10.692 1.00 1.00 O ATOM 462 CG2 THR A 31 0.267 2.307 11.945 1.00 1.00 C ATOM 0 H THR A 31 0.248 2.711 8.988 1.00 1.00 H new ATOM 0 HA THR A 31 -1.857 3.652 10.837 1.00 1.00 H new ATOM 0 HB THR A 31 0.107 4.448 12.153 1.00 1.00 H new ATOM 0 HG1 THR A 31 2.217 3.899 11.334 1.00 1.00 H new ATOM 0 HG21 THR A 31 1.086 2.223 12.660 1.00 1.00 H new ATOM 0 HG22 THR A 31 -0.678 2.112 12.451 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.407 1.580 11.145 1.00 1.00 H new ATOM 470 N GLU A 32 -0.135 5.526 8.741 1.00 1.00 N ATOM 471 CA GLU A 32 -0.079 6.861 8.115 1.00 1.00 C ATOM 472 C GLU A 32 0.353 6.732 6.653 1.00 1.00 C ATOM 473 O GLU A 32 1.100 5.824 6.292 1.00 1.00 O ATOM 474 CB GLU A 32 0.910 7.759 8.892 1.00 1.00 C ATOM 475 CG GLU A 32 0.860 9.208 8.373 1.00 1.00 C ATOM 476 CD GLU A 32 1.844 10.076 9.156 1.00 1.00 C ATOM 477 OE1 GLU A 32 2.992 9.678 9.269 1.00 1.00 O ATOM 478 OE2 GLU A 32 1.439 11.122 9.637 1.00 1.00 O ATOM 0 H GLU A 32 0.484 4.836 8.316 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.068 7.317 8.147 1.00 1.00 H new ATOM 0 HB2 GLU A 32 0.667 7.740 9.954 1.00 1.00 H new ATOM 0 HB3 GLU A 32 1.922 7.366 8.790 1.00 1.00 H new ATOM 0 HG2 GLU A 32 1.106 9.232 7.311 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.150 9.605 8.475 1.00 1.00 H new ATOM 485 N ILE A 33 -0.125 7.652 5.810 1.00 1.00 N ATOM 486 CA ILE A 33 0.210 7.648 4.372 1.00 1.00 C ATOM 487 C ILE A 33 0.252 9.106 3.895 1.00 1.00 C ATOM 488 O ILE A 33 -0.598 9.907 4.280 1.00 1.00 O ATOM 489 CB ILE A 33 -0.862 6.792 3.603 1.00 1.00 C ATOM 490 CG1 ILE A 33 -0.238 6.048 2.382 1.00 1.00 C ATOM 491 CG2 ILE A 33 -2.075 7.644 3.136 1.00 1.00 C ATOM 492 CD1 ILE A 33 0.415 7.004 1.375 1.00 1.00 C ATOM 0 H ILE A 33 -0.745 8.411 6.093 1.00 1.00 H new ATOM 0 HA ILE A 33 1.183 7.197 4.180 1.00 1.00 H new ATOM 0 HB ILE A 33 -1.224 6.052 4.317 1.00 1.00 H new ATOM 0 HG12 ILE A 33 0.508 5.337 2.738 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -1.014 5.471 1.878 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.786 7.007 2.610 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -2.561 8.092 4.003 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -1.730 8.432 2.466 1.00 1.00 H new ATOM 0 HD11 ILE A 33 0.832 6.431 0.547 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.334 7.699 0.995 1.00 1.00 H new ATOM 0 HD13 ILE A 33 1.211 7.562 1.867 1.00 1.00 H new ATOM 504 N ASP A 34 1.219 9.444 3.047 1.00 1.00 N ATOM 505 CA ASP A 34 1.328 10.811 2.517 1.00 1.00 C ATOM 506 C ASP A 34 1.219 11.870 3.622 1.00 1.00 C ATOM 507 O ASP A 34 0.887 13.027 3.357 1.00 1.00 O ATOM 508 CB ASP A 34 0.232 11.041 1.457 1.00 1.00 C ATOM 509 CG ASP A 34 0.463 12.363 0.725 1.00 1.00 C ATOM 510 OD1 ASP A 34 1.537 12.529 0.172 1.00 1.00 O ATOM 511 OD2 ASP A 34 -0.427 13.198 0.739 1.00 1.00 O ATOM 0 H ASP A 34 1.936 8.801 2.711 1.00 1.00 H new ATOM 0 HA ASP A 34 2.314 10.915 2.064 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.231 10.218 0.742 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.748 11.049 1.935 1.00 1.00 H new ATOM 516 N GLY A 35 1.501 11.463 4.858 1.00 1.00 N ATOM 517 CA GLY A 35 1.438 12.373 6.008 1.00 1.00 C ATOM 518 C GLY A 35 0.001 12.557 6.496 1.00 1.00 C ATOM 519 O GLY A 35 -0.230 13.163 7.541 1.00 1.00 O ATOM 0 H GLY A 35 1.776 10.509 5.093 1.00 1.00 H new ATOM 0 HA2 GLY A 35 2.052 11.980 6.819 1.00 1.00 H new ATOM 0 HA3 GLY A 35 1.857 13.341 5.731 1.00 1.00 H new ATOM 523 N GLN A 36 -0.967 12.026 5.737 1.00 1.00 N ATOM 524 CA GLN A 36 -2.389 12.134 6.105 1.00 1.00 C ATOM 525 C GLN A 36 -2.784 10.970 7.017 1.00 1.00 C ATOM 526 O GLN A 36 -2.108 9.943 7.050 1.00 1.00 O ATOM 527 CB GLN A 36 -3.266 12.109 4.843 1.00 1.00 C ATOM 528 CG GLN A 36 -2.943 13.318 3.951 1.00 1.00 C ATOM 529 CD GLN A 36 -3.845 13.318 2.720 1.00 1.00 C ATOM 530 OE1 GLN A 36 -3.769 12.422 1.878 1.00 1.00 O ATOM 531 NE2 GLN A 36 -4.716 14.276 2.561 1.00 1.00 N ATOM 0 H GLN A 36 -0.795 11.520 4.869 1.00 1.00 H new ATOM 0 HA GLN A 36 -2.541 13.076 6.632 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -3.096 11.184 4.291 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -4.319 12.125 5.122 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -3.082 14.242 4.513 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -1.897 13.285 3.645 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -4.786 15.022 3.253 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -5.327 14.279 1.744 1.00 1.00 H new ATOM 540 N SER A 37 -3.885 11.148 7.767 1.00 1.00 N ATOM 541 CA SER A 37 -4.382 10.116 8.700 1.00 1.00 C ATOM 542 C SER A 37 -5.516 9.288 8.070 1.00 1.00 C ATOM 543 O SER A 37 -5.250 8.295 7.394 1.00 1.00 O ATOM 544 CB SER A 37 -4.872 10.794 9.988 1.00 1.00 C ATOM 545 OG SER A 37 -5.930 11.692 9.674 1.00 1.00 O ATOM 0 H SER A 37 -4.450 11.997 7.747 1.00 1.00 H new ATOM 0 HA SER A 37 -3.565 9.432 8.930 1.00 1.00 H new ATOM 0 HB2 SER A 37 -5.216 10.043 10.699 1.00 1.00 H new ATOM 0 HB3 SER A 37 -4.052 11.332 10.464 1.00 1.00 H new ATOM 0 HG SER A 37 -6.631 11.623 10.356 1.00 1.00 H new ATOM 551 N PHE A 38 -6.769 9.699 8.316 1.00 1.00 N ATOM 552 CA PHE A 38 -7.953 8.996 7.803 1.00 1.00 C ATOM 553 C PHE A 38 -7.987 7.544 8.304 1.00 1.00 C ATOM 554 O PHE A 38 -6.956 6.878 8.381 1.00 1.00 O ATOM 555 CB PHE A 38 -8.000 9.036 6.258 1.00 1.00 C ATOM 556 CG PHE A 38 -8.131 10.488 5.779 1.00 1.00 C ATOM 557 CD1 PHE A 38 -9.322 11.182 6.018 1.00 1.00 C ATOM 558 CD2 PHE A 38 -7.075 11.127 5.116 1.00 1.00 C ATOM 559 CE1 PHE A 38 -9.460 12.510 5.598 1.00 1.00 C ATOM 560 CE2 PHE A 38 -7.212 12.454 4.695 1.00 1.00 C ATOM 561 CZ PHE A 38 -8.404 13.147 4.934 1.00 1.00 C ATOM 0 H PHE A 38 -6.989 10.524 8.874 1.00 1.00 H new ATOM 0 HA PHE A 38 -8.835 9.512 8.182 1.00 1.00 H new ATOM 0 HB2 PHE A 38 -7.096 8.588 5.846 1.00 1.00 H new ATOM 0 HB3 PHE A 38 -8.842 8.446 5.895 1.00 1.00 H new ATOM 0 HD1 PHE A 38 -10.138 10.691 6.528 1.00 1.00 H new ATOM 0 HD2 PHE A 38 -6.154 10.594 4.930 1.00 1.00 H new ATOM 0 HE1 PHE A 38 -10.380 13.043 5.786 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -6.396 12.945 4.185 1.00 1.00 H new ATOM 0 HZ PHE A 38 -8.509 14.171 4.607 1.00 1.00 H new ATOM 571 N LYS A 39 -9.192 7.063 8.663 1.00 1.00 N ATOM 572 CA LYS A 39 -9.387 5.690 9.179 1.00 1.00 C ATOM 573 C LYS A 39 -10.556 5.021 8.469 1.00 1.00 C ATOM 574 O LYS A 39 -11.680 5.015 8.965 1.00 1.00 O ATOM 575 CB LYS A 39 -9.662 5.731 10.695 1.00 1.00 C ATOM 576 CG LYS A 39 -8.505 6.425 11.457 1.00 1.00 C ATOM 577 CD LYS A 39 -7.221 5.565 11.451 1.00 1.00 C ATOM 578 CE LYS A 39 -6.116 6.295 12.210 1.00 1.00 C ATOM 579 NZ LYS A 39 -4.887 5.452 12.228 1.00 1.00 N ATOM 0 H LYS A 39 -10.052 7.608 8.605 1.00 1.00 H new ATOM 0 HA LYS A 39 -8.480 5.116 8.991 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -10.595 6.262 10.884 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -9.791 4.716 11.071 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -8.297 7.393 11.000 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -8.810 6.617 12.486 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -7.416 4.597 11.913 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -6.906 5.371 10.426 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -5.906 7.253 11.735 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -6.439 6.508 13.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -4.133 5.948 12.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -5.093 4.548 12.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -4.576 5.271 11.252 1.00 1.00 H new ATOM 593 N SER A 40 -10.244 4.438 7.321 1.00 1.00 N ATOM 594 CA SER A 40 -11.227 3.717 6.502 1.00 1.00 C ATOM 595 C SER A 40 -10.561 3.244 5.210 1.00 1.00 C ATOM 596 O SER A 40 -9.570 3.823 4.764 1.00 1.00 O ATOM 597 CB SER A 40 -12.443 4.617 6.172 1.00 1.00 C ATOM 598 OG SER A 40 -11.975 5.897 5.780 1.00 1.00 O ATOM 0 H SER A 40 -9.304 4.447 6.925 1.00 1.00 H new ATOM 0 HA SER A 40 -11.587 2.857 7.067 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.036 4.172 5.373 1.00 1.00 H new ATOM 0 HB3 SER A 40 -13.094 4.704 7.042 1.00 1.00 H new ATOM 0 HG SER A 40 -11.793 6.437 6.577 1.00 1.00 H new ATOM 604 N SER A 41 -11.121 2.194 4.603 1.00 1.00 N ATOM 605 CA SER A 41 -10.584 1.659 3.353 1.00 1.00 C ATOM 606 C SER A 41 -11.002 2.540 2.181 1.00 1.00 C ATOM 607 O SER A 41 -10.175 2.946 1.376 1.00 1.00 O ATOM 608 CB SER A 41 -11.106 0.237 3.130 1.00 1.00 C ATOM 609 OG SER A 41 -12.524 0.265 3.064 1.00 1.00 O ATOM 0 H SER A 41 -11.941 1.701 4.956 1.00 1.00 H new ATOM 0 HA SER A 41 -9.496 1.642 3.419 1.00 1.00 H new ATOM 0 HB2 SER A 41 -10.695 -0.174 2.208 1.00 1.00 H new ATOM 0 HB3 SER A 41 -10.781 -0.414 3.941 1.00 1.00 H new ATOM 0 HG SER A 41 -12.897 -0.162 3.863 1.00 1.00 H new ATOM 615 N GLN A 42 -12.298 2.819 2.065 1.00 1.00 N ATOM 616 CA GLN A 42 -12.803 3.620 0.945 1.00 1.00 C ATOM 617 C GLN A 42 -12.034 4.934 0.812 1.00 1.00 C ATOM 618 O GLN A 42 -11.675 5.332 -0.294 1.00 1.00 O ATOM 619 CB GLN A 42 -14.293 3.914 1.168 1.00 1.00 C ATOM 620 CG GLN A 42 -15.089 2.600 1.158 1.00 1.00 C ATOM 621 CD GLN A 42 -16.563 2.885 1.431 1.00 1.00 C ATOM 622 OE1 GLN A 42 -17.206 2.184 2.325 1.00 1.00 O flip ATOM 623 NE2 GLN A 42 -17.147 3.791 0.839 1.00 1.00 N flip ATOM 0 H GLN A 42 -13.013 2.508 2.723 1.00 1.00 H new ATOM 0 HA GLN A 42 -12.665 3.054 0.024 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.433 4.428 2.119 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -14.663 4.580 0.388 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -14.978 2.104 0.194 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -14.695 1.920 1.913 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -16.653 4.344 0.139 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -18.125 3.989 1.048 1.00 1.00 H new ATOM 632 N GLU A 43 -11.757 5.588 1.933 1.00 1.00 N ATOM 633 CA GLU A 43 -11.001 6.837 1.901 1.00 1.00 C ATOM 634 C GLU A 43 -9.572 6.549 1.436 1.00 1.00 C ATOM 635 O GLU A 43 -8.938 7.385 0.795 1.00 1.00 O ATOM 636 CB GLU A 43 -10.971 7.482 3.292 1.00 1.00 C ATOM 637 CG GLU A 43 -12.399 7.854 3.735 1.00 1.00 C ATOM 638 CD GLU A 43 -12.376 8.518 5.117 1.00 1.00 C ATOM 639 OE1 GLU A 43 -11.292 8.745 5.627 1.00 1.00 O ATOM 640 OE2 GLU A 43 -13.441 8.806 5.639 1.00 1.00 O ATOM 0 H GLU A 43 -12.039 5.281 2.864 1.00 1.00 H new ATOM 0 HA GLU A 43 -11.484 7.527 1.209 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -10.527 6.794 4.011 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -10.344 8.373 3.275 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -12.847 8.530 3.007 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -13.022 6.960 3.765 1.00 1.00 H new ATOM 647 N PHE A 44 -9.072 5.352 1.763 1.00 1.00 N ATOM 648 CA PHE A 44 -7.720 4.946 1.372 1.00 1.00 C ATOM 649 C PHE A 44 -7.663 4.618 -0.115 1.00 1.00 C ATOM 650 O PHE A 44 -6.788 5.098 -0.831 1.00 1.00 O ATOM 651 CB PHE A 44 -7.295 3.721 2.195 1.00 1.00 C ATOM 652 CG PHE A 44 -5.792 3.473 2.042 1.00 1.00 C ATOM 653 CD1 PHE A 44 -4.889 4.229 2.796 1.00 1.00 C ATOM 654 CD2 PHE A 44 -5.313 2.499 1.157 1.00 1.00 C ATOM 655 CE1 PHE A 44 -3.511 4.014 2.666 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.938 2.281 1.025 1.00 1.00 C ATOM 657 CZ PHE A 44 -3.035 3.041 1.780 1.00 1.00 C ATOM 0 H PHE A 44 -9.584 4.649 2.297 1.00 1.00 H new ATOM 0 HA PHE A 44 -7.036 5.772 1.566 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.539 3.878 3.246 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.851 2.843 1.866 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -5.255 4.980 3.480 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -6.009 1.914 0.574 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -2.816 4.599 3.250 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.573 1.528 0.342 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.973 2.876 1.678 1.00 1.00 H new ATOM 667 N ILE A 45 -8.617 3.795 -0.576 1.00 1.00 N ATOM 668 CA ILE A 45 -8.666 3.404 -1.988 1.00 1.00 C ATOM 669 C ILE A 45 -8.716 4.679 -2.840 1.00 1.00 C ATOM 670 O ILE A 45 -8.180 4.724 -3.943 1.00 1.00 O ATOM 671 CB ILE A 45 -9.895 2.455 -2.299 1.00 1.00 C ATOM 672 CG1 ILE A 45 -9.572 0.962 -1.922 1.00 1.00 C ATOM 673 CG2 ILE A 45 -10.255 2.505 -3.824 1.00 1.00 C ATOM 674 CD1 ILE A 45 -9.548 0.757 -0.408 1.00 1.00 C ATOM 0 H ILE A 45 -9.355 3.393 0.002 1.00 1.00 H new ATOM 0 HA ILE A 45 -7.772 2.829 -2.232 1.00 1.00 H new ATOM 0 HB ILE A 45 -10.734 2.810 -1.700 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -10.318 0.304 -2.367 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -8.607 0.680 -2.343 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -11.102 1.847 -4.020 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.517 3.526 -4.103 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.397 2.177 -4.411 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -9.322 -0.286 -0.186 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -8.784 1.396 0.034 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -10.522 1.014 0.009 1.00 1.00 H new ATOM 686 N ASP A 46 -9.377 5.701 -2.312 1.00 1.00 N ATOM 687 CA ASP A 46 -9.513 6.970 -3.031 1.00 1.00 C ATOM 688 C ASP A 46 -8.153 7.648 -3.235 1.00 1.00 C ATOM 689 O ASP A 46 -7.912 8.251 -4.280 1.00 1.00 O ATOM 690 CB ASP A 46 -10.450 7.917 -2.259 1.00 1.00 C ATOM 691 CG ASP A 46 -11.851 7.318 -2.161 1.00 1.00 C ATOM 692 OD1 ASP A 46 -12.245 6.628 -3.085 1.00 1.00 O ATOM 693 OD2 ASP A 46 -12.496 7.548 -1.151 1.00 1.00 O ATOM 0 H ASP A 46 -9.826 5.681 -1.396 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.937 6.752 -4.011 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.054 8.096 -1.260 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.495 8.883 -2.762 1.00 1.00 H new ATOM 698 N TYR A 47 -7.274 7.572 -2.231 1.00 1.00 N ATOM 699 CA TYR A 47 -5.958 8.218 -2.334 1.00 1.00 C ATOM 700 C TYR A 47 -5.075 7.541 -3.396 1.00 1.00 C ATOM 701 O TYR A 47 -4.533 8.211 -4.273 1.00 1.00 O ATOM 702 CB TYR A 47 -5.249 8.183 -0.961 1.00 1.00 C ATOM 703 CG TYR A 47 -3.909 8.916 -1.065 1.00 1.00 C ATOM 704 CD1 TYR A 47 -3.908 10.308 -1.218 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.697 8.214 -1.063 1.00 1.00 C ATOM 706 CE1 TYR A 47 -2.700 10.997 -1.371 1.00 1.00 C ATOM 707 CE2 TYR A 47 -1.488 8.900 -1.215 1.00 1.00 C ATOM 708 CZ TYR A 47 -1.491 10.292 -1.368 1.00 1.00 C ATOM 709 OH TYR A 47 -0.299 10.971 -1.526 1.00 1.00 O ATOM 0 H TYR A 47 -7.442 7.080 -1.353 1.00 1.00 H new ATOM 0 HA TYR A 47 -6.115 9.252 -2.641 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.876 8.653 -0.203 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -5.089 7.151 -0.648 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -4.842 10.851 -1.218 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -2.696 7.141 -0.944 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -2.700 12.070 -1.491 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.554 8.358 -1.214 1.00 1.00 H new ATOM 0 HH TYR A 47 0.446 10.335 -1.499 1.00 1.00 H new ATOM 719 N ILE A 48 -4.929 6.218 -3.304 1.00 1.00 N ATOM 720 CA ILE A 48 -4.089 5.467 -4.265 1.00 1.00 C ATOM 721 C ILE A 48 -4.719 5.483 -5.665 1.00 1.00 C ATOM 722 O ILE A 48 -4.023 5.672 -6.662 1.00 1.00 O ATOM 723 CB ILE A 48 -3.858 3.977 -3.784 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.989 3.546 -2.821 1.00 1.00 C ATOM 725 CG2 ILE A 48 -2.492 3.826 -3.065 1.00 1.00 C ATOM 726 CD1 ILE A 48 -4.963 2.024 -2.604 1.00 1.00 C ATOM 0 H ILE A 48 -5.371 5.642 -2.587 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.119 5.962 -4.313 1.00 1.00 H new ATOM 0 HB ILE A 48 -3.862 3.338 -4.667 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -4.875 4.057 -1.865 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.955 3.844 -3.229 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -2.361 2.792 -2.746 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -1.689 4.099 -3.749 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -2.465 4.481 -2.194 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.766 1.740 -1.924 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -5.101 1.518 -3.559 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -4.004 1.734 -2.175 1.00 1.00 H new ATOM 738 N HIS A 49 -6.025 5.258 -5.733 1.00 1.00 N ATOM 739 CA HIS A 49 -6.724 5.222 -7.017 1.00 1.00 C ATOM 740 C HIS A 49 -6.695 6.588 -7.706 1.00 1.00 C ATOM 741 O HIS A 49 -6.971 6.682 -8.902 1.00 1.00 O ATOM 742 CB HIS A 49 -8.181 4.781 -6.784 1.00 1.00 C ATOM 743 CG HIS A 49 -8.901 4.580 -8.094 1.00 1.00 C ATOM 744 ND1 HIS A 49 -9.415 5.635 -8.826 1.00 1.00 N ATOM 745 CD2 HIS A 49 -9.235 3.441 -8.791 1.00 1.00 C ATOM 746 CE1 HIS A 49 -10.023 5.118 -9.906 1.00 1.00 C ATOM 747 NE2 HIS A 49 -9.947 3.785 -9.939 1.00 1.00 N ATOM 0 H HIS A 49 -6.621 5.098 -4.921 1.00 1.00 H new ATOM 0 HA HIS A 49 -6.218 4.511 -7.670 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.197 3.854 -6.210 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.702 5.532 -6.190 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -8.984 2.434 -8.494 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -10.517 5.712 -10.661 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -10.326 3.157 -10.648 1.00 1.00 H new ATOM 756 N SER A 50 -6.385 7.651 -6.944 1.00 1.00 N ATOM 757 CA SER A 50 -6.354 9.026 -7.482 1.00 1.00 C ATOM 758 C SER A 50 -4.922 9.514 -7.675 1.00 1.00 C ATOM 759 O SER A 50 -4.705 10.608 -8.196 1.00 1.00 O ATOM 760 CB SER A 50 -7.075 9.960 -6.505 1.00 1.00 C ATOM 761 OG SER A 50 -6.381 9.965 -5.264 1.00 1.00 O ATOM 0 H SER A 50 -6.152 7.586 -5.953 1.00 1.00 H new ATOM 0 HA SER A 50 -6.850 9.028 -8.453 1.00 1.00 H new ATOM 0 HB2 SER A 50 -7.120 10.969 -6.914 1.00 1.00 H new ATOM 0 HB3 SER A 50 -8.103 9.629 -6.359 1.00 1.00 H new ATOM 0 HG SER A 50 -6.656 9.189 -4.732 1.00 1.00 H new ATOM 767 N LYS A 51 -3.940 8.704 -7.266 1.00 1.00 N ATOM 768 CA LYS A 51 -2.533 9.063 -7.408 1.00 1.00 C ATOM 769 C LYS A 51 -2.048 8.612 -8.788 1.00 1.00 C ATOM 770 O LYS A 51 -2.346 7.516 -9.208 1.00 1.00 O ATOM 771 CB LYS A 51 -1.724 8.366 -6.281 1.00 1.00 C ATOM 772 CG LYS A 51 -0.430 9.152 -5.935 1.00 1.00 C ATOM 773 CD LYS A 51 -0.725 10.289 -4.926 1.00 1.00 C ATOM 774 CE LYS A 51 0.537 11.124 -4.674 1.00 1.00 C ATOM 775 NZ LYS A 51 0.899 11.847 -5.925 1.00 1.00 N ATOM 0 H LYS A 51 -4.099 7.794 -6.833 1.00 1.00 H new ATOM 0 HA LYS A 51 -2.395 10.141 -7.323 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -2.345 8.276 -5.390 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -1.464 7.354 -6.592 1.00 1.00 H new ATOM 0 HG2 LYS A 51 0.312 8.472 -5.516 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.000 9.571 -6.845 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -1.520 10.928 -5.311 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -1.082 9.866 -3.987 1.00 1.00 H new ATOM 0 HE2 LYS A 51 0.363 11.834 -3.866 1.00 1.00 H new ATOM 0 HE3 LYS A 51 1.358 10.480 -4.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 1.923 12.028 -5.937 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 0.640 11.267 -6.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 0.387 12.751 -5.964 1.00 1.00 H new ATOM 789 N LYS A 52 -1.310 9.467 -9.469 1.00 1.00 N ATOM 790 CA LYS A 52 -0.809 9.168 -10.824 1.00 1.00 C ATOM 791 C LYS A 52 0.256 8.066 -10.809 1.00 1.00 C ATOM 792 O LYS A 52 0.943 7.869 -9.806 1.00 1.00 O ATOM 793 CB LYS A 52 -0.231 10.458 -11.433 1.00 1.00 C ATOM 794 CG LYS A 52 -1.346 11.510 -11.559 1.00 1.00 C ATOM 795 CD LYS A 52 -0.784 12.807 -12.156 1.00 1.00 C ATOM 796 CE LYS A 52 -1.911 13.836 -12.313 1.00 1.00 C ATOM 797 NZ LYS A 52 -2.492 14.144 -10.974 1.00 1.00 N ATOM 0 H LYS A 52 -1.035 10.383 -9.115 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.639 8.803 -11.429 1.00 1.00 H new ATOM 0 HB2 LYS A 52 0.575 10.840 -10.806 1.00 1.00 H new ATOM 0 HB3 LYS A 52 0.199 10.249 -12.413 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -2.148 11.127 -12.191 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -1.780 11.710 -10.579 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -0.001 13.206 -11.511 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -0.326 12.604 -13.124 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -1.526 14.746 -12.772 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -2.684 13.447 -12.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -2.645 15.169 -10.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -3.400 13.648 -10.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -1.836 13.830 -10.230 1.00 1.00 H new ATOM 811 N VAL A 53 0.382 7.341 -11.935 1.00 1.00 N ATOM 812 CA VAL A 53 1.359 6.250 -12.045 1.00 1.00 C ATOM 813 C VAL A 53 2.790 6.786 -11.953 1.00 1.00 C ATOM 814 O VAL A 53 3.111 7.830 -12.521 1.00 1.00 O ATOM 815 CB VAL A 53 1.215 5.497 -13.402 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.111 4.236 -13.414 1.00 1.00 C ATOM 817 CG2 VAL A 53 -0.245 5.082 -13.622 1.00 1.00 C ATOM 0 H VAL A 53 -0.177 7.491 -12.774 1.00 1.00 H new ATOM 0 HA VAL A 53 1.160 5.566 -11.220 1.00 1.00 H new ATOM 0 HB VAL A 53 1.527 6.168 -14.203 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.000 3.720 -14.368 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.152 4.528 -13.278 1.00 1.00 H new ATOM 0 HG13 VAL A 53 1.813 3.570 -12.604 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.335 4.557 -14.573 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.562 4.424 -12.813 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.877 5.970 -13.637 1.00 1.00 H new ATOM 827 N GLY A 54 3.653 6.035 -11.267 1.00 1.00 N ATOM 828 CA GLY A 54 5.070 6.398 -11.132 1.00 1.00 C ATOM 829 C GLY A 54 5.320 7.265 -9.912 1.00 1.00 C ATOM 830 O GLY A 54 6.445 7.328 -9.417 1.00 1.00 O ATOM 0 H GLY A 54 3.397 5.168 -10.794 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.672 5.492 -11.062 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.395 6.929 -12.027 1.00 1.00 H new ATOM 834 N ASP A 55 4.293 7.965 -9.439 1.00 1.00 N ATOM 835 CA ASP A 55 4.437 8.859 -8.287 1.00 1.00 C ATOM 836 C ASP A 55 5.040 8.132 -7.092 1.00 1.00 C ATOM 837 O ASP A 55 4.864 6.931 -6.953 1.00 1.00 O ATOM 838 CB ASP A 55 3.047 9.416 -7.916 1.00 1.00 C ATOM 839 CG ASP A 55 3.165 10.601 -6.958 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.378 10.371 -5.778 1.00 1.00 O ATOM 841 OD2 ASP A 55 2.988 11.718 -7.414 1.00 1.00 O ATOM 0 H ASP A 55 3.352 7.933 -9.832 1.00 1.00 H new ATOM 0 HA ASP A 55 5.112 9.672 -8.554 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.523 9.727 -8.820 1.00 1.00 H new ATOM 0 HB3 ASP A 55 2.448 8.630 -7.455 1.00 1.00 H new ATOM 846 N THR A 56 5.743 8.880 -6.229 1.00 1.00 N ATOM 847 CA THR A 56 6.375 8.311 -5.025 1.00 1.00 C ATOM 848 C THR A 56 5.569 8.696 -3.774 1.00 1.00 C ATOM 849 O THR A 56 5.239 9.862 -3.558 1.00 1.00 O ATOM 850 CB THR A 56 7.819 8.833 -4.902 1.00 1.00 C ATOM 851 OG1 THR A 56 8.473 8.694 -6.158 1.00 1.00 O ATOM 852 CG2 THR A 56 8.599 8.037 -3.842 1.00 1.00 C ATOM 0 H THR A 56 5.890 9.883 -6.341 1.00 1.00 H new ATOM 0 HA THR A 56 6.392 7.225 -5.111 1.00 1.00 H new ATOM 0 HB THR A 56 7.787 9.880 -4.602 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.392 9.026 -6.087 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.616 8.423 -3.772 1.00 1.00 H new ATOM 0 HG22 THR A 56 8.106 8.138 -2.875 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.629 6.985 -4.126 1.00 1.00 H new ATOM 860 N VAL A 57 5.244 7.681 -2.985 1.00 1.00 N ATOM 861 CA VAL A 57 4.444 7.808 -1.747 1.00 1.00 C ATOM 862 C VAL A 57 5.275 7.378 -0.550 1.00 1.00 C ATOM 863 O VAL A 57 6.365 6.827 -0.715 1.00 1.00 O ATOM 864 CB VAL A 57 3.166 6.948 -1.845 1.00 1.00 C ATOM 865 CG1 VAL A 57 2.286 7.473 -2.994 1.00 1.00 C ATOM 866 CG2 VAL A 57 3.535 5.479 -2.120 1.00 1.00 C ATOM 0 H VAL A 57 5.529 6.721 -3.181 1.00 1.00 H new ATOM 0 HA VAL A 57 4.152 8.850 -1.620 1.00 1.00 H new ATOM 0 HB VAL A 57 2.623 7.009 -0.902 1.00 1.00 H new ATOM 0 HG11 VAL A 57 1.382 6.868 -3.066 1.00 1.00 H new ATOM 0 HG12 VAL A 57 2.013 8.510 -2.799 1.00 1.00 H new ATOM 0 HG13 VAL A 57 2.838 7.413 -3.932 1.00 1.00 H new ATOM 0 HG21 VAL A 57 2.626 4.882 -2.187 1.00 1.00 H new ATOM 0 HG22 VAL A 57 4.084 5.411 -3.059 1.00 1.00 H new ATOM 0 HG23 VAL A 57 4.157 5.102 -1.308 1.00 1.00 H new ATOM 876 N LYS A 58 4.743 7.602 0.660 1.00 1.00 N ATOM 877 CA LYS A 58 5.411 7.209 1.907 1.00 1.00 C ATOM 878 C LYS A 58 4.429 6.343 2.698 1.00 1.00 C ATOM 879 O LYS A 58 3.375 6.821 3.116 1.00 1.00 O ATOM 880 CB LYS A 58 5.771 8.484 2.691 1.00 1.00 C ATOM 881 CG LYS A 58 6.547 8.136 3.981 1.00 1.00 C ATOM 882 CD LYS A 58 7.017 9.440 4.715 1.00 1.00 C ATOM 883 CE LYS A 58 8.383 9.922 4.182 1.00 1.00 C ATOM 884 NZ LYS A 58 9.413 8.876 4.444 1.00 1.00 N ATOM 0 H LYS A 58 3.842 8.059 0.801 1.00 1.00 H new ATOM 0 HA LYS A 58 6.326 6.647 1.719 1.00 1.00 H new ATOM 0 HB2 LYS A 58 6.374 9.143 2.066 1.00 1.00 H new ATOM 0 HB3 LYS A 58 4.862 9.029 2.944 1.00 1.00 H new ATOM 0 HG2 LYS A 58 5.913 7.548 4.645 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.412 7.519 3.736 1.00 1.00 H new ATOM 0 HD2 LYS A 58 6.273 10.225 4.578 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.088 9.251 5.786 1.00 1.00 H new ATOM 0 HE2 LYS A 58 8.318 10.124 3.113 1.00 1.00 H new ATOM 0 HE3 LYS A 58 8.666 10.856 4.667 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 10.340 9.328 4.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 9.160 8.347 5.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 9.458 8.223 3.636 1.00 1.00 H new ATOM 898 N ILE A 59 4.763 5.059 2.870 1.00 1.00 N ATOM 899 CA ILE A 59 3.894 4.098 3.578 1.00 1.00 C ATOM 900 C ILE A 59 4.341 3.942 5.036 1.00 1.00 C ATOM 901 O ILE A 59 5.537 3.892 5.321 1.00 1.00 O ATOM 902 CB ILE A 59 3.948 2.702 2.840 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.610 1.889 3.050 1.00 1.00 C ATOM 904 CG2 ILE A 59 5.150 1.857 3.338 1.00 1.00 C ATOM 905 CD1 ILE A 59 1.584 2.235 1.968 1.00 1.00 C ATOM 0 H ILE A 59 5.634 4.654 2.528 1.00 1.00 H new ATOM 0 HA ILE A 59 2.870 4.472 3.573 1.00 1.00 H new ATOM 0 HB ILE A 59 4.071 2.905 1.776 1.00 1.00 H new ATOM 0 HG12 ILE A 59 2.822 0.820 3.027 1.00 1.00 H new ATOM 0 HG13 ILE A 59 2.196 2.111 4.034 1.00 1.00 H new ATOM 0 HG21 ILE A 59 5.164 0.901 2.814 1.00 1.00 H new ATOM 0 HG22 ILE A 59 6.078 2.393 3.140 1.00 1.00 H new ATOM 0 HG23 ILE A 59 5.053 1.682 4.410 1.00 1.00 H new ATOM 0 HD11 ILE A 59 0.672 1.662 2.135 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.356 3.300 2.010 1.00 1.00 H new ATOM 0 HD13 ILE A 59 1.992 1.989 0.988 1.00 1.00 H new ATOM 917 N LYS A 60 3.374 3.815 5.942 1.00 1.00 N ATOM 918 CA LYS A 60 3.656 3.598 7.368 1.00 1.00 C ATOM 919 C LYS A 60 2.738 2.476 7.849 1.00 1.00 C ATOM 920 O LYS A 60 1.522 2.647 7.887 1.00 1.00 O ATOM 921 CB LYS A 60 3.395 4.903 8.166 1.00 1.00 C ATOM 922 CG LYS A 60 4.043 4.850 9.596 1.00 1.00 C ATOM 923 CD LYS A 60 5.575 5.227 9.563 1.00 1.00 C ATOM 924 CE LYS A 60 5.785 6.738 9.822 1.00 1.00 C ATOM 925 NZ LYS A 60 4.959 7.538 8.878 1.00 1.00 N ATOM 0 H LYS A 60 2.380 3.858 5.716 1.00 1.00 H new ATOM 0 HA LYS A 60 4.699 3.322 7.521 1.00 1.00 H new ATOM 0 HB2 LYS A 60 3.798 5.753 7.615 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.321 5.064 8.259 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.515 5.535 10.259 1.00 1.00 H new ATOM 0 HG3 LYS A 60 3.924 3.849 10.011 1.00 1.00 H new ATOM 0 HD2 LYS A 60 6.111 4.648 10.315 1.00 1.00 H new ATOM 0 HD3 LYS A 60 5.997 4.959 8.595 1.00 1.00 H new ATOM 0 HE2 LYS A 60 5.514 6.980 10.850 1.00 1.00 H new ATOM 0 HE3 LYS A 60 6.838 6.993 9.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 5.195 8.546 8.979 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 5.153 7.233 7.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 3.951 7.395 9.092 1.00 1.00 H new ATOM 939 N TYR A 61 3.318 1.317 8.190 1.00 1.00 N ATOM 940 CA TYR A 61 2.531 0.157 8.638 1.00 1.00 C ATOM 941 C TYR A 61 3.287 -0.614 9.703 1.00 1.00 C ATOM 942 O TYR A 61 4.505 -0.467 9.831 1.00 1.00 O ATOM 943 CB TYR A 61 2.202 -0.748 7.426 1.00 1.00 C ATOM 944 CG TYR A 61 3.462 -1.422 6.868 1.00 1.00 C ATOM 945 CD1 TYR A 61 3.999 -2.550 7.498 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.097 -0.902 5.732 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.159 -3.156 7.001 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.257 -1.503 5.232 1.00 1.00 C ATOM 949 CZ TYR A 61 5.789 -2.632 5.867 1.00 1.00 C ATOM 950 OH TYR A 61 6.934 -3.228 5.374 1.00 1.00 O ATOM 0 H TYR A 61 4.325 1.157 8.165 1.00 1.00 H new ATOM 0 HA TYR A 61 1.596 0.504 9.077 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.483 -1.510 7.725 1.00 1.00 H new ATOM 0 HB3 TYR A 61 1.730 -0.153 6.644 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.515 -2.956 8.374 1.00 1.00 H new ATOM 0 HD2 TYR A 61 3.688 -0.032 5.240 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.567 -4.027 7.492 1.00 1.00 H new ATOM 0 HE2 TYR A 61 5.742 -1.097 4.357 1.00 1.00 H new ATOM 0 HH TYR A 61 6.776 -3.531 4.455 1.00 1.00 H new ATOM 960 N LYS A 62 2.561 -1.438 10.476 1.00 1.00 N ATOM 961 CA LYS A 62 3.172 -2.238 11.545 1.00 1.00 C ATOM 962 C LYS A 62 2.633 -3.660 11.475 1.00 1.00 C ATOM 963 O LYS A 62 1.429 -3.859 11.303 1.00 1.00 O ATOM 964 CB LYS A 62 2.822 -1.610 12.906 1.00 1.00 C ATOM 965 CG LYS A 62 3.457 -0.212 13.009 1.00 1.00 C ATOM 966 CD LYS A 62 3.128 0.418 14.376 1.00 1.00 C ATOM 967 CE LYS A 62 3.862 1.759 14.528 1.00 1.00 C ATOM 968 NZ LYS A 62 3.414 2.709 13.471 1.00 1.00 N ATOM 0 H LYS A 62 1.554 -1.566 10.380 1.00 1.00 H new ATOM 0 HA LYS A 62 4.255 -2.258 11.425 1.00 1.00 H new ATOM 0 HB2 LYS A 62 1.740 -1.538 13.017 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.184 -2.245 13.715 1.00 1.00 H new ATOM 0 HG2 LYS A 62 4.537 -0.284 12.883 1.00 1.00 H new ATOM 0 HG3 LYS A 62 3.085 0.425 12.207 1.00 1.00 H new ATOM 0 HD2 LYS A 62 2.052 0.571 14.466 1.00 1.00 H new ATOM 0 HD3 LYS A 62 3.422 -0.259 15.178 1.00 1.00 H new ATOM 0 HE2 LYS A 62 3.666 2.180 15.514 1.00 1.00 H new ATOM 0 HE3 LYS A 62 4.938 1.604 14.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 4.153 3.423 13.310 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 3.238 2.188 12.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 2.538 3.180 13.776 1.00 1.00 H new ATOM 982 N HIS A 63 3.521 -4.654 11.631 1.00 1.00 N ATOM 983 CA HIS A 63 3.150 -6.073 11.615 1.00 1.00 C ATOM 984 C HIS A 63 3.733 -6.724 12.871 1.00 1.00 C ATOM 985 O HIS A 63 4.932 -6.605 13.127 1.00 1.00 O ATOM 986 CB HIS A 63 3.730 -6.747 10.352 1.00 1.00 C ATOM 987 CG HIS A 63 3.247 -8.174 10.271 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.830 -9.193 11.008 1.00 1.00 N ATOM 989 CD2 HIS A 63 2.209 -8.753 9.582 1.00 1.00 C ATOM 990 CE1 HIS A 63 3.143 -10.318 10.750 1.00 1.00 C ATOM 991 NE2 HIS A 63 2.145 -10.112 9.888 1.00 1.00 N ATOM 0 H HIS A 63 4.518 -4.493 11.772 1.00 1.00 H new ATOM 0 HA HIS A 63 2.066 -6.186 11.600 1.00 1.00 H new ATOM 0 HB2 HIS A 63 3.424 -6.198 9.462 1.00 1.00 H new ATOM 0 HB3 HIS A 63 4.819 -6.723 10.382 1.00 1.00 H new ATOM 0 HD2 HIS A 63 1.544 -8.235 8.907 1.00 1.00 H new ATOM 0 HE1 HIS A 63 3.372 -11.278 11.189 1.00 1.00 H new ATOM 0 HE2 HIS A 63 1.481 -10.799 9.531 1.00 1.00 H new ATOM 1000 N GLY A 64 2.899 -7.399 13.658 1.00 1.00 N ATOM 1001 CA GLY A 64 3.381 -8.038 14.881 1.00 1.00 C ATOM 1002 C GLY A 64 3.918 -6.992 15.861 1.00 1.00 C ATOM 1003 O GLY A 64 3.170 -6.126 16.318 1.00 1.00 O ATOM 0 H GLY A 64 1.902 -7.517 13.476 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.571 -8.599 15.348 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.167 -8.754 14.638 1.00 1.00 H new ATOM 1007 N ASN A 65 5.224 -7.072 16.173 1.00 1.00 N ATOM 1008 CA ASN A 65 5.888 -6.125 17.095 1.00 1.00 C ATOM 1009 C ASN A 65 6.916 -5.269 16.350 1.00 1.00 C ATOM 1010 O ASN A 65 7.297 -4.199 16.826 1.00 1.00 O ATOM 1011 CB ASN A 65 6.594 -6.913 18.209 1.00 1.00 C ATOM 1012 CG ASN A 65 5.574 -7.734 18.990 1.00 1.00 C ATOM 1013 OD1 ASN A 65 4.568 -7.203 19.460 1.00 1.00 O ATOM 1014 ND2 ASN A 65 5.756 -9.016 19.152 1.00 1.00 N ATOM 0 H ASN A 65 5.847 -7.788 15.798 1.00 1.00 H new ATOM 0 HA ASN A 65 5.132 -5.466 17.522 1.00 1.00 H new ATOM 0 HB2 ASN A 65 7.350 -7.570 17.779 1.00 1.00 H new ATOM 0 HB3 ASN A 65 7.112 -6.227 18.879 1.00 1.00 H new ATOM 0 HD21 ASN A 65 5.068 -9.568 19.664 1.00 1.00 H new ATOM 0 HD22 ASN A 65 6.586 -9.466 18.767 1.00 1.00 H new ATOM 1021 N LYS A 66 7.384 -5.755 15.191 1.00 1.00 N ATOM 1022 CA LYS A 66 8.396 -5.031 14.397 1.00 1.00 C ATOM 1023 C LYS A 66 7.744 -4.090 13.373 1.00 1.00 C ATOM 1024 O LYS A 66 6.924 -4.499 12.553 1.00 1.00 O ATOM 1025 CB LYS A 66 9.324 -6.048 13.691 1.00 1.00 C ATOM 1026 CG LYS A 66 8.529 -6.971 12.742 1.00 1.00 C ATOM 1027 CD LYS A 66 9.455 -8.061 12.179 1.00 1.00 C ATOM 1028 CE LYS A 66 8.660 -8.991 11.254 1.00 1.00 C ATOM 1029 NZ LYS A 66 8.076 -8.196 10.136 1.00 1.00 N ATOM 0 H LYS A 66 7.083 -6.640 14.782 1.00 1.00 H new ATOM 0 HA LYS A 66 8.986 -4.412 15.073 1.00 1.00 H new ATOM 0 HB2 LYS A 66 10.088 -5.514 13.126 1.00 1.00 H new ATOM 0 HB3 LYS A 66 9.842 -6.650 14.438 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.697 -7.429 13.277 1.00 1.00 H new ATOM 0 HG3 LYS A 66 8.101 -6.388 11.927 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.278 -7.604 11.630 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.895 -8.634 12.995 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.310 -9.772 10.859 1.00 1.00 H new ATOM 0 HE3 LYS A 66 7.868 -9.489 11.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 7.852 -8.828 9.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 7.206 -7.727 10.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 8.761 -7.478 9.826 1.00 1.00 H new ATOM 1043 N ASN A 67 8.096 -2.800 13.453 1.00 1.00 N ATOM 1044 CA ASN A 67 7.552 -1.778 12.559 1.00 1.00 C ATOM 1045 C ASN A 67 8.481 -1.607 11.356 1.00 1.00 C ATOM 1046 O ASN A 67 9.701 -1.553 11.511 1.00 1.00 O ATOM 1047 CB ASN A 67 7.454 -0.446 13.320 1.00 1.00 C ATOM 1048 CG ASN A 67 6.621 -0.629 14.585 1.00 1.00 C ATOM 1049 OD1 ASN A 67 5.766 -1.511 14.659 1.00 1.00 O ATOM 1050 ND2 ASN A 67 6.820 0.158 15.608 1.00 1.00 N ATOM 0 H ASN A 67 8.762 -2.440 14.136 1.00 1.00 H new ATOM 0 HA ASN A 67 6.563 -2.080 12.214 1.00 1.00 H new ATOM 0 HB2 ASN A 67 8.452 -0.091 13.579 1.00 1.00 H new ATOM 0 HB3 ASN A 67 7.001 0.314 12.683 1.00 1.00 H new ATOM 0 HD21 ASN A 67 6.269 0.039 16.458 1.00 1.00 H new ATOM 0 HD22 ASN A 67 7.526 0.892 15.557 1.00 1.00 H new ATOM 1057 N GLU A 68 7.895 -1.523 10.158 1.00 1.00 N ATOM 1058 CA GLU A 68 8.669 -1.357 8.908 1.00 1.00 C ATOM 1059 C GLU A 68 7.982 -0.333 7.999 1.00 1.00 C ATOM 1060 O GLU A 68 6.754 -0.297 7.919 1.00 1.00 O ATOM 1061 CB GLU A 68 8.761 -2.709 8.172 1.00 1.00 C ATOM 1062 CG GLU A 68 9.363 -3.778 9.103 1.00 1.00 C ATOM 1063 CD GLU A 68 9.557 -5.100 8.356 1.00 1.00 C ATOM 1064 OE1 GLU A 68 9.549 -5.089 7.136 1.00 1.00 O ATOM 1065 OE2 GLU A 68 9.752 -6.107 9.016 1.00 1.00 O ATOM 0 H GLU A 68 6.885 -1.567 10.019 1.00 1.00 H new ATOM 0 HA GLU A 68 9.670 -1.005 9.156 1.00 1.00 H new ATOM 0 HB2 GLU A 68 7.770 -3.020 7.841 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.377 -2.605 7.279 1.00 1.00 H new ATOM 0 HG2 GLU A 68 10.320 -3.431 9.492 1.00 1.00 H new ATOM 0 HG3 GLU A 68 8.707 -3.932 9.960 1.00 1.00 H new ATOM 1072 N GLU A 69 8.780 0.498 7.304 1.00 1.00 N ATOM 1073 CA GLU A 69 8.249 1.525 6.384 1.00 1.00 C ATOM 1074 C GLU A 69 9.127 1.612 5.129 1.00 1.00 C ATOM 1075 O GLU A 69 10.353 1.522 5.211 1.00 1.00 O ATOM 1076 CB GLU A 69 8.184 2.886 7.098 1.00 1.00 C ATOM 1077 CG GLU A 69 9.580 3.307 7.593 1.00 1.00 C ATOM 1078 CD GLU A 69 9.480 4.615 8.377 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.031 4.578 9.509 1.00 1.00 O ATOM 1080 OE2 GLU A 69 9.840 5.646 7.831 1.00 1.00 O ATOM 0 H GLU A 69 9.798 0.479 7.361 1.00 1.00 H new ATOM 0 HA GLU A 69 7.240 1.246 6.079 1.00 1.00 H new ATOM 0 HB2 GLU A 69 7.791 3.641 6.417 1.00 1.00 H new ATOM 0 HB3 GLU A 69 7.496 2.828 7.941 1.00 1.00 H new ATOM 0 HG2 GLU A 69 10.003 2.526 8.224 1.00 1.00 H new ATOM 0 HG3 GLU A 69 10.254 3.431 6.745 1.00 1.00 H new ATOM 1087 N ALA A 70 8.484 1.736 3.961 1.00 1.00 N ATOM 1088 CA ALA A 70 9.200 1.772 2.669 1.00 1.00 C ATOM 1089 C ALA A 70 8.453 2.585 1.596 1.00 1.00 C ATOM 1090 O ALA A 70 7.235 2.581 1.525 1.00 1.00 O ATOM 1091 CB ALA A 70 9.328 0.328 2.190 1.00 1.00 C ATOM 0 H ALA A 70 7.470 1.813 3.879 1.00 1.00 H new ATOM 0 HA ALA A 70 10.166 2.254 2.818 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.853 0.307 1.235 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.888 -0.251 2.925 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.335 -0.104 2.068 1.00 1.00 H new ATOM 1097 N SER A 71 9.211 3.234 0.708 1.00 1.00 N ATOM 1098 CA SER A 71 8.616 4.001 -0.402 1.00 1.00 C ATOM 1099 C SER A 71 8.466 3.094 -1.627 1.00 1.00 C ATOM 1100 O SER A 71 9.431 2.455 -2.049 1.00 1.00 O ATOM 1101 CB SER A 71 9.502 5.197 -0.757 1.00 1.00 C ATOM 1102 OG SER A 71 10.767 4.731 -1.208 1.00 1.00 O ATOM 0 H SER A 71 10.231 3.247 0.731 1.00 1.00 H new ATOM 0 HA SER A 71 7.637 4.367 -0.093 1.00 1.00 H new ATOM 0 HB2 SER A 71 9.026 5.798 -1.532 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.629 5.841 0.113 1.00 1.00 H new ATOM 0 HG SER A 71 10.689 3.796 -1.492 1.00 1.00 H new ATOM 1108 N ILE A 72 7.249 3.045 -2.202 1.00 1.00 N ATOM 1109 CA ILE A 72 6.953 2.218 -3.394 1.00 1.00 C ATOM 1110 C ILE A 72 6.240 3.086 -4.430 1.00 1.00 C ATOM 1111 O ILE A 72 5.265 3.741 -4.107 1.00 1.00 O ATOM 1112 CB ILE A 72 6.032 1.022 -3.003 1.00 1.00 C ATOM 1113 CG1 ILE A 72 6.646 0.224 -1.786 1.00 1.00 C ATOM 1114 CG2 ILE A 72 5.859 0.082 -4.223 1.00 1.00 C ATOM 1115 CD1 ILE A 72 6.091 0.742 -0.436 1.00 1.00 C ATOM 0 H ILE A 72 6.447 3.573 -1.858 1.00 1.00 H new ATOM 0 HA ILE A 72 7.884 1.827 -3.804 1.00 1.00 H new ATOM 0 HB ILE A 72 5.058 1.409 -2.703 1.00 1.00 H new ATOM 0 HG12 ILE A 72 6.419 -0.837 -1.892 1.00 1.00 H new ATOM 0 HG13 ILE A 72 7.732 0.320 -1.796 1.00 1.00 H new ATOM 0 HG21 ILE A 72 5.215 -0.754 -3.950 1.00 1.00 H new ATOM 0 HG22 ILE A 72 5.407 0.634 -5.047 1.00 1.00 H new ATOM 0 HG23 ILE A 72 6.833 -0.296 -4.532 1.00 1.00 H new ATOM 0 HD11 ILE A 72 6.533 0.172 0.382 1.00 1.00 H new ATOM 0 HD12 ILE A 72 6.341 1.797 -0.320 1.00 1.00 H new ATOM 0 HD13 ILE A 72 5.008 0.622 -0.418 1.00 1.00 H new ATOM 1127 N LYS A 73 6.714 3.093 -5.672 1.00 1.00 N ATOM 1128 CA LYS A 73 6.089 3.905 -6.729 1.00 1.00 C ATOM 1129 C LYS A 73 4.863 3.186 -7.305 1.00 1.00 C ATOM 1130 O LYS A 73 4.871 1.963 -7.440 1.00 1.00 O ATOM 1131 CB LYS A 73 7.141 4.228 -7.825 1.00 1.00 C ATOM 1132 CG LYS A 73 7.302 3.054 -8.847 1.00 1.00 C ATOM 1133 CD LYS A 73 8.680 3.127 -9.581 1.00 1.00 C ATOM 1134 CE LYS A 73 9.798 2.467 -8.743 1.00 1.00 C ATOM 1135 NZ LYS A 73 11.087 2.545 -9.483 1.00 1.00 N ATOM 0 H LYS A 73 7.523 2.552 -5.977 1.00 1.00 H new ATOM 0 HA LYS A 73 5.738 4.847 -6.308 1.00 1.00 H new ATOM 0 HB2 LYS A 73 6.845 5.133 -8.356 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.103 4.434 -7.355 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.215 2.101 -8.326 1.00 1.00 H new ATOM 0 HG3 LYS A 73 6.495 3.092 -9.579 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.606 2.630 -10.548 1.00 1.00 H new ATOM 0 HD3 LYS A 73 8.936 4.168 -9.776 1.00 1.00 H new ATOM 0 HE2 LYS A 73 9.889 2.969 -7.780 1.00 1.00 H new ATOM 0 HE3 LYS A 73 9.547 1.426 -8.538 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 11.839 2.101 -8.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 10.996 2.047 -10.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 11.328 3.542 -9.657 1.00 1.00 H new ATOM 1149 N LEU A 74 3.807 3.937 -7.641 1.00 1.00 N ATOM 1150 CA LEU A 74 2.592 3.333 -8.194 1.00 1.00 C ATOM 1151 C LEU A 74 2.915 2.624 -9.514 1.00 1.00 C ATOM 1152 O LEU A 74 3.748 3.092 -10.290 1.00 1.00 O ATOM 1153 CB LEU A 74 1.542 4.445 -8.482 1.00 1.00 C ATOM 1154 CG LEU A 74 0.825 4.956 -7.198 1.00 1.00 C ATOM 1155 CD1 LEU A 74 -0.122 3.875 -6.596 1.00 1.00 C ATOM 1156 CD2 LEU A 74 1.856 5.414 -6.141 1.00 1.00 C ATOM 0 H LEU A 74 3.770 4.951 -7.541 1.00 1.00 H new ATOM 0 HA LEU A 74 2.198 2.617 -7.473 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.035 5.284 -8.973 1.00 1.00 H new ATOM 0 HB3 LEU A 74 0.797 4.061 -9.179 1.00 1.00 H new ATOM 0 HG LEU A 74 0.213 5.811 -7.487 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.603 4.270 -5.701 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.883 3.608 -7.330 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.457 2.989 -6.335 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.333 5.767 -5.252 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.500 4.576 -5.874 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.462 6.222 -6.550 1.00 1.00 H new ATOM 1168 N THR A 75 2.223 1.503 -9.763 1.00 1.00 N ATOM 1169 CA THR A 75 2.399 0.723 -11.002 1.00 1.00 C ATOM 1170 C THR A 75 1.042 0.332 -11.577 1.00 1.00 C ATOM 1171 O THR A 75 0.052 0.223 -10.853 1.00 1.00 O ATOM 1172 CB THR A 75 3.212 -0.554 -10.721 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.481 -1.386 -9.831 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.569 -0.204 -10.090 1.00 1.00 C ATOM 0 H THR A 75 1.533 1.113 -9.121 1.00 1.00 H new ATOM 0 HA THR A 75 2.935 1.343 -11.721 1.00 1.00 H new ATOM 0 HB THR A 75 3.388 -1.074 -11.663 1.00 1.00 H new ATOM 0 HG1 THR A 75 1.749 -0.872 -9.430 1.00 1.00 H new ATOM 0 HG21 THR A 75 5.128 -1.120 -9.899 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.134 0.431 -10.772 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.408 0.325 -9.151 1.00 1.00 H new ATOM 1182 N ALA A 76 1.020 0.101 -12.889 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.201 -0.312 -13.589 1.00 1.00 C ATOM 1184 C ALA A 76 -0.410 -1.809 -13.370 1.00 1.00 C ATOM 1185 O ALA A 76 0.474 -2.606 -13.687 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.039 -0.027 -15.089 1.00 1.00 C ATOM 0 H ALA A 76 1.837 0.193 -13.493 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.061 0.238 -13.207 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -0.943 -0.331 -15.617 1.00 1.00 H new ATOM 0 HB2 ALA A 76 0.128 1.039 -15.241 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.813 -0.586 -15.476 1.00 1.00 H new ATOM 1192 N ILE A 77 -1.569 -2.186 -12.805 1.00 1.00 N ATOM 1193 CA ILE A 77 -1.890 -3.603 -12.510 1.00 1.00 C ATOM 1194 C ILE A 77 -3.114 -4.075 -13.282 1.00 1.00 C ATOM 1195 O ILE A 77 -3.379 -5.275 -13.356 1.00 1.00 O ATOM 1196 CB ILE A 77 -2.101 -3.782 -10.980 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.442 -3.150 -10.476 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -0.918 -3.139 -10.236 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -3.579 -1.665 -10.859 1.00 1.00 C ATOM 0 H ILE A 77 -2.305 -1.531 -12.541 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.050 -4.219 -12.833 1.00 1.00 H new ATOM 0 HB ILE A 77 -2.156 -4.851 -10.776 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -4.281 -3.707 -10.893 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -3.501 -3.248 -9.392 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -1.056 -3.259 -9.161 1.00 1.00 H new ATOM 0 HG22 ILE A 77 0.010 -3.624 -10.539 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -0.869 -2.078 -10.479 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.527 -1.279 -10.484 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -2.757 -1.099 -10.420 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.550 -1.565 -11.944 1.00 1.00 H new ATOM 1211 N ASP A 78 -3.866 -3.123 -13.845 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.089 -3.424 -14.610 1.00 1.00 C ATOM 1213 C ASP A 78 -4.956 -2.917 -16.046 1.00 1.00 C ATOM 1214 O ASP A 78 -4.318 -1.899 -16.302 1.00 1.00 O ATOM 1215 CB ASP A 78 -6.286 -2.733 -13.937 1.00 1.00 C ATOM 1216 CG ASP A 78 -6.506 -3.298 -12.536 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -6.198 -4.457 -12.317 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -7.004 -2.574 -11.688 1.00 1.00 O ATOM 0 H ASP A 78 -3.649 -2.128 -13.786 1.00 1.00 H new ATOM 0 HA ASP A 78 -5.240 -4.503 -14.629 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -6.109 -1.659 -13.880 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.183 -2.877 -14.539 1.00 1.00 H new ATOM 1223 N LYS A 79 -5.552 -3.657 -16.975 1.00 1.00 N ATOM 1224 CA LYS A 79 -5.520 -3.325 -18.400 1.00 1.00 C ATOM 1225 C LYS A 79 -5.861 -1.850 -18.664 1.00 1.00 C ATOM 1226 O LYS A 79 -5.422 -1.277 -19.662 1.00 1.00 O ATOM 1227 CB LYS A 79 -6.534 -4.235 -19.127 1.00 1.00 C ATOM 1228 CG LYS A 79 -7.935 -4.068 -18.498 1.00 1.00 C ATOM 1229 CD LYS A 79 -8.929 -5.039 -19.150 1.00 1.00 C ATOM 1230 CE LYS A 79 -10.315 -4.864 -18.516 1.00 1.00 C ATOM 1231 NZ LYS A 79 -10.227 -5.120 -17.050 1.00 1.00 N ATOM 0 H LYS A 79 -6.073 -4.508 -16.763 1.00 1.00 H new ATOM 0 HA LYS A 79 -4.508 -3.486 -18.772 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -6.569 -3.982 -20.187 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.217 -5.276 -19.058 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -7.884 -4.254 -17.425 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -8.280 -3.042 -18.628 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.983 -4.853 -20.223 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -8.587 -6.066 -19.021 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -10.685 -3.855 -18.698 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -11.026 -5.552 -18.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -11.178 -5.304 -16.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -9.620 -5.947 -16.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -9.821 -4.288 -16.576 1.00 1.00 H new ATOM 1245 N LYS A 80 -6.644 -1.241 -17.768 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.043 0.174 -17.911 1.00 1.00 C ATOM 1247 C LYS A 80 -5.924 1.096 -17.414 1.00 1.00 C ATOM 1248 O LYS A 80 -5.905 2.287 -17.725 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.377 0.440 -17.140 1.00 1.00 C ATOM 1250 CG LYS A 80 -8.419 -0.361 -15.820 1.00 1.00 C ATOM 1251 CD LYS A 80 -9.676 0.015 -15.017 1.00 1.00 C ATOM 1252 CE LYS A 80 -9.758 -0.835 -13.740 1.00 1.00 C ATOM 1253 NZ LYS A 80 -9.877 -2.273 -14.114 1.00 1.00 N ATOM 0 H LYS A 80 -7.016 -1.699 -16.936 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.213 0.389 -18.966 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.473 1.505 -16.927 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.225 0.162 -17.766 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.420 -1.430 -16.033 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -7.526 -0.154 -15.231 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -9.649 1.073 -14.758 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -10.567 -0.142 -15.626 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -8.870 -0.679 -13.127 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -10.616 -0.531 -13.141 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -10.721 -2.680 -13.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -9.962 -2.357 -15.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -9.031 -2.786 -13.793 1.00 1.00 H new ATOM 1267 N GLY A 81 -4.985 0.531 -16.659 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.846 1.294 -16.133 1.00 1.00 C ATOM 1269 C GLY A 81 -4.212 2.063 -14.873 1.00 1.00 C ATOM 1270 O GLY A 81 -3.944 3.260 -14.769 1.00 1.00 O ATOM 0 H GLY A 81 -4.987 -0.454 -16.395 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.022 0.614 -15.917 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.493 1.990 -16.894 1.00 1.00 H new ATOM 1274 N THR A 82 -4.815 1.369 -13.906 1.00 1.00 N ATOM 1275 CA THR A 82 -5.203 2.000 -12.641 1.00 1.00 C ATOM 1276 C THR A 82 -3.983 2.078 -11.690 1.00 1.00 C ATOM 1277 O THR A 82 -3.463 1.037 -11.307 1.00 1.00 O ATOM 1278 CB THR A 82 -6.311 1.171 -11.961 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.484 1.261 -12.750 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.618 1.716 -10.539 1.00 1.00 C ATOM 0 H THR A 82 -5.044 0.377 -13.972 1.00 1.00 H new ATOM 0 HA THR A 82 -5.569 3.005 -12.851 1.00 1.00 H new ATOM 0 HB THR A 82 -5.978 0.137 -11.871 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.272 1.151 -12.178 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.403 1.114 -10.080 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.717 1.665 -9.927 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.950 2.752 -10.610 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.535 3.247 -11.258 1.00 1.00 N ATOM 1289 CA PRO A 83 -2.386 3.332 -10.290 1.00 1.00 C ATOM 1290 C PRO A 83 -2.637 2.460 -9.041 1.00 1.00 C ATOM 1291 O PRO A 83 -3.596 2.694 -8.305 1.00 1.00 O ATOM 1292 CB PRO A 83 -2.320 4.846 -9.920 1.00 1.00 C ATOM 1293 CG PRO A 83 -3.005 5.555 -11.065 1.00 1.00 C ATOM 1294 CD PRO A 83 -4.038 4.580 -11.636 1.00 1.00 C ATOM 0 HA PRO A 83 -1.453 2.963 -10.716 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.824 5.044 -8.974 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -1.289 5.181 -9.808 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -3.487 6.470 -10.720 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -2.283 5.843 -11.829 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -5.029 4.763 -11.220 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -4.123 4.680 -12.718 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.780 1.461 -8.807 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.951 0.588 -7.638 1.00 1.00 C ATOM 1304 C GLY A 84 -0.980 -0.587 -7.635 1.00 1.00 C ATOM 1305 O GLY A 84 -0.115 -0.703 -8.503 1.00 1.00 O ATOM 0 H GLY A 84 -0.978 1.238 -9.396 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -1.810 1.173 -6.729 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.973 0.210 -7.618 1.00 1.00 H new ATOM 1309 N ILE A 85 -1.171 -1.475 -6.644 1.00 1.00 N ATOM 1310 CA ILE A 85 -0.366 -2.704 -6.471 1.00 1.00 C ATOM 1311 C ILE A 85 -1.319 -3.903 -6.644 1.00 1.00 C ATOM 1312 O ILE A 85 -2.531 -3.711 -6.749 1.00 1.00 O ATOM 1313 CB ILE A 85 0.369 -2.725 -5.070 1.00 1.00 C ATOM 1314 CG1 ILE A 85 -0.333 -1.757 -4.036 1.00 1.00 C ATOM 1315 CG2 ILE A 85 1.874 -2.357 -5.238 1.00 1.00 C ATOM 1316 CD1 ILE A 85 0.151 -0.294 -4.166 1.00 1.00 C ATOM 0 H ILE A 85 -1.894 -1.362 -5.933 1.00 1.00 H new ATOM 0 HA ILE A 85 0.427 -2.749 -7.217 1.00 1.00 H new ATOM 0 HB ILE A 85 0.302 -3.737 -4.672 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -1.412 -1.793 -4.185 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -0.139 -2.111 -3.023 1.00 1.00 H new ATOM 0 HG21 ILE A 85 2.364 -2.376 -4.265 1.00 1.00 H new ATOM 0 HG22 ILE A 85 2.353 -3.078 -5.900 1.00 1.00 H new ATOM 0 HG23 ILE A 85 1.959 -1.359 -5.667 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -0.364 0.326 -3.432 1.00 1.00 H new ATOM 0 HD12 ILE A 85 1.226 -0.249 -3.989 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -0.067 0.074 -5.169 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.783 -5.131 -6.717 1.00 1.00 N ATOM 1329 CA GLY A 86 -1.618 -6.328 -6.930 1.00 1.00 C ATOM 1330 C GLY A 86 -2.075 -6.960 -5.621 1.00 1.00 C ATOM 1331 O GLY A 86 -2.028 -8.181 -5.468 1.00 1.00 O ATOM 0 H GLY A 86 0.215 -5.323 -6.633 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -2.491 -6.057 -7.523 1.00 1.00 H new ATOM 0 HA3 GLY A 86 -1.055 -7.062 -7.507 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.487 -6.116 -4.671 1.00 1.00 N ATOM 1336 CA ILE A 87 -2.926 -6.577 -3.340 1.00 1.00 C ATOM 1337 C ILE A 87 -4.414 -6.349 -3.168 1.00 1.00 C ATOM 1338 O ILE A 87 -5.064 -5.762 -4.034 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.141 -5.820 -2.237 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -2.426 -4.290 -2.288 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.639 -6.069 -2.454 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -1.772 -3.582 -1.092 1.00 1.00 C ATOM 0 H ILE A 87 -2.528 -5.104 -4.795 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.726 -7.645 -3.253 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.458 -6.187 -1.261 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -2.042 -3.873 -3.219 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.502 -4.114 -2.279 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.069 -5.544 -1.687 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.434 -7.138 -2.391 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.348 -5.702 -3.438 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -1.981 -2.513 -1.143 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.176 -3.987 -0.164 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -0.694 -3.743 -1.119 1.00 1.00 H new ATOM 1354 N THR A 88 -4.943 -6.802 -2.031 1.00 1.00 N ATOM 1355 CA THR A 88 -6.376 -6.637 -1.699 1.00 1.00 C ATOM 1356 C THR A 88 -6.521 -6.108 -0.267 1.00 1.00 C ATOM 1357 O THR A 88 -5.922 -6.646 0.664 1.00 1.00 O ATOM 1358 CB THR A 88 -7.098 -7.992 -1.854 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.037 -8.389 -3.216 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.577 -7.894 -1.418 1.00 1.00 C ATOM 0 H THR A 88 -4.405 -7.290 -1.315 1.00 1.00 H new ATOM 0 HA THR A 88 -6.829 -5.917 -2.380 1.00 1.00 H new ATOM 0 HB THR A 88 -6.604 -8.725 -1.216 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.491 -9.250 -3.326 1.00 1.00 H new ATOM 0 HG21 THR A 88 -9.057 -8.865 -1.539 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.629 -7.592 -0.372 1.00 1.00 H new ATOM 0 HG23 THR A 88 -9.090 -7.156 -2.035 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.324 -5.045 -0.107 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.571 -4.413 1.205 1.00 1.00 C ATOM 1370 C LEU A 89 -8.967 -4.798 1.717 1.00 1.00 C ATOM 1371 O LEU A 89 -9.902 -4.959 0.931 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.473 -2.881 1.051 1.00 1.00 C ATOM 1373 CG LEU A 89 -6.111 -2.474 0.427 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -6.088 -0.951 0.211 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -4.923 -2.895 1.340 1.00 1.00 C ATOM 0 H LEU A 89 -7.820 -4.598 -0.878 1.00 1.00 H new ATOM 0 HA LEU A 89 -6.827 -4.758 1.923 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -8.288 -2.522 0.422 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -7.588 -2.405 2.025 1.00 1.00 H new ATOM 0 HG LEU A 89 -6.000 -2.989 -0.527 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -5.133 -0.660 -0.227 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -6.897 -0.667 -0.461 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -6.217 -0.446 1.168 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -3.983 -2.596 0.875 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -5.019 -2.408 2.310 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -4.933 -3.977 1.475 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.076 -4.989 3.042 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.332 -5.417 3.704 1.00 1.00 C ATOM 1389 C VAL A 90 -11.011 -4.249 4.415 1.00 1.00 C ATOM 1390 O VAL A 90 -10.506 -3.127 4.414 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.067 -6.584 4.705 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -9.141 -7.618 4.043 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -9.419 -6.066 6.023 1.00 1.00 C ATOM 0 H VAL A 90 -8.300 -4.853 3.689 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.005 -5.777 2.926 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.022 -7.044 4.959 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -8.953 -8.436 4.739 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -9.616 -8.009 3.143 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -8.197 -7.143 3.777 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.248 -6.904 6.698 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.469 -5.583 5.796 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -10.087 -5.348 6.499 1.00 1.00 H new ATOM 1403 N ASP A 91 -12.172 -4.561 5.003 1.00 1.00 N ATOM 1404 CA ASP A 91 -13.011 -3.599 5.740 1.00 1.00 C ATOM 1405 C ASP A 91 -13.976 -2.923 4.773 1.00 1.00 C ATOM 1406 O ASP A 91 -15.056 -2.482 5.166 1.00 1.00 O ATOM 1407 CB ASP A 91 -12.156 -2.539 6.504 1.00 1.00 C ATOM 1408 CG ASP A 91 -12.924 -1.914 7.672 1.00 1.00 C ATOM 1409 OD1 ASP A 91 -13.627 -0.943 7.438 1.00 1.00 O ATOM 1410 OD2 ASP A 91 -12.731 -2.363 8.791 1.00 1.00 O ATOM 0 H ASP A 91 -12.564 -5.502 4.982 1.00 1.00 H new ATOM 0 HA ASP A 91 -13.576 -4.148 6.494 1.00 1.00 H new ATOM 0 HB2 ASP A 91 -11.247 -3.009 6.879 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -11.848 -1.755 5.812 1.00 1.00 H new ATOM 1415 N ASP A 92 -13.578 -2.838 3.501 1.00 1.00 N ATOM 1416 CA ASP A 92 -14.410 -2.210 2.479 1.00 1.00 C ATOM 1417 C ASP A 92 -15.805 -2.835 2.434 1.00 1.00 C ATOM 1418 O ASP A 92 -16.091 -3.801 3.141 1.00 1.00 O ATOM 1419 CB ASP A 92 -13.721 -2.359 1.107 1.00 1.00 C ATOM 1420 CG ASP A 92 -13.470 -3.837 0.785 1.00 1.00 C ATOM 1421 OD1 ASP A 92 -14.047 -4.681 1.451 1.00 1.00 O ATOM 1422 OD2 ASP A 92 -12.689 -4.092 -0.118 1.00 1.00 O ATOM 0 H ASP A 92 -12.687 -3.196 3.158 1.00 1.00 H new ATOM 0 HA ASP A 92 -14.528 -1.155 2.726 1.00 1.00 H new ATOM 0 HB2 ASP A 92 -14.344 -1.913 0.331 1.00 1.00 H new ATOM 0 HB3 ASP A 92 -12.776 -1.816 1.108 1.00 1.00 H new ATOM 1427 N LEU A 93 -16.659 -2.273 1.585 1.00 1.00 N ATOM 1428 CA LEU A 93 -18.025 -2.767 1.427 1.00 1.00 C ATOM 1429 C LEU A 93 -18.017 -4.158 0.790 1.00 1.00 C ATOM 1430 O LEU A 93 -18.789 -5.034 1.179 1.00 1.00 O ATOM 1431 CB LEU A 93 -18.834 -1.783 0.555 1.00 1.00 C ATOM 1432 CG LEU A 93 -18.699 -0.332 1.087 1.00 1.00 C ATOM 1433 CD1 LEU A 93 -19.517 0.612 0.187 1.00 1.00 C ATOM 1434 CD2 LEU A 93 -19.192 -0.220 2.557 1.00 1.00 C ATOM 0 H LEU A 93 -16.430 -1.474 0.994 1.00 1.00 H new ATOM 0 HA LEU A 93 -18.493 -2.842 2.409 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -18.483 -1.831 -0.476 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -19.884 -2.076 0.548 1.00 1.00 H new ATOM 0 HG LEU A 93 -17.646 -0.051 1.067 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -19.427 1.634 0.555 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -19.139 0.559 -0.834 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -20.565 0.312 0.202 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -19.084 0.809 2.900 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -20.240 -0.513 2.612 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -18.598 -0.878 3.191 1.00 1.00 H new ATOM 1446 N GLU A 94 -17.139 -4.349 -0.195 1.00 1.00 N ATOM 1447 CA GLU A 94 -17.033 -5.633 -0.890 1.00 1.00 C ATOM 1448 C GLU A 94 -16.531 -6.716 0.068 1.00 1.00 C ATOM 1449 O GLU A 94 -15.335 -6.804 0.345 1.00 1.00 O ATOM 1450 CB GLU A 94 -16.063 -5.500 -2.077 1.00 1.00 C ATOM 1451 CG GLU A 94 -16.619 -4.493 -3.098 1.00 1.00 C ATOM 1452 CD GLU A 94 -15.663 -4.326 -4.284 1.00 1.00 C ATOM 1453 OE1 GLU A 94 -14.640 -4.990 -4.308 1.00 1.00 O ATOM 1454 OE2 GLU A 94 -15.983 -3.533 -5.154 1.00 1.00 O ATOM 0 H GLU A 94 -16.493 -3.634 -0.529 1.00 1.00 H new ATOM 0 HA GLU A 94 -18.019 -5.918 -1.256 1.00 1.00 H new ATOM 0 HB2 GLU A 94 -15.086 -5.171 -1.724 1.00 1.00 H new ATOM 0 HB3 GLU A 94 -15.920 -6.471 -2.552 1.00 1.00 H new ATOM 0 HG2 GLU A 94 -17.591 -4.832 -3.455 1.00 1.00 H new ATOM 0 HG3 GLU A 94 -16.776 -3.529 -2.614 1.00 1.00 H new ATOM 1461 N HIS A 95 -17.456 -7.543 0.572 1.00 1.00 N ATOM 1462 CA HIS A 95 -17.113 -8.628 1.503 1.00 1.00 C ATOM 1463 C HIS A 95 -16.768 -9.908 0.736 1.00 1.00 C ATOM 1464 O HIS A 95 -16.136 -10.815 1.278 1.00 1.00 O ATOM 1465 CB HIS A 95 -18.302 -8.884 2.446 1.00 1.00 C ATOM 1466 CG HIS A 95 -19.532 -9.227 1.645 1.00 1.00 C ATOM 1467 ND1 HIS A 95 -20.488 -8.440 1.047 1.00 1.00 N flip ATOM 1468 CD2 HIS A 95 -19.899 -10.535 1.381 1.00 1.00 C flip ATOM 1469 CE1 HIS A 95 -21.434 -9.251 0.422 1.00 1.00 C flip ATOM 1470 NE2 HIS A 95 -21.029 -10.501 0.656 1.00 1.00 N flip ATOM 0 H HIS A 95 -18.450 -7.482 0.351 1.00 1.00 H new ATOM 0 HA HIS A 95 -16.240 -8.333 2.086 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -18.065 -9.699 3.130 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -18.490 -8.000 3.056 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -19.372 -11.422 1.700 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -22.306 -8.936 -0.132 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -21.519 -11.331 0.324 1.00 1.00 H new ATOM 1479 N HIS A 96 -17.190 -9.972 -0.528 1.00 1.00 N ATOM 1480 CA HIS A 96 -16.924 -11.144 -1.368 1.00 1.00 C ATOM 1481 C HIS A 96 -15.431 -11.247 -1.688 1.00 1.00 C ATOM 1482 O HIS A 96 -14.744 -10.234 -1.814 1.00 1.00 O ATOM 1483 CB HIS A 96 -17.739 -11.044 -2.669 1.00 1.00 C ATOM 1484 CG HIS A 96 -17.374 -9.787 -3.416 1.00 1.00 C ATOM 1485 ND1 HIS A 96 -16.138 -9.618 -4.019 1.00 1.00 N ATOM 1486 CD2 HIS A 96 -18.077 -8.633 -3.673 1.00 1.00 C ATOM 1487 CE1 HIS A 96 -16.132 -8.408 -4.603 1.00 1.00 C ATOM 1488 NE2 HIS A 96 -17.287 -7.764 -4.425 1.00 1.00 N ATOM 0 H HIS A 96 -17.715 -9.231 -0.992 1.00 1.00 H new ATOM 0 HA HIS A 96 -17.222 -12.041 -0.825 1.00 1.00 H new ATOM 0 HB2 HIS A 96 -17.548 -11.916 -3.294 1.00 1.00 H new ATOM 0 HB3 HIS A 96 -18.805 -11.043 -2.440 1.00 1.00 H new ATOM 0 HD2 HIS A 96 -19.085 -8.431 -3.343 1.00 1.00 H new ATOM 0 HE1 HIS A 96 -15.293 -8.005 -5.151 1.00 1.00 H new ATOM 0 HE2 HIS A 96 -17.538 -6.836 -4.766 1.00 1.00 H new ATOM 1497 N HIS A 97 -14.934 -12.482 -1.817 1.00 1.00 N ATOM 1498 CA HIS A 97 -13.516 -12.714 -2.124 1.00 1.00 C ATOM 1499 C HIS A 97 -13.309 -14.129 -2.672 1.00 1.00 C ATOM 1500 O HIS A 97 -12.175 -14.585 -2.821 1.00 1.00 O ATOM 1501 CB HIS A 97 -12.673 -12.508 -0.851 1.00 1.00 C ATOM 1502 CG HIS A 97 -11.202 -12.602 -1.174 1.00 1.00 C ATOM 1503 ND1 HIS A 97 -10.565 -11.668 -1.971 1.00 1.00 N ATOM 1504 CD2 HIS A 97 -10.236 -13.512 -0.814 1.00 1.00 C ATOM 1505 CE1 HIS A 97 -9.274 -12.028 -2.068 1.00 1.00 C ATOM 1506 NE2 HIS A 97 -9.018 -13.145 -1.382 1.00 1.00 N ATOM 0 H HIS A 97 -15.488 -13.332 -1.715 1.00 1.00 H new ATOM 0 HA HIS A 97 -13.198 -12.003 -2.886 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -12.894 -11.534 -0.414 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -12.937 -13.259 -0.107 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.397 -14.377 -0.188 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -8.533 -11.481 -2.632 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -8.123 -13.626 -1.293 1.00 1.00 H new ATOM 1515 N HIS A 98 -14.414 -14.815 -2.971 1.00 1.00 N ATOM 1516 CA HIS A 98 -14.354 -16.181 -3.507 1.00 1.00 C ATOM 1517 C HIS A 98 -13.513 -17.093 -2.604 1.00 1.00 C ATOM 1518 O HIS A 98 -12.302 -17.221 -2.792 1.00 1.00 O ATOM 1519 CB HIS A 98 -13.767 -16.155 -4.931 1.00 1.00 C ATOM 1520 CG HIS A 98 -13.789 -17.536 -5.539 1.00 1.00 C ATOM 1521 ND1 HIS A 98 -14.969 -18.166 -5.898 1.00 1.00 N ATOM 1522 CD2 HIS A 98 -12.783 -18.421 -5.849 1.00 1.00 C ATOM 1523 CE1 HIS A 98 -14.651 -19.373 -6.398 1.00 1.00 C ATOM 1524 NE2 HIS A 98 -13.333 -19.582 -6.393 1.00 1.00 N ATOM 0 H HIS A 98 -15.359 -14.451 -2.852 1.00 1.00 H new ATOM 0 HA HIS A 98 -15.367 -16.583 -3.540 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -14.340 -15.468 -5.554 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -12.744 -15.781 -4.902 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -11.729 -18.244 -5.695 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -15.375 -20.088 -6.760 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -12.835 -20.411 -6.717 1.00 1.00 H new ATOM 1533 N HIS A 99 -14.171 -17.720 -1.627 1.00 1.00 N ATOM 1534 CA HIS A 99 -13.494 -18.624 -0.690 1.00 1.00 C ATOM 1535 C HIS A 99 -12.309 -17.932 -0.012 1.00 1.00 C ATOM 1536 O HIS A 99 -12.029 -16.762 -0.267 1.00 1.00 O ATOM 1537 CB HIS A 99 -13.006 -19.883 -1.424 1.00 1.00 C ATOM 1538 CG HIS A 99 -14.171 -20.587 -2.067 1.00 1.00 C ATOM 1539 ND1 HIS A 99 -14.436 -20.488 -3.422 1.00 1.00 N ATOM 1540 CD2 HIS A 99 -15.142 -21.413 -1.549 1.00 1.00 C ATOM 1541 CE1 HIS A 99 -15.526 -21.235 -3.668 1.00 1.00 C ATOM 1542 NE2 HIS A 99 -16.001 -21.822 -2.567 1.00 1.00 N ATOM 0 H HIS A 99 -15.173 -17.619 -1.462 1.00 1.00 H new ATOM 0 HA HIS A 99 -14.213 -18.908 0.078 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -12.272 -19.611 -2.182 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -12.507 -20.553 -0.723 1.00 1.00 H new ATOM 0 HD2 HIS A 99 -15.226 -21.701 -0.511 1.00 1.00 H new ATOM 0 HE1 HIS A 99 -15.968 -21.348 -4.647 1.00 1.00 H new ATOM 0 HE2 HIS A 99 -16.813 -22.434 -2.488 1.00 1.00 H new ATOM 1551 N HIS A 100 -11.617 -18.673 0.854 1.00 1.00 N ATOM 1552 CA HIS A 100 -10.461 -18.137 1.571 1.00 1.00 C ATOM 1553 C HIS A 100 -9.364 -17.729 0.585 1.00 1.00 C ATOM 1554 O HIS A 100 -8.503 -16.956 0.974 1.00 1.00 O ATOM 1555 CB HIS A 100 -9.925 -19.199 2.551 1.00 1.00 C ATOM 1556 CG HIS A 100 -8.796 -18.634 3.376 1.00 1.00 C ATOM 1557 ND1 HIS A 100 -7.488 -18.614 2.919 1.00 1.00 N ATOM 1558 CD2 HIS A 100 -8.766 -18.067 4.627 1.00 1.00 C ATOM 1559 CE1 HIS A 100 -6.733 -18.054 3.877 1.00 1.00 C ATOM 1560 NE2 HIS A 100 -7.458 -17.701 4.942 1.00 1.00 N ATOM 1561 OXT HIS A 100 -9.404 -18.195 -0.541 1.00 1.00 O ATOM 0 H HIS A 100 -11.837 -19.644 1.075 1.00 1.00 H new ATOM 0 HA HIS A 100 -10.768 -17.253 2.130 1.00 1.00 H new ATOM 0 HB2 HIS A 100 -10.728 -19.537 3.206 1.00 1.00 H new ATOM 0 HB3 HIS A 100 -9.578 -20.071 1.997 1.00 1.00 H new ATOM 0 HD2 HIS A 100 -9.624 -17.926 5.268 1.00 1.00 H new ATOM 0 HE1 HIS A 100 -5.666 -17.906 3.796 1.00 1.00 H new ATOM 0 HE2 HIS A 100 -7.127 -17.259 5.800 1.00 1.00 H new TER 1570 HIS A 100