USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 92 GLN : amide:sc= 0.725 X(o=-0.033,f=0.36) USER MOD Set 1.2: A 97 HIS : no HE2:sc= -0.758 K(o=-0.033,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.145 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.02) USER MOD Single : A 12 SER OG : rot 9:sc= 0.935 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -168:sc= -2.61! (180deg=-2.91!) USER MOD Single : A 22 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 30 ASN : amide:sc= -0.759! K(o=-0.76!,f=-0.085) USER MOD Single : A 31 THR OG1 : rot 134:sc= -1.92! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.08) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0549) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 59 THR OG1 : rot 115:sc= 0.966 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.596 USER MOD Single : A 68 ASN : amide:sc= 1.14 K(o=1.1,f=-0.034) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 80:sc= 1.04 USER MOD Single : A 77 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= 0.627 (180deg=0.466) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc=-0.00272 (180deg=-0.0721) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.687 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 100 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.19) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.644 18.360 -13.514 1.00 0.00 N ATOM 2 CA MET A 1 20.813 18.485 -12.616 1.00 0.00 C ATOM 3 C MET A 1 21.247 17.102 -12.146 1.00 0.00 C ATOM 4 O MET A 1 20.503 16.136 -12.300 1.00 0.00 O ATOM 5 CB MET A 1 20.456 19.377 -11.419 1.00 0.00 C ATOM 6 CG MET A 1 21.644 19.754 -10.549 1.00 0.00 C ATOM 7 SD MET A 1 22.947 20.572 -11.484 1.00 0.00 S ATOM 8 CE MET A 1 24.159 20.859 -10.199 1.00 0.00 C ATOM 0 H1 MET A 1 19.905 18.675 -14.470 1.00 0.00 H new ATOM 0 H2 MET A 1 19.338 17.367 -13.549 1.00 0.00 H new ATOM 0 H3 MET A 1 18.866 18.950 -13.155 1.00 0.00 H new ATOM 0 HA MET A 1 21.640 18.946 -13.156 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.985 20.289 -11.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.718 18.863 -10.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.309 20.411 -9.746 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.046 18.856 -10.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.028 21.361 -10.624 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.723 21.485 -9.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.465 19.906 -9.768 1.00 0.00 H new ATOM 20 N MET A 2 22.454 17.007 -11.595 1.00 0.00 N ATOM 21 CA MET A 2 22.989 15.737 -11.112 1.00 0.00 C ATOM 22 C MET A 2 22.110 15.149 -10.010 1.00 0.00 C ATOM 23 O MET A 2 22.143 15.606 -8.868 1.00 0.00 O ATOM 24 CB MET A 2 24.420 15.912 -10.581 1.00 0.00 C ATOM 25 CG MET A 2 25.458 16.230 -11.650 1.00 0.00 C ATOM 26 SD MET A 2 25.177 17.816 -12.465 1.00 0.00 S ATOM 27 CE MET A 2 26.596 17.893 -13.558 1.00 0.00 C ATOM 0 H MET A 2 23.084 17.800 -11.471 1.00 0.00 H new ATOM 0 HA MET A 2 23.001 15.049 -11.958 1.00 0.00 H new ATOM 0 HB2 MET A 2 24.424 16.712 -9.840 1.00 0.00 H new ATOM 0 HB3 MET A 2 24.717 14.999 -10.065 1.00 0.00 H new ATOM 0 HG2 MET A 2 26.449 16.233 -11.196 1.00 0.00 H new ATOM 0 HG3 MET A 2 25.453 15.438 -12.399 1.00 0.00 H new ATOM 0 HE1 MET A 2 26.564 18.820 -14.131 1.00 0.00 H new ATOM 0 HE2 MET A 2 27.512 17.863 -12.968 1.00 0.00 H new ATOM 0 HE3 MET A 2 26.576 17.043 -14.240 1.00 0.00 H new ATOM 37 N PHE A 3 21.311 14.155 -10.364 1.00 0.00 N ATOM 38 CA PHE A 3 20.500 13.442 -9.389 1.00 0.00 C ATOM 39 C PHE A 3 21.085 12.063 -9.144 1.00 0.00 C ATOM 40 O PHE A 3 22.092 11.691 -9.744 1.00 0.00 O ATOM 41 CB PHE A 3 19.051 13.302 -9.872 1.00 0.00 C ATOM 42 CG PHE A 3 18.332 14.611 -10.059 1.00 0.00 C ATOM 43 CD1 PHE A 3 18.236 15.520 -9.018 1.00 0.00 C ATOM 44 CD2 PHE A 3 17.752 14.927 -11.276 1.00 0.00 C ATOM 45 CE1 PHE A 3 17.573 16.721 -9.190 1.00 0.00 C ATOM 46 CE2 PHE A 3 17.088 16.126 -11.453 1.00 0.00 C ATOM 47 CZ PHE A 3 16.999 17.024 -10.407 1.00 0.00 C ATOM 0 H PHE A 3 21.206 13.823 -11.323 1.00 0.00 H new ATOM 0 HA PHE A 3 20.502 14.016 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.046 12.760 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.498 12.696 -9.154 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.683 15.288 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.819 14.228 -12.097 1.00 0.00 H new ATOM 0 HE1 PHE A 3 17.505 17.422 -8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 3 16.640 16.360 -12.407 1.00 0.00 H new ATOM 0 HZ PHE A 3 16.481 17.962 -10.542 1.00 0.00 H new ATOM 57 N LEU A 4 20.446 11.302 -8.272 1.00 0.00 N ATOM 58 CA LEU A 4 20.847 9.927 -8.017 1.00 0.00 C ATOM 59 C LEU A 4 20.007 8.997 -8.892 1.00 0.00 C ATOM 60 O LEU A 4 19.483 9.424 -9.922 1.00 0.00 O ATOM 61 CB LEU A 4 20.664 9.574 -6.531 1.00 0.00 C ATOM 62 CG LEU A 4 21.613 10.277 -5.549 1.00 0.00 C ATOM 63 CD1 LEU A 4 21.240 11.741 -5.365 1.00 0.00 C ATOM 64 CD2 LEU A 4 21.614 9.557 -4.209 1.00 0.00 C ATOM 0 H LEU A 4 19.643 11.614 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 4 21.903 9.807 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.639 9.810 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 4 20.787 8.497 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 4 22.617 10.241 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.932 12.207 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 4 21.295 12.254 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.225 11.811 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 4 22.291 10.066 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.606 9.560 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.946 8.528 -4.349 1.00 0.00 H new ATOM 76 N ARG A 5 19.873 7.737 -8.492 1.00 0.00 N ATOM 77 CA ARG A 5 18.991 6.799 -9.188 1.00 0.00 C ATOM 78 C ARG A 5 17.540 7.008 -8.757 1.00 0.00 C ATOM 79 O ARG A 5 16.708 6.109 -8.861 1.00 0.00 O ATOM 80 CB ARG A 5 19.421 5.358 -8.909 1.00 0.00 C ATOM 81 CG ARG A 5 20.781 5.013 -9.490 1.00 0.00 C ATOM 82 CD ARG A 5 21.186 3.582 -9.171 1.00 0.00 C ATOM 83 NE ARG A 5 20.257 2.601 -9.735 1.00 0.00 N ATOM 84 CZ ARG A 5 20.644 1.511 -10.401 1.00 0.00 C ATOM 85 NH1 ARG A 5 21.933 1.304 -10.640 1.00 0.00 N ATOM 86 NH2 ARG A 5 19.742 0.638 -10.840 1.00 0.00 N ATOM 0 H ARG A 5 20.362 7.339 -7.690 1.00 0.00 H new ATOM 0 HA ARG A 5 19.066 6.986 -10.259 1.00 0.00 H new ATOM 0 HB2 ARG A 5 19.442 5.195 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 5 18.675 4.678 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 5 20.760 5.152 -10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 5 21.530 5.699 -9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 5 22.187 3.395 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 5 21.234 3.453 -8.090 1.00 0.00 H new ATOM 0 HE ARG A 5 19.257 2.760 -9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 5 22.627 1.978 -10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 5 22.230 0.471 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.750 0.800 -10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.042 -0.194 -11.349 1.00 0.00 H new ATOM 100 N LYS A 6 17.248 8.211 -8.284 1.00 0.00 N ATOM 101 CA LYS A 6 15.914 8.579 -7.842 1.00 0.00 C ATOM 102 C LYS A 6 15.623 10.012 -8.257 1.00 0.00 C ATOM 103 O LYS A 6 16.482 10.884 -8.126 1.00 0.00 O ATOM 104 CB LYS A 6 15.794 8.454 -6.317 1.00 0.00 C ATOM 105 CG LYS A 6 14.396 8.748 -5.788 1.00 0.00 C ATOM 106 CD LYS A 6 14.385 8.891 -4.273 1.00 0.00 C ATOM 107 CE LYS A 6 15.093 10.161 -3.824 1.00 0.00 C ATOM 108 NZ LYS A 6 14.379 11.390 -4.267 1.00 0.00 N ATOM 0 H LYS A 6 17.934 8.961 -8.196 1.00 0.00 H new ATOM 0 HA LYS A 6 15.194 7.904 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.081 7.445 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.502 9.138 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.020 9.665 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.719 7.946 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.355 8.902 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.869 8.025 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.177 10.163 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.108 10.169 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.839 12.227 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.410 11.454 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.389 11.349 -3.952 1.00 0.00 H new ATOM 122 N VAL A 7 14.421 10.250 -8.764 1.00 0.00 N ATOM 123 CA VAL A 7 14.008 11.591 -9.152 1.00 0.00 C ATOM 124 C VAL A 7 13.876 12.474 -7.914 1.00 0.00 C ATOM 125 O VAL A 7 13.680 11.966 -6.809 1.00 0.00 O ATOM 126 CB VAL A 7 12.673 11.556 -9.936 1.00 0.00 C ATOM 127 CG1 VAL A 7 12.319 12.927 -10.499 1.00 0.00 C ATOM 128 CG2 VAL A 7 12.746 10.526 -11.054 1.00 0.00 C ATOM 0 H VAL A 7 13.714 9.531 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 7 14.771 12.010 -9.808 1.00 0.00 H new ATOM 0 HB VAL A 7 11.884 11.270 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.376 12.865 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.220 13.641 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.107 13.257 -11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.801 10.511 -11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.554 10.788 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.935 9.540 -10.629 1.00 0.00 H new ATOM 138 N GLU A 8 14.007 13.784 -8.099 1.00 0.00 N ATOM 139 CA GLU A 8 13.942 14.732 -6.993 1.00 0.00 C ATOM 140 C GLU A 8 12.615 14.627 -6.236 1.00 0.00 C ATOM 141 O GLU A 8 12.589 14.677 -5.006 1.00 0.00 O ATOM 142 CB GLU A 8 14.195 16.160 -7.504 1.00 0.00 C ATOM 143 CG GLU A 8 13.472 16.518 -8.799 1.00 0.00 C ATOM 144 CD GLU A 8 12.047 16.985 -8.586 1.00 0.00 C ATOM 145 OE1 GLU A 8 11.846 17.969 -7.844 1.00 0.00 O ATOM 146 OE2 GLU A 8 11.126 16.393 -9.187 1.00 0.00 O ATOM 0 H GLU A 8 14.160 14.215 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 8 14.728 14.481 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.893 16.866 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.266 16.291 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.030 17.301 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.467 15.648 -9.455 1.00 0.00 H new ATOM 153 N GLY A 9 11.527 14.465 -6.968 1.00 0.00 N ATOM 154 CA GLY A 9 10.237 14.271 -6.340 1.00 0.00 C ATOM 155 C GLY A 9 9.243 13.596 -7.263 1.00 0.00 C ATOM 156 O GLY A 9 8.273 14.226 -7.679 1.00 0.00 O ATOM 0 H GLY A 9 11.512 14.464 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.361 13.669 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.840 15.236 -6.026 1.00 0.00 H new ATOM 160 N PRO A 10 9.471 12.313 -7.621 1.00 0.00 N ATOM 161 CA PRO A 10 8.556 11.540 -8.466 1.00 0.00 C ATOM 162 C PRO A 10 7.100 11.659 -8.024 1.00 0.00 C ATOM 163 O PRO A 10 6.714 11.194 -6.952 1.00 0.00 O ATOM 164 CB PRO A 10 9.046 10.088 -8.315 1.00 0.00 C ATOM 165 CG PRO A 10 10.093 10.118 -7.249 1.00 0.00 C ATOM 166 CD PRO A 10 10.644 11.510 -7.255 1.00 0.00 C ATOM 0 HA PRO A 10 8.568 11.900 -9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.226 9.426 -8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.455 9.714 -9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.668 9.870 -6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.876 9.387 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.042 11.793 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.454 11.623 -7.975 1.00 0.00 H new ATOM 174 N ARG A 11 6.302 12.294 -8.869 1.00 0.00 N ATOM 175 CA ARG A 11 4.884 12.475 -8.597 1.00 0.00 C ATOM 176 C ARG A 11 4.088 11.330 -9.210 1.00 0.00 C ATOM 177 O ARG A 11 2.863 11.258 -9.077 1.00 0.00 O ATOM 178 CB ARG A 11 4.383 13.835 -9.116 1.00 0.00 C ATOM 179 CG ARG A 11 4.712 14.124 -10.577 1.00 0.00 C ATOM 180 CD ARG A 11 6.110 14.710 -10.744 1.00 0.00 C ATOM 181 NE ARG A 11 6.256 16.004 -10.070 1.00 0.00 N ATOM 182 CZ ARG A 11 7.429 16.535 -9.704 1.00 0.00 C ATOM 183 NH1 ARG A 11 8.571 15.919 -10.007 1.00 0.00 N ATOM 184 NH2 ARG A 11 7.454 17.691 -9.048 1.00 0.00 N ATOM 0 H ARG A 11 6.614 12.695 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 11 4.737 12.466 -7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.302 13.882 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.813 14.624 -8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.634 13.203 -11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.977 14.819 -10.983 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.845 14.010 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.327 14.829 -11.806 1.00 0.00 H new ATOM 0 HE ARG A 11 5.409 16.534 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.555 15.038 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.462 16.329 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.581 18.170 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.346 18.099 -8.767 1.00 0.00 H new ATOM 198 N SER A 12 4.805 10.440 -9.879 1.00 0.00 N ATOM 199 CA SER A 12 4.228 9.233 -10.430 1.00 0.00 C ATOM 200 C SER A 12 5.203 8.083 -10.226 1.00 0.00 C ATOM 201 O SER A 12 6.410 8.235 -10.430 1.00 0.00 O ATOM 202 CB SER A 12 3.915 9.411 -11.917 1.00 0.00 C ATOM 203 OG SER A 12 3.108 8.351 -12.411 1.00 0.00 O ATOM 0 H SER A 12 5.805 10.539 -10.053 1.00 0.00 H new ATOM 0 HA SER A 12 3.291 9.015 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.403 10.361 -12.071 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.846 9.455 -12.483 1.00 0.00 H new ATOM 0 HG SER A 12 2.795 7.802 -11.662 1.00 0.00 H new ATOM 209 N VAL A 13 4.678 6.947 -9.811 1.00 0.00 N ATOM 210 CA VAL A 13 5.499 5.793 -9.495 1.00 0.00 C ATOM 211 C VAL A 13 5.371 4.721 -10.569 1.00 0.00 C ATOM 212 O VAL A 13 4.276 4.436 -11.056 1.00 0.00 O ATOM 213 CB VAL A 13 5.136 5.190 -8.118 1.00 0.00 C ATOM 214 CG1 VAL A 13 5.541 6.138 -6.994 1.00 0.00 C ATOM 215 CG2 VAL A 13 3.648 4.879 -8.035 1.00 0.00 C ATOM 0 H VAL A 13 3.677 6.797 -9.684 1.00 0.00 H new ATOM 0 HA VAL A 13 6.531 6.141 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 13 5.688 4.257 -8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.278 5.696 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.617 6.309 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.018 7.087 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.419 4.456 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.076 5.796 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.382 4.162 -8.812 1.00 0.00 H new ATOM 225 N THR A 14 6.500 4.150 -10.949 1.00 0.00 N ATOM 226 CA THR A 14 6.515 3.060 -11.905 1.00 0.00 C ATOM 227 C THR A 14 6.659 1.733 -11.172 1.00 0.00 C ATOM 228 O THR A 14 7.705 1.442 -10.593 1.00 0.00 O ATOM 229 CB THR A 14 7.660 3.215 -12.921 1.00 0.00 C ATOM 230 OG1 THR A 14 7.619 4.530 -13.496 1.00 0.00 O ATOM 231 CG2 THR A 14 7.547 2.167 -14.024 1.00 0.00 C ATOM 0 H THR A 14 7.421 4.425 -10.608 1.00 0.00 H new ATOM 0 HA THR A 14 5.572 3.082 -12.452 1.00 0.00 H new ATOM 0 HB THR A 14 8.608 3.071 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.350 4.628 -14.142 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.366 2.294 -14.732 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.598 1.170 -13.586 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.596 2.287 -14.544 1.00 0.00 H new ATOM 239 N LEU A 15 5.599 0.947 -11.172 1.00 0.00 N ATOM 240 CA LEU A 15 5.613 -0.348 -10.518 1.00 0.00 C ATOM 241 C LEU A 15 6.261 -1.388 -11.431 1.00 0.00 C ATOM 242 O LEU A 15 6.120 -1.314 -12.654 1.00 0.00 O ATOM 243 CB LEU A 15 4.185 -0.761 -10.149 1.00 0.00 C ATOM 244 CG LEU A 15 3.464 0.208 -9.206 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.043 -0.255 -8.944 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.224 0.348 -7.896 1.00 0.00 C ATOM 0 H LEU A 15 4.714 1.184 -11.620 1.00 0.00 H new ATOM 0 HA LEU A 15 6.201 -0.283 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.601 -0.859 -11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.215 -1.746 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 15 3.425 1.184 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.550 0.447 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.496 -0.302 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.061 -1.244 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.695 1.040 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.297 -0.626 -7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.225 0.730 -8.095 1.00 0.00 H new ATOM 258 N PRO A 16 6.965 -2.377 -10.847 1.00 0.00 N ATOM 259 CA PRO A 16 7.735 -3.384 -11.607 1.00 0.00 C ATOM 260 C PRO A 16 6.867 -4.265 -12.511 1.00 0.00 C ATOM 261 O PRO A 16 7.378 -5.098 -13.262 1.00 0.00 O ATOM 262 CB PRO A 16 8.396 -4.233 -10.514 1.00 0.00 C ATOM 263 CG PRO A 16 7.561 -4.012 -9.301 1.00 0.00 C ATOM 264 CD PRO A 16 7.077 -2.594 -9.394 1.00 0.00 C ATOM 0 HA PRO A 16 8.438 -2.905 -12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.419 -5.287 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.428 -3.926 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.724 -4.710 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.142 -4.169 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.119 -2.461 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.778 -1.897 -8.935 1.00 0.00 H new ATOM 272 N ASP A 17 5.560 -4.068 -12.444 1.00 0.00 N ATOM 273 CA ASP A 17 4.624 -4.810 -13.278 1.00 0.00 C ATOM 274 C ASP A 17 4.426 -4.091 -14.602 1.00 0.00 C ATOM 275 O ASP A 17 3.688 -4.556 -15.469 1.00 0.00 O ATOM 276 CB ASP A 17 3.270 -4.963 -12.577 1.00 0.00 C ATOM 277 CG ASP A 17 3.385 -5.583 -11.200 1.00 0.00 C ATOM 278 OD1 ASP A 17 3.673 -4.839 -10.242 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.182 -6.810 -11.068 1.00 0.00 O ATOM 0 H ASP A 17 5.119 -3.396 -11.816 1.00 0.00 H new ATOM 0 HA ASP A 17 5.041 -5.801 -13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.799 -3.984 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.615 -5.579 -13.193 1.00 0.00 H new ATOM 284 N GLY A 18 5.088 -2.949 -14.751 1.00 0.00 N ATOM 285 CA GLY A 18 4.924 -2.151 -15.946 1.00 0.00 C ATOM 286 C GLY A 18 3.697 -1.276 -15.850 1.00 0.00 C ATOM 287 O GLY A 18 2.966 -1.100 -16.824 1.00 0.00 O ATOM 0 H GLY A 18 5.735 -2.564 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.807 -1.530 -16.096 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.842 -2.804 -16.815 1.00 0.00 H new ATOM 291 N SER A 19 3.472 -0.729 -14.666 1.00 0.00 N ATOM 292 CA SER A 19 2.278 0.050 -14.400 1.00 0.00 C ATOM 293 C SER A 19 2.655 1.352 -13.704 1.00 0.00 C ATOM 294 O SER A 19 3.372 1.340 -12.703 1.00 0.00 O ATOM 295 CB SER A 19 1.324 -0.770 -13.523 1.00 0.00 C ATOM 296 OG SER A 19 0.004 -0.252 -13.553 1.00 0.00 O ATOM 0 H SER A 19 4.106 -0.812 -13.871 1.00 0.00 H new ATOM 0 HA SER A 19 1.780 0.291 -15.339 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.316 -1.805 -13.864 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.689 -0.776 -12.496 1.00 0.00 H new ATOM 0 HG SER A 19 -0.576 -0.801 -12.984 1.00 0.00 H new ATOM 302 N ILE A 20 2.187 2.469 -14.238 1.00 0.00 N ATOM 303 CA ILE A 20 2.504 3.772 -13.672 1.00 0.00 C ATOM 304 C ILE A 20 1.293 4.374 -12.970 1.00 0.00 C ATOM 305 O ILE A 20 0.208 4.476 -13.544 1.00 0.00 O ATOM 306 CB ILE A 20 3.039 4.758 -14.739 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.093 4.832 -15.943 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.439 4.351 -15.177 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.524 5.830 -16.997 1.00 0.00 C ATOM 0 H ILE A 20 1.587 2.500 -15.062 1.00 0.00 H new ATOM 0 HA ILE A 20 3.295 3.610 -12.940 1.00 0.00 H new ATOM 0 HB ILE A 20 3.089 5.751 -14.293 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.021 3.844 -16.399 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.095 5.095 -15.593 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.804 5.052 -15.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.107 4.361 -14.316 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.410 3.348 -15.602 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.806 5.826 -17.817 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.568 6.827 -16.558 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.509 5.557 -17.376 1.00 0.00 H new ATOM 321 N MET A 21 1.488 4.756 -11.721 1.00 0.00 N ATOM 322 CA MET A 21 0.427 5.345 -10.921 1.00 0.00 C ATOM 323 C MET A 21 0.839 6.734 -10.467 1.00 0.00 C ATOM 324 O MET A 21 2.012 6.982 -10.195 1.00 0.00 O ATOM 325 CB MET A 21 0.113 4.475 -9.701 1.00 0.00 C ATOM 326 CG MET A 21 -0.506 3.131 -10.042 1.00 0.00 C ATOM 327 SD MET A 21 -0.831 2.125 -8.577 1.00 0.00 S ATOM 328 CE MET A 21 -1.932 3.204 -7.665 1.00 0.00 C ATOM 0 H MET A 21 2.380 4.668 -11.234 1.00 0.00 H new ATOM 0 HA MET A 21 -0.471 5.411 -11.536 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.033 4.308 -9.141 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.566 5.020 -9.044 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.439 3.291 -10.583 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.161 2.587 -10.711 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.053 2.826 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.511 4.209 -7.630 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.903 3.235 -8.159 1.00 0.00 H new ATOM 338 N THR A 22 -0.112 7.644 -10.410 1.00 0.00 N ATOM 339 CA THR A 22 0.164 8.997 -9.966 1.00 0.00 C ATOM 340 C THR A 22 -0.288 9.183 -8.524 1.00 0.00 C ATOM 341 O THR A 22 -0.856 8.273 -7.917 1.00 0.00 O ATOM 342 CB THR A 22 -0.529 10.040 -10.866 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.951 9.842 -10.854 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.012 9.950 -12.294 1.00 0.00 C ATOM 0 H THR A 22 -1.084 7.472 -10.666 1.00 0.00 H new ATOM 0 HA THR A 22 1.241 9.151 -10.032 1.00 0.00 H new ATOM 0 HB THR A 22 -0.301 11.031 -10.473 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.169 9.009 -11.322 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.515 10.695 -12.911 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.062 10.135 -12.304 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.212 8.955 -12.691 1.00 0.00 H new ATOM 352 N ARG A 23 -0.052 10.369 -7.979 1.00 0.00 N ATOM 353 CA ARG A 23 -0.419 10.664 -6.599 1.00 0.00 C ATOM 354 C ARG A 23 -1.938 10.845 -6.464 1.00 0.00 C ATOM 355 O ARG A 23 -2.456 11.057 -5.368 1.00 0.00 O ATOM 356 CB ARG A 23 0.319 11.918 -6.120 1.00 0.00 C ATOM 357 CG ARG A 23 0.360 12.065 -4.608 1.00 0.00 C ATOM 358 CD ARG A 23 1.177 13.275 -4.182 1.00 0.00 C ATOM 359 NE ARG A 23 0.507 14.534 -4.498 1.00 0.00 N ATOM 360 CZ ARG A 23 1.014 15.470 -5.303 1.00 0.00 C ATOM 361 NH1 ARG A 23 2.194 15.289 -5.883 1.00 0.00 N ATOM 362 NH2 ARG A 23 0.342 16.588 -5.522 1.00 0.00 N ATOM 0 H ARG A 23 0.392 11.144 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.126 9.822 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.340 11.895 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.162 12.797 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.656 12.158 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.786 11.164 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.365 13.225 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.148 13.248 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.406 14.709 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.719 14.431 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.576 16.008 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.563 16.735 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.729 17.304 -6.137 1.00 0.00 H new ATOM 376 N ALA A 24 -2.646 10.749 -7.587 1.00 0.00 N ATOM 377 CA ALA A 24 -4.096 10.884 -7.592 1.00 0.00 C ATOM 378 C ALA A 24 -4.774 9.540 -7.850 1.00 0.00 C ATOM 379 O ALA A 24 -6.001 9.448 -7.888 1.00 0.00 O ATOM 380 CB ALA A 24 -4.527 11.906 -8.634 1.00 0.00 C ATOM 0 H ALA A 24 -2.236 10.578 -8.505 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.407 11.233 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.613 11.997 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.080 12.873 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.197 11.581 -9.621 1.00 0.00 H new ATOM 386 N ASP A 25 -3.972 8.491 -8.015 1.00 0.00 N ATOM 387 CA ASP A 25 -4.504 7.161 -8.317 1.00 0.00 C ATOM 388 C ASP A 25 -4.845 6.395 -7.047 1.00 0.00 C ATOM 389 O ASP A 25 -5.299 5.249 -7.104 1.00 0.00 O ATOM 390 CB ASP A 25 -3.518 6.346 -9.156 1.00 0.00 C ATOM 391 CG ASP A 25 -3.573 6.701 -10.625 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.559 6.328 -11.293 1.00 0.00 O ATOM 393 OD2 ASP A 25 -2.625 7.340 -11.121 1.00 0.00 O ATOM 0 H ASP A 25 -2.955 8.534 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.418 7.310 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.507 6.511 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.734 5.284 -9.034 1.00 0.00 H new ATOM 398 N LEU A 26 -4.626 7.023 -5.903 1.00 0.00 N ATOM 399 CA LEU A 26 -4.949 6.407 -4.626 1.00 0.00 C ATOM 400 C LEU A 26 -6.420 6.615 -4.307 1.00 0.00 C ATOM 401 O LEU A 26 -6.943 7.712 -4.486 1.00 0.00 O ATOM 402 CB LEU A 26 -4.090 6.997 -3.504 1.00 0.00 C ATOM 403 CG LEU A 26 -2.579 6.854 -3.688 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.845 7.428 -2.489 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.199 5.394 -3.898 1.00 0.00 C ATOM 0 H LEU A 26 -4.226 7.959 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.740 5.340 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.328 8.056 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.371 6.519 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.285 7.414 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.770 7.319 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.092 8.484 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.146 6.893 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.120 5.314 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.505 4.810 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.700 5.012 -4.787 1.00 0.00 H new ATOM 417 N PRO A 27 -7.111 5.551 -3.868 1.00 0.00 N ATOM 418 CA PRO A 27 -8.509 5.634 -3.421 1.00 0.00 C ATOM 419 C PRO A 27 -8.717 6.736 -2.382 1.00 0.00 C ATOM 420 O PRO A 27 -8.220 6.640 -1.262 1.00 0.00 O ATOM 421 CB PRO A 27 -8.750 4.258 -2.807 1.00 0.00 C ATOM 422 CG PRO A 27 -7.836 3.363 -3.561 1.00 0.00 C ATOM 423 CD PRO A 27 -6.592 4.175 -3.784 1.00 0.00 C ATOM 0 HA PRO A 27 -9.194 5.881 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.525 4.252 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.790 3.949 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.619 2.455 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.279 3.053 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.882 4.060 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.076 3.881 -4.698 1.00 0.00 H new ATOM 431 N PRO A 28 -9.444 7.803 -2.755 1.00 0.00 N ATOM 432 CA PRO A 28 -9.656 8.970 -1.889 1.00 0.00 C ATOM 433 C PRO A 28 -10.374 8.619 -0.594 1.00 0.00 C ATOM 434 O PRO A 28 -9.948 9.014 0.492 1.00 0.00 O ATOM 435 CB PRO A 28 -10.533 9.897 -2.741 1.00 0.00 C ATOM 436 CG PRO A 28 -10.322 9.445 -4.143 1.00 0.00 C ATOM 437 CD PRO A 28 -10.101 7.962 -4.061 1.00 0.00 C ATOM 0 HA PRO A 28 -8.710 9.413 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.582 9.820 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.244 10.940 -2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.187 9.679 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.463 9.945 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.039 7.410 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.474 7.601 -4.876 1.00 0.00 H new ATOM 445 N ALA A 29 -11.467 7.879 -0.727 1.00 0.00 N ATOM 446 CA ALA A 29 -12.290 7.488 0.409 1.00 0.00 C ATOM 447 C ALA A 29 -13.350 6.503 -0.038 1.00 0.00 C ATOM 448 O ALA A 29 -13.429 5.372 0.444 1.00 0.00 O ATOM 449 CB ALA A 29 -12.967 8.696 1.033 1.00 0.00 C ATOM 0 H ALA A 29 -11.807 7.534 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.641 7.025 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.575 8.376 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.210 9.400 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.603 9.180 0.292 1.00 0.00 H new ATOM 455 N ASN A 30 -14.166 6.951 -0.982 1.00 0.00 N ATOM 456 CA ASN A 30 -15.265 6.150 -1.485 1.00 0.00 C ATOM 457 C ASN A 30 -14.751 5.205 -2.557 1.00 0.00 C ATOM 458 O ASN A 30 -15.068 4.018 -2.543 1.00 0.00 O ATOM 459 CB ASN A 30 -16.363 7.050 -2.064 1.00 0.00 C ATOM 460 CG ASN A 30 -17.717 6.365 -2.144 1.00 0.00 C ATOM 461 OD1 ASN A 30 -18.756 7.023 -2.102 1.00 0.00 O ATOM 462 ND2 ASN A 30 -17.720 5.046 -2.237 1.00 0.00 N ATOM 0 H ASN A 30 -14.084 7.871 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.689 5.573 -0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.452 7.946 -1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.068 7.376 -3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.604 4.540 -2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.838 4.535 -2.269 1.00 0.00 H new ATOM 469 N THR A 31 -13.947 5.750 -3.468 1.00 0.00 N ATOM 470 CA THR A 31 -13.388 4.988 -4.581 1.00 0.00 C ATOM 471 C THR A 31 -14.474 4.610 -5.586 1.00 0.00 C ATOM 472 O THR A 31 -15.449 3.936 -5.248 1.00 0.00 O ATOM 473 CB THR A 31 -12.652 3.730 -4.083 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.690 4.109 -3.095 1.00 0.00 O ATOM 475 CG2 THR A 31 -11.953 3.010 -5.225 1.00 0.00 C ATOM 0 H THR A 31 -13.666 6.730 -3.455 1.00 0.00 H new ATOM 0 HA THR A 31 -12.662 5.627 -5.085 1.00 0.00 H new ATOM 0 HB THR A 31 -13.386 3.048 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.753 3.503 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.443 2.127 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.689 2.708 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.225 3.678 -5.685 1.00 0.00 H new ATOM 483 N ARG A 32 -14.296 5.055 -6.825 1.00 0.00 N ATOM 484 CA ARG A 32 -15.291 4.859 -7.870 1.00 0.00 C ATOM 485 C ARG A 32 -15.630 3.380 -8.055 1.00 0.00 C ATOM 486 O ARG A 32 -16.782 3.028 -8.311 1.00 0.00 O ATOM 487 CB ARG A 32 -14.801 5.488 -9.177 1.00 0.00 C ATOM 488 CG ARG A 32 -15.698 5.215 -10.373 1.00 0.00 C ATOM 489 CD ARG A 32 -15.565 6.299 -11.434 1.00 0.00 C ATOM 490 NE ARG A 32 -14.176 6.710 -11.659 1.00 0.00 N ATOM 491 CZ ARG A 32 -13.606 6.784 -12.862 1.00 0.00 C ATOM 492 NH1 ARG A 32 -14.249 6.331 -13.932 1.00 0.00 N ATOM 493 NH2 ARG A 32 -12.385 7.288 -12.989 1.00 0.00 N ATOM 0 H ARG A 32 -13.463 5.558 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.212 5.357 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.716 6.566 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.800 5.114 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.443 4.248 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.735 5.153 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.988 5.937 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.152 7.167 -11.134 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.611 6.954 -10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.180 5.926 -13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.812 6.388 -14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.882 7.619 -12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.950 7.344 -13.910 1.00 0.00 H new ATOM 507 N ARG A 33 -14.628 2.518 -7.911 1.00 0.00 N ATOM 508 CA ARG A 33 -14.853 1.080 -7.940 1.00 0.00 C ATOM 509 C ARG A 33 -13.726 0.340 -7.224 1.00 0.00 C ATOM 510 O ARG A 33 -12.566 0.401 -7.633 1.00 0.00 O ATOM 511 CB ARG A 33 -15.004 0.571 -9.381 1.00 0.00 C ATOM 512 CG ARG A 33 -13.848 0.932 -10.306 1.00 0.00 C ATOM 513 CD ARG A 33 -14.040 0.329 -11.690 1.00 0.00 C ATOM 514 NE ARG A 33 -15.252 0.829 -12.345 1.00 0.00 N ATOM 515 CZ ARG A 33 -16.148 0.049 -12.953 1.00 0.00 C ATOM 516 NH1 ARG A 33 -15.969 -1.267 -12.993 1.00 0.00 N ATOM 517 NH2 ARG A 33 -17.221 0.585 -13.523 1.00 0.00 N ATOM 0 H ARG A 33 -13.655 2.791 -7.773 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.785 0.879 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.110 -0.514 -9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.926 0.973 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.769 2.016 -10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.911 0.575 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.173 0.559 -12.309 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.094 -0.757 -11.608 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.421 1.835 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.145 -1.683 -12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.655 -1.861 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.362 1.595 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.904 -0.013 -13.987 1.00 0.00 H new ATOM 531 N TRP A 34 -14.067 -0.326 -6.127 1.00 0.00 N ATOM 532 CA TRP A 34 -13.105 -1.154 -5.411 1.00 0.00 C ATOM 533 C TRP A 34 -12.922 -2.492 -6.112 1.00 0.00 C ATOM 534 O TRP A 34 -13.870 -3.274 -6.236 1.00 0.00 O ATOM 535 CB TRP A 34 -13.556 -1.432 -3.972 1.00 0.00 C ATOM 536 CG TRP A 34 -13.436 -0.272 -3.033 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.446 0.521 -2.574 1.00 0.00 C ATOM 538 CD2 TRP A 34 -12.233 0.208 -2.418 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.948 1.465 -1.711 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.592 1.295 -1.603 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.890 -0.174 -2.480 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.657 2.003 -0.854 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.964 0.530 -1.735 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.353 1.608 -0.934 1.00 0.00 C ATOM 0 H TRP A 34 -15.000 -0.309 -5.715 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.167 -0.600 -5.396 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.596 -1.758 -3.990 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.969 -2.261 -3.577 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.486 0.421 -2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.497 2.177 -1.229 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.582 -1.004 -3.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.952 2.835 -0.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.923 0.243 -1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.605 2.140 -0.366 1.00 0.00 H new ATOM 555 N VAL A 35 -11.717 -2.746 -6.585 1.00 0.00 N ATOM 556 CA VAL A 35 -11.351 -4.076 -7.048 1.00 0.00 C ATOM 557 C VAL A 35 -10.177 -4.582 -6.218 1.00 0.00 C ATOM 558 O VAL A 35 -9.636 -3.838 -5.395 1.00 0.00 O ATOM 559 CB VAL A 35 -11.000 -4.109 -8.557 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.200 -3.699 -9.399 1.00 0.00 C ATOM 561 CG2 VAL A 35 -9.804 -3.226 -8.869 1.00 0.00 C ATOM 0 H VAL A 35 -10.974 -2.052 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.216 -4.727 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.732 -5.135 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.931 -3.729 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.026 -4.387 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.504 -2.687 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.586 -3.273 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.029 -2.197 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.938 -3.574 -8.306 1.00 0.00 H new ATOM 571 N ALA A 36 -9.785 -5.832 -6.415 1.00 0.00 N ATOM 572 CA ALA A 36 -8.695 -6.412 -5.635 1.00 0.00 C ATOM 573 C ALA A 36 -7.390 -5.671 -5.900 1.00 0.00 C ATOM 574 O ALA A 36 -6.640 -5.362 -4.974 1.00 0.00 O ATOM 575 CB ALA A 36 -8.544 -7.892 -5.951 1.00 0.00 C ATOM 0 H ALA A 36 -10.200 -6.462 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.937 -6.308 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.727 -8.309 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.470 -8.412 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.326 -8.017 -7.012 1.00 0.00 H new ATOM 581 N SER A 37 -7.149 -5.358 -7.166 1.00 0.00 N ATOM 582 CA SER A 37 -5.957 -4.624 -7.563 1.00 0.00 C ATOM 583 C SER A 37 -6.003 -3.201 -7.004 1.00 0.00 C ATOM 584 O SER A 37 -4.971 -2.574 -6.795 1.00 0.00 O ATOM 585 CB SER A 37 -5.845 -4.598 -9.091 1.00 0.00 C ATOM 586 OG SER A 37 -4.582 -4.113 -9.516 1.00 0.00 O ATOM 0 H SER A 37 -7.768 -5.603 -7.939 1.00 0.00 H new ATOM 0 HA SER A 37 -5.078 -5.125 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.000 -5.603 -9.484 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.634 -3.969 -9.503 1.00 0.00 H new ATOM 0 HG SER A 37 -4.545 -4.111 -10.495 1.00 0.00 H new ATOM 592 N ARG A 38 -7.209 -2.714 -6.731 1.00 0.00 N ATOM 593 CA ARG A 38 -7.398 -1.368 -6.211 1.00 0.00 C ATOM 594 C ARG A 38 -6.951 -1.300 -4.756 1.00 0.00 C ATOM 595 O ARG A 38 -6.328 -0.328 -4.339 1.00 0.00 O ATOM 596 CB ARG A 38 -8.867 -0.960 -6.352 1.00 0.00 C ATOM 597 CG ARG A 38 -9.194 0.439 -5.862 1.00 0.00 C ATOM 598 CD ARG A 38 -8.369 1.503 -6.565 1.00 0.00 C ATOM 599 NE ARG A 38 -8.482 1.441 -8.025 1.00 0.00 N ATOM 600 CZ ARG A 38 -7.858 2.277 -8.860 1.00 0.00 C ATOM 601 NH1 ARG A 38 -7.098 3.262 -8.390 1.00 0.00 N ATOM 602 NH2 ARG A 38 -8.000 2.131 -10.171 1.00 0.00 N ATOM 0 H ARG A 38 -8.075 -3.237 -6.863 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.789 -0.670 -6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.151 -1.037 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.481 -1.674 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.253 0.639 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.017 0.496 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.688 2.488 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.323 1.390 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.074 0.715 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.987 3.385 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.626 3.895 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.585 1.381 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.524 2.768 -10.810 1.00 0.00 H new ATOM 616 N LYS A 39 -7.274 -2.339 -3.992 1.00 0.00 N ATOM 617 CA LYS A 39 -6.811 -2.446 -2.613 1.00 0.00 C ATOM 618 C LYS A 39 -5.289 -2.609 -2.570 1.00 0.00 C ATOM 619 O LYS A 39 -4.595 -1.945 -1.789 1.00 0.00 O ATOM 620 CB LYS A 39 -7.491 -3.625 -1.914 1.00 0.00 C ATOM 621 CG LYS A 39 -8.999 -3.469 -1.778 1.00 0.00 C ATOM 622 CD LYS A 39 -9.607 -4.616 -0.989 1.00 0.00 C ATOM 623 CE LYS A 39 -11.055 -4.336 -0.616 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.606 -5.387 0.283 1.00 0.00 N ATOM 0 H LYS A 39 -7.854 -3.118 -4.304 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.076 -1.529 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.278 -4.538 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.056 -3.748 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.225 -2.525 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.452 -3.426 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.553 -5.532 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.024 -4.785 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.123 -3.365 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.659 -4.278 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.537 -5.088 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.706 -6.278 -0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.960 -5.531 1.085 1.00 0.00 H new ATOM 638 N ILE A 40 -4.776 -3.481 -3.433 1.00 0.00 N ATOM 639 CA ILE A 40 -3.338 -3.685 -3.559 1.00 0.00 C ATOM 640 C ILE A 40 -2.652 -2.379 -3.965 1.00 0.00 C ATOM 641 O ILE A 40 -1.541 -2.082 -3.524 1.00 0.00 O ATOM 642 CB ILE A 40 -3.018 -4.787 -4.595 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.675 -6.107 -4.183 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.515 -4.973 -4.739 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.499 -7.220 -5.195 1.00 0.00 C ATOM 0 H ILE A 40 -5.338 -4.059 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.960 -4.006 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.420 -4.477 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.258 -6.427 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.740 -5.938 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.314 -5.753 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.063 -4.038 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.090 -5.261 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.991 -8.122 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.942 -6.921 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.437 -7.418 -5.337 1.00 0.00 H new ATOM 657 N ALA A 41 -3.334 -1.599 -4.795 1.00 0.00 N ATOM 658 CA ALA A 41 -2.825 -0.304 -5.233 1.00 0.00 C ATOM 659 C ALA A 41 -2.675 0.658 -4.060 1.00 0.00 C ATOM 660 O ALA A 41 -1.796 1.517 -4.066 1.00 0.00 O ATOM 661 CB ALA A 41 -3.732 0.300 -6.299 1.00 0.00 C ATOM 0 H ALA A 41 -4.246 -1.842 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.838 -0.467 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.334 1.265 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.778 -0.369 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.733 0.436 -5.890 1.00 0.00 H new ATOM 667 N VAL A 42 -3.529 0.510 -3.048 1.00 0.00 N ATOM 668 CA VAL A 42 -3.451 1.358 -1.866 1.00 0.00 C ATOM 669 C VAL A 42 -2.155 1.083 -1.115 1.00 0.00 C ATOM 670 O VAL A 42 -1.367 1.996 -0.873 1.00 0.00 O ATOM 671 CB VAL A 42 -4.641 1.151 -0.901 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.630 2.209 0.192 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.963 1.177 -1.645 1.00 0.00 C ATOM 0 H VAL A 42 -4.276 -0.184 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.483 2.389 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.531 0.169 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.474 2.048 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.700 2.139 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.708 3.198 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.781 1.029 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.082 2.140 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.977 0.381 -2.389 1.00 0.00 H new ATOM 683 N VAL A 43 -1.928 -0.182 -0.763 1.00 0.00 N ATOM 684 CA VAL A 43 -0.707 -0.558 -0.048 1.00 0.00 C ATOM 685 C VAL A 43 0.540 -0.287 -0.887 1.00 0.00 C ATOM 686 O VAL A 43 1.578 0.106 -0.354 1.00 0.00 O ATOM 687 CB VAL A 43 -0.706 -2.032 0.421 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.139 -2.122 1.873 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.612 -2.893 -0.445 1.00 0.00 C ATOM 0 H VAL A 43 -2.564 -0.956 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.687 0.071 0.842 1.00 0.00 H new ATOM 0 HB VAL A 43 0.312 -2.410 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.134 -3.165 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.450 -1.550 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.145 -1.716 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.587 -3.922 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.633 -2.515 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.266 -2.860 -1.478 1.00 0.00 H new ATOM 699 N ARG A 44 0.436 -0.481 -2.197 1.00 0.00 N ATOM 700 CA ARG A 44 1.549 -0.192 -3.098 1.00 0.00 C ATOM 701 C ARG A 44 1.844 1.300 -3.143 1.00 0.00 C ATOM 702 O ARG A 44 2.992 1.721 -2.996 1.00 0.00 O ATOM 703 CB ARG A 44 1.252 -0.691 -4.514 1.00 0.00 C ATOM 704 CG ARG A 44 1.370 -2.196 -4.681 1.00 0.00 C ATOM 705 CD ARG A 44 1.085 -2.607 -6.116 1.00 0.00 C ATOM 706 NE ARG A 44 1.452 -3.999 -6.381 1.00 0.00 N ATOM 707 CZ ARG A 44 2.060 -4.399 -7.498 1.00 0.00 C ATOM 708 NH1 ARG A 44 2.345 -3.522 -8.452 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.377 -5.672 -7.675 1.00 0.00 N ATOM 0 H ARG A 44 -0.402 -0.835 -2.658 1.00 0.00 H new ATOM 0 HA ARG A 44 2.423 -0.716 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.244 -0.384 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.936 -0.205 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.372 -2.520 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.672 -2.696 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.025 -2.467 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.634 -1.954 -6.794 1.00 0.00 H new ATOM 0 HE ARG A 44 1.231 -4.700 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.099 -2.539 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.810 -3.830 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.156 -6.358 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.842 -5.967 -8.534 1.00 0.00 H new ATOM 723 N GLY A 45 0.799 2.092 -3.335 1.00 0.00 N ATOM 724 CA GLY A 45 0.961 3.521 -3.513 1.00 0.00 C ATOM 725 C GLY A 45 1.459 4.233 -2.271 1.00 0.00 C ATOM 726 O GLY A 45 2.140 5.252 -2.367 1.00 0.00 O ATOM 0 H GLY A 45 -0.167 1.767 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.660 3.700 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.005 3.953 -3.811 1.00 0.00 H new ATOM 730 N VAL A 46 1.119 3.717 -1.099 1.00 0.00 N ATOM 731 CA VAL A 46 1.563 4.343 0.135 1.00 0.00 C ATOM 732 C VAL A 46 2.969 3.879 0.518 1.00 0.00 C ATOM 733 O VAL A 46 3.883 4.694 0.603 1.00 0.00 O ATOM 734 CB VAL A 46 0.568 4.126 1.308 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.761 4.804 1.006 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.344 2.650 1.609 1.00 0.00 C ATOM 0 H VAL A 46 0.547 2.881 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 46 1.596 5.415 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 46 1.013 4.577 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.448 4.644 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.601 5.873 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.187 4.381 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.359 2.550 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.062 2.156 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.292 2.186 1.880 1.00 0.00 H new ATOM 746 N ILE A 47 3.144 2.569 0.679 1.00 0.00 N ATOM 747 CA ILE A 47 4.388 1.999 1.189 1.00 0.00 C ATOM 748 C ILE A 47 5.549 2.193 0.212 1.00 0.00 C ATOM 749 O ILE A 47 6.635 2.623 0.597 1.00 0.00 O ATOM 750 CB ILE A 47 4.211 0.490 1.483 1.00 0.00 C ATOM 751 CG1 ILE A 47 3.165 0.277 2.582 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.533 -0.150 1.878 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.865 -1.179 2.872 1.00 0.00 C ATOM 0 H ILE A 47 2.429 1.875 0.460 1.00 0.00 H new ATOM 0 HA ILE A 47 4.628 2.528 2.111 1.00 0.00 H new ATOM 0 HB ILE A 47 3.862 0.008 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.512 0.755 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.241 0.777 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.378 -1.210 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.250 -0.035 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.919 0.336 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.116 -1.246 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.486 -1.659 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.777 -1.681 3.194 1.00 0.00 H new ATOM 765 N TYR A 48 5.310 1.873 -1.049 1.00 0.00 N ATOM 766 CA TYR A 48 6.351 1.945 -2.062 1.00 0.00 C ATOM 767 C TYR A 48 6.353 3.321 -2.718 1.00 0.00 C ATOM 768 O TYR A 48 7.322 3.710 -3.370 1.00 0.00 O ATOM 769 CB TYR A 48 6.125 0.844 -3.108 1.00 0.00 C ATOM 770 CG TYR A 48 7.179 0.776 -4.194 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.437 0.243 -3.939 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.909 1.235 -5.478 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.397 0.175 -4.933 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.863 1.168 -6.475 1.00 0.00 C ATOM 775 CZ TYR A 48 9.105 0.638 -6.197 1.00 0.00 C ATOM 776 OH TYR A 48 10.057 0.572 -7.186 1.00 0.00 O ATOM 0 H TYR A 48 4.403 1.560 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 48 7.323 1.791 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.085 -0.119 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.152 0.999 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.669 -0.124 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.937 1.651 -5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.371 -0.239 -4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.637 1.529 -7.467 1.00 0.00 H new ATOM 0 HH TYR A 48 9.691 0.939 -8.018 1.00 0.00 H new ATOM 786 N GLY A 49 5.268 4.059 -2.529 1.00 0.00 N ATOM 787 CA GLY A 49 5.117 5.321 -3.215 1.00 0.00 C ATOM 788 C GLY A 49 5.409 6.543 -2.361 1.00 0.00 C ATOM 789 O GLY A 49 6.456 7.174 -2.502 1.00 0.00 O ATOM 0 H GLY A 49 4.494 3.806 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.780 5.331 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.098 5.394 -3.594 1.00 0.00 H new ATOM 793 N LEU A 50 4.478 6.880 -1.475 1.00 0.00 N ATOM 794 CA LEU A 50 4.465 8.205 -0.871 1.00 0.00 C ATOM 795 C LEU A 50 4.896 8.228 0.598 1.00 0.00 C ATOM 796 O LEU A 50 6.020 8.623 0.916 1.00 0.00 O ATOM 797 CB LEU A 50 3.067 8.812 -1.002 1.00 0.00 C ATOM 798 CG LEU A 50 2.507 8.863 -2.427 1.00 0.00 C ATOM 799 CD1 LEU A 50 1.095 9.418 -2.419 1.00 0.00 C ATOM 800 CD2 LEU A 50 3.397 9.702 -3.326 1.00 0.00 C ATOM 0 H LEU A 50 3.730 6.261 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 50 5.203 8.795 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.380 8.239 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.090 9.826 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 50 2.483 7.847 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.710 9.448 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.456 8.779 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.103 10.426 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.980 9.724 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.455 10.718 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.396 9.267 -3.357 1.00 0.00 H new ATOM 812 N ILE A 51 4.003 7.802 1.486 1.00 0.00 N ATOM 813 CA ILE A 51 4.170 8.066 2.916 1.00 0.00 C ATOM 814 C ILE A 51 4.265 6.784 3.733 1.00 0.00 C ATOM 815 O ILE A 51 4.285 5.685 3.188 1.00 0.00 O ATOM 816 CB ILE A 51 3.021 8.942 3.486 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.701 8.153 3.630 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.811 10.177 2.625 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.096 7.670 2.328 1.00 0.00 C ATOM 0 H ILE A 51 3.162 7.277 1.246 1.00 0.00 H new ATOM 0 HA ILE A 51 5.110 8.610 3.003 1.00 0.00 H new ATOM 0 HB ILE A 51 3.322 9.254 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.880 7.290 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.972 8.784 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.002 10.777 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.727 10.767 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.553 9.874 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.173 7.128 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.879 8.525 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.800 7.009 1.823 1.00 0.00 H new ATOM 831 N THR A 52 4.308 6.944 5.048 1.00 0.00 N ATOM 832 CA THR A 52 4.449 5.819 5.953 1.00 0.00 C ATOM 833 C THR A 52 3.090 5.209 6.289 1.00 0.00 C ATOM 834 O THR A 52 2.042 5.765 5.944 1.00 0.00 O ATOM 835 CB THR A 52 5.155 6.249 7.252 1.00 0.00 C ATOM 836 OG1 THR A 52 4.393 7.269 7.914 1.00 0.00 O ATOM 837 CG2 THR A 52 6.549 6.770 6.956 1.00 0.00 C ATOM 0 H THR A 52 4.247 7.850 5.512 1.00 0.00 H new ATOM 0 HA THR A 52 5.056 5.067 5.448 1.00 0.00 H new ATOM 0 HB THR A 52 5.235 5.377 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.849 7.534 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.031 7.069 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.137 5.986 6.478 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.482 7.630 6.290 1.00 0.00 H new ATOM 845 N LEU A 53 3.116 4.071 6.976 1.00 0.00 N ATOM 846 CA LEU A 53 1.898 3.365 7.350 1.00 0.00 C ATOM 847 C LEU A 53 1.051 4.190 8.319 1.00 0.00 C ATOM 848 O LEU A 53 -0.154 3.987 8.423 1.00 0.00 O ATOM 849 CB LEU A 53 2.249 2.008 7.977 1.00 0.00 C ATOM 850 CG LEU A 53 1.062 1.193 8.508 1.00 0.00 C ATOM 851 CD1 LEU A 53 0.088 0.862 7.387 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.555 -0.079 9.182 1.00 0.00 C ATOM 0 H LEU A 53 3.975 3.616 7.286 1.00 0.00 H new ATOM 0 HA LEU A 53 1.310 3.203 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.773 1.409 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.946 2.177 8.798 1.00 0.00 H new ATOM 0 HG LEU A 53 0.534 1.796 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.745 0.284 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.289 1.786 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.599 0.279 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.703 -0.647 9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.107 -0.682 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.209 0.180 10.014 1.00 0.00 H new ATOM 864 N ALA A 54 1.684 5.127 9.016 1.00 0.00 N ATOM 865 CA ALA A 54 0.986 5.973 9.980 1.00 0.00 C ATOM 866 C ALA A 54 -0.145 6.746 9.307 1.00 0.00 C ATOM 867 O ALA A 54 -1.312 6.613 9.680 1.00 0.00 O ATOM 868 CB ALA A 54 1.968 6.929 10.644 1.00 0.00 C ATOM 0 H ALA A 54 2.682 5.321 8.932 1.00 0.00 H new ATOM 0 HA ALA A 54 0.546 5.334 10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.437 7.555 11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.739 6.358 11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.432 7.559 9.885 1.00 0.00 H new ATOM 874 N GLU A 55 0.203 7.530 8.298 1.00 0.00 N ATOM 875 CA GLU A 55 -0.774 8.341 7.582 1.00 0.00 C ATOM 876 C GLU A 55 -1.724 7.453 6.784 1.00 0.00 C ATOM 877 O GLU A 55 -2.926 7.715 6.706 1.00 0.00 O ATOM 878 CB GLU A 55 -0.060 9.319 6.648 1.00 0.00 C ATOM 879 CG GLU A 55 -0.986 10.319 5.981 1.00 0.00 C ATOM 880 CD GLU A 55 -1.723 11.189 6.981 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.072 11.726 7.904 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.956 11.340 6.853 1.00 0.00 O ATOM 0 H GLU A 55 1.159 7.623 7.954 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.357 8.906 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.697 9.861 7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.464 8.754 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.407 10.954 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.711 9.784 5.367 1.00 0.00 H new ATOM 889 N ALA A 56 -1.177 6.391 6.211 1.00 0.00 N ATOM 890 CA ALA A 56 -1.961 5.454 5.417 1.00 0.00 C ATOM 891 C ALA A 56 -2.983 4.728 6.270 1.00 0.00 C ATOM 892 O ALA A 56 -4.022 4.337 5.776 1.00 0.00 O ATOM 893 CB ALA A 56 -1.050 4.460 4.720 1.00 0.00 C ATOM 0 H ALA A 56 -0.187 6.155 6.281 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.502 6.025 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.651 3.767 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.364 4.994 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.481 3.904 5.465 1.00 0.00 H new ATOM 899 N LYS A 57 -2.697 4.552 7.550 1.00 0.00 N ATOM 900 CA LYS A 57 -3.649 3.911 8.444 1.00 0.00 C ATOM 901 C LYS A 57 -4.671 4.926 8.942 1.00 0.00 C ATOM 902 O LYS A 57 -5.869 4.646 8.996 1.00 0.00 O ATOM 903 CB LYS A 57 -2.925 3.251 9.622 1.00 0.00 C ATOM 904 CG LYS A 57 -3.805 2.302 10.422 1.00 0.00 C ATOM 905 CD LYS A 57 -3.004 1.559 11.480 1.00 0.00 C ATOM 906 CE LYS A 57 -2.593 2.473 12.622 1.00 0.00 C ATOM 907 NZ LYS A 57 -3.746 2.830 13.494 1.00 0.00 N ATOM 0 H LYS A 57 -1.823 4.840 7.990 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.174 3.133 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.061 2.703 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.545 4.028 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.608 2.864 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.275 1.585 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.597 0.733 11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.114 1.125 11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.825 1.983 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.150 3.383 12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.401 3.325 14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.397 3.450 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.247 1.964 13.779 1.00 0.00 H new ATOM 921 N GLN A 58 -4.205 6.119 9.277 1.00 0.00 N ATOM 922 CA GLN A 58 -5.086 7.161 9.786 1.00 0.00 C ATOM 923 C GLN A 58 -6.071 7.632 8.720 1.00 0.00 C ATOM 924 O GLN A 58 -7.234 7.901 9.020 1.00 0.00 O ATOM 925 CB GLN A 58 -4.276 8.338 10.321 1.00 0.00 C ATOM 926 CG GLN A 58 -3.516 8.010 11.598 1.00 0.00 C ATOM 927 CD GLN A 58 -2.733 9.192 12.138 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.261 10.038 11.378 1.00 0.00 O ATOM 929 NE2 GLN A 58 -2.604 9.268 13.451 1.00 0.00 N ATOM 0 H GLN A 58 -3.224 6.390 9.206 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.662 6.732 10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.569 8.661 9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.946 9.177 10.510 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.220 7.670 12.357 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.831 7.184 11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.010 8.546 14.046 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.098 10.049 13.869 1.00 0.00 H new ATOM 938 N THR A 59 -5.617 7.724 7.480 1.00 0.00 N ATOM 939 CA THR A 59 -6.489 8.156 6.398 1.00 0.00 C ATOM 940 C THR A 59 -7.060 6.968 5.623 1.00 0.00 C ATOM 941 O THR A 59 -8.276 6.802 5.543 1.00 0.00 O ATOM 942 CB THR A 59 -5.753 9.110 5.438 1.00 0.00 C ATOM 943 OG1 THR A 59 -5.322 10.277 6.156 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.655 9.527 4.282 1.00 0.00 C ATOM 0 H THR A 59 -4.661 7.508 7.199 1.00 0.00 H new ATOM 0 HA THR A 59 -7.320 8.693 6.855 1.00 0.00 H new ATOM 0 HB THR A 59 -4.889 8.586 5.029 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.343 10.305 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.110 10.200 3.620 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.965 8.643 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.536 10.037 4.673 1.00 0.00 H new ATOM 952 N TYR A 60 -6.187 6.124 5.081 1.00 0.00 N ATOM 953 CA TYR A 60 -6.631 5.036 4.212 1.00 0.00 C ATOM 954 C TYR A 60 -6.720 3.715 4.973 1.00 0.00 C ATOM 955 O TYR A 60 -6.810 2.652 4.367 1.00 0.00 O ATOM 956 CB TYR A 60 -5.680 4.867 3.022 1.00 0.00 C ATOM 957 CG TYR A 60 -5.351 6.158 2.297 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.245 6.724 1.397 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.144 6.812 2.518 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.944 7.901 0.736 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.837 7.989 1.863 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.740 8.531 0.973 1.00 0.00 C ATOM 963 OH TYR A 60 -4.441 9.705 0.318 1.00 0.00 O ATOM 0 H TYR A 60 -5.178 6.170 5.225 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.624 5.301 3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.753 4.416 3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.125 4.169 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.191 6.237 1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.433 6.392 3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.649 8.325 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.894 8.482 2.047 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.556 10.020 0.598 1.00 0.00 H new ATOM 973 N GLY A 61 -6.699 3.787 6.300 1.00 0.00 N ATOM 974 CA GLY A 61 -6.630 2.583 7.104 1.00 0.00 C ATOM 975 C GLY A 61 -7.939 1.839 7.189 1.00 0.00 C ATOM 976 O GLY A 61 -7.958 0.711 7.671 1.00 0.00 O ATOM 0 H GLY A 61 -6.729 4.657 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.871 1.921 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.305 2.846 8.111 1.00 0.00 H new ATOM 980 N LEU A 62 -9.023 2.475 6.720 1.00 0.00 N ATOM 981 CA LEU A 62 -10.371 1.879 6.700 1.00 0.00 C ATOM 982 C LEU A 62 -10.672 1.116 7.994 1.00 0.00 C ATOM 983 O LEU A 62 -11.068 1.713 8.997 1.00 0.00 O ATOM 984 CB LEU A 62 -10.555 0.968 5.469 1.00 0.00 C ATOM 985 CG LEU A 62 -9.404 0.987 4.456 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.493 -0.215 4.649 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.930 1.038 3.030 1.00 0.00 C ATOM 0 H LEU A 62 -8.991 3.422 6.342 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.087 2.698 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.695 -0.056 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.472 1.260 4.957 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.820 1.890 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.684 -0.180 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.075 -0.197 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.066 -1.132 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.092 1.051 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.548 0.161 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.528 1.939 2.895 1.00 0.00 H new ATOM 999 N SER A 63 -10.486 -0.196 7.969 1.00 0.00 N ATOM 1000 CA SER A 63 -10.515 -0.992 9.178 1.00 0.00 C ATOM 1001 C SER A 63 -9.173 -1.700 9.330 1.00 0.00 C ATOM 1002 O SER A 63 -8.568 -2.107 8.333 1.00 0.00 O ATOM 1003 CB SER A 63 -11.669 -1.995 9.142 1.00 0.00 C ATOM 1004 OG SER A 63 -11.670 -2.735 7.935 1.00 0.00 O ATOM 0 H SER A 63 -10.313 -0.730 7.117 1.00 0.00 H new ATOM 0 HA SER A 63 -10.680 -0.345 10.039 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.588 -2.677 9.989 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.616 -1.467 9.248 1.00 0.00 H new ATOM 0 HG SER A 63 -12.417 -3.369 7.941 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.702 -1.834 10.564 1.00 0.00 N ATOM 1011 CA ASP A 64 -7.359 -2.354 10.830 1.00 0.00 C ATOM 1012 C ASP A 64 -7.170 -3.738 10.211 1.00 0.00 C ATOM 1013 O ASP A 64 -6.103 -4.053 9.678 1.00 0.00 O ATOM 1014 CB ASP A 64 -7.103 -2.404 12.340 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.648 -2.677 12.691 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.812 -1.755 12.557 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -5.338 -3.801 13.135 1.00 0.00 O ATOM 0 H ASP A 64 -9.230 -1.590 11.402 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.636 -1.680 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.406 -1.456 12.785 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.729 -3.179 12.783 1.00 0.00 H new ATOM 1022 N GLU A 65 -8.220 -4.547 10.246 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.158 -5.892 9.691 1.00 0.00 C ATOM 1024 C GLU A 65 -8.155 -5.870 8.166 1.00 0.00 C ATOM 1025 O GLU A 65 -7.502 -6.697 7.535 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.320 -6.735 10.200 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.274 -6.964 11.698 1.00 0.00 C ATOM 1028 CD GLU A 65 -10.373 -7.881 12.182 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -10.198 -9.115 12.112 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -11.411 -7.371 12.649 1.00 0.00 O ATOM 0 H GLU A 65 -9.122 -4.297 10.651 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.221 -6.340 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.258 -6.244 9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.313 -7.698 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.307 -7.389 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.354 -6.005 12.211 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.871 -4.919 7.575 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.932 -4.799 6.118 1.00 0.00 C ATOM 1039 C GLU A 66 -7.554 -4.467 5.555 1.00 0.00 C ATOM 1040 O GLU A 66 -7.100 -5.086 4.596 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.934 -3.714 5.713 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.066 -3.501 4.212 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.605 -4.711 3.470 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.629 -5.279 3.900 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.025 -5.081 2.425 1.00 0.00 O ATOM 0 H GLU A 66 -9.417 -4.220 8.079 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.261 -5.754 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.913 -3.973 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.637 -2.773 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.725 -2.651 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.090 -3.240 3.803 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.883 -3.502 6.173 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.564 -3.087 5.719 1.00 0.00 C ATOM 1054 C PHE A 67 -4.574 -4.246 5.854 1.00 0.00 C ATOM 1055 O PHE A 67 -3.760 -4.492 4.962 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.078 -1.875 6.520 1.00 0.00 C ATOM 1057 CG PHE A 67 -4.073 -1.037 5.783 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.752 -1.438 5.675 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.457 0.155 5.192 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.834 -0.665 4.992 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.544 0.933 4.507 1.00 0.00 C ATOM 1062 CZ PHE A 67 -2.230 0.524 4.406 1.00 0.00 C ATOM 0 H PHE A 67 -7.230 -2.995 6.987 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.630 -2.801 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.935 -1.255 6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.637 -2.220 7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.436 -2.365 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.484 0.481 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.807 -0.989 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.858 1.860 4.051 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.513 1.130 3.871 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.663 -4.970 6.968 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.809 -6.132 7.201 1.00 0.00 C ATOM 1074 C ASN A 68 -4.168 -7.270 6.260 1.00 0.00 C ATOM 1075 O ASN A 68 -3.318 -8.096 5.927 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.906 -6.608 8.655 1.00 0.00 C ATOM 1077 CG ASN A 68 -2.989 -5.839 9.590 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -1.835 -6.216 9.793 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.500 -4.768 10.176 1.00 0.00 N ATOM 0 H ASN A 68 -5.319 -4.772 7.724 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.782 -5.825 7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.936 -6.505 8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.659 -7.669 8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.932 -4.221 10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.462 -4.489 9.980 1.00 0.00 H new ATOM 1086 N SER A 69 -5.419 -7.304 5.827 1.00 0.00 N ATOM 1087 CA SER A 69 -5.889 -8.325 4.904 1.00 0.00 C ATOM 1088 C SER A 69 -5.128 -8.238 3.586 1.00 0.00 C ATOM 1089 O SER A 69 -4.742 -9.259 3.013 1.00 0.00 O ATOM 1090 CB SER A 69 -7.396 -8.170 4.671 1.00 0.00 C ATOM 1091 OG SER A 69 -7.908 -9.210 3.854 1.00 0.00 O ATOM 0 H SER A 69 -6.133 -6.630 6.103 1.00 0.00 H new ATOM 0 HA SER A 69 -5.705 -9.307 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.915 -8.171 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.595 -7.207 4.202 1.00 0.00 H new ATOM 0 HG SER A 69 -8.871 -9.082 3.727 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.875 -7.013 3.124 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.161 -6.808 1.871 1.00 0.00 C ATOM 1099 C TRP A 70 -2.752 -7.368 1.979 1.00 0.00 C ATOM 1100 O TRP A 70 -2.326 -8.168 1.151 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.095 -5.324 1.514 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.419 -4.628 1.553 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.655 -5.203 1.528 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.635 -3.217 1.614 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.624 -4.236 1.593 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.025 -3.008 1.640 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -4.787 -2.111 1.657 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.584 -1.737 1.704 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.341 -0.850 1.719 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.728 -0.670 1.742 1.00 0.00 C ATOM 0 H TRP A 70 -5.154 -6.154 3.598 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.703 -7.330 1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.414 -4.825 2.203 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.671 -5.220 0.515 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.843 -6.265 1.466 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.630 -4.405 1.604 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.715 -2.240 1.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.655 -1.597 1.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.693 0.013 1.750 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.131 0.331 1.791 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.045 -6.955 3.025 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.678 -7.403 3.257 1.00 0.00 C ATOM 1123 C VAL A 71 -0.634 -8.916 3.471 1.00 0.00 C ATOM 1124 O VAL A 71 0.286 -9.590 3.015 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.056 -6.691 4.477 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.401 -7.084 4.651 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.196 -5.182 4.345 1.00 0.00 C ATOM 0 H VAL A 71 -2.399 -6.307 3.729 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.096 -7.149 2.371 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.598 -7.009 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.816 -6.569 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.472 -8.161 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.962 -6.804 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.248 -4.698 5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.315 -4.847 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.252 -4.919 4.283 1.00 0.00 H new ATOM 1137 N SER A 72 -1.647 -9.443 4.150 1.00 0.00 N ATOM 1138 CA SER A 72 -1.750 -10.877 4.393 1.00 0.00 C ATOM 1139 C SER A 72 -1.946 -11.646 3.087 1.00 0.00 C ATOM 1140 O SER A 72 -1.411 -12.743 2.911 1.00 0.00 O ATOM 1141 CB SER A 72 -2.902 -11.159 5.360 1.00 0.00 C ATOM 1142 OG SER A 72 -2.613 -10.652 6.651 1.00 0.00 O ATOM 0 H SER A 72 -2.412 -8.895 4.544 1.00 0.00 H new ATOM 0 HA SER A 72 -0.817 -11.218 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.818 -10.705 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.079 -12.233 5.418 1.00 0.00 H new ATOM 0 HG SER A 72 -2.789 -9.688 6.671 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.700 -11.063 2.164 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.930 -11.682 0.865 1.00 0.00 C ATOM 1150 C ALA A 73 -1.700 -11.530 -0.020 1.00 0.00 C ATOM 1151 O ALA A 73 -1.409 -12.384 -0.853 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.155 -11.081 0.189 1.00 0.00 C ATOM 0 H ALA A 73 -3.163 -10.163 2.291 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.116 -12.745 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.307 -11.558 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.032 -11.243 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.004 -10.011 0.046 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.969 -10.441 0.190 1.00 0.00 N ATOM 1159 CA LEU A 74 0.246 -10.165 -0.570 1.00 0.00 C ATOM 1160 C LEU A 74 1.421 -10.953 -0.006 1.00 0.00 C ATOM 1161 O LEU A 74 2.511 -10.975 -0.582 1.00 0.00 O ATOM 1162 CB LEU A 74 0.544 -8.665 -0.544 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.482 -7.799 -1.274 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.198 -6.324 -1.046 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.480 -8.116 -2.761 1.00 0.00 C ATOM 0 H LEU A 74 -1.198 -9.730 0.885 1.00 0.00 H new ATOM 0 HA LEU A 74 0.094 -10.477 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.603 -8.338 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.525 -8.495 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.470 -8.024 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.940 -5.725 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.247 -6.105 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.797 -6.083 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.216 -7.491 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.509 -7.918 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.732 -9.166 -2.910 1.00 0.00 H new ATOM 1177 N ALA A 75 1.193 -11.576 1.141 1.00 0.00 N ATOM 1178 CA ALA A 75 2.167 -12.469 1.739 1.00 0.00 C ATOM 1179 C ALA A 75 1.817 -13.915 1.423 1.00 0.00 C ATOM 1180 O ALA A 75 2.625 -14.821 1.641 1.00 0.00 O ATOM 1181 CB ALA A 75 2.216 -12.263 3.244 1.00 0.00 C ATOM 0 H ALA A 75 0.332 -11.476 1.679 1.00 0.00 H new ATOM 0 HA ALA A 75 3.148 -12.244 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.951 -12.940 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.497 -11.233 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.235 -12.469 3.672 1.00 0.00 H new ATOM 1187 N GLU A 76 0.595 -14.106 0.920 1.00 0.00 N ATOM 1188 CA GLU A 76 0.030 -15.424 0.619 1.00 0.00 C ATOM 1189 C GLU A 76 -0.208 -16.232 1.896 1.00 0.00 C ATOM 1190 O GLU A 76 -1.329 -16.648 2.175 1.00 0.00 O ATOM 1191 CB GLU A 76 0.915 -16.217 -0.349 1.00 0.00 C ATOM 1192 CG GLU A 76 0.254 -17.489 -0.855 1.00 0.00 C ATOM 1193 CD GLU A 76 1.183 -18.349 -1.682 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.276 -18.128 -2.909 1.00 0.00 O ATOM 1195 OE2 GLU A 76 1.815 -19.259 -1.110 1.00 0.00 O ATOM 0 H GLU A 76 -0.040 -13.337 0.707 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.930 -15.250 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.171 -15.585 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.850 -16.474 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.107 -18.067 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.618 -17.225 -1.454 1.00 0.00 H new ATOM 1202 N HIS A 77 0.845 -16.443 2.669 1.00 0.00 N ATOM 1203 CA HIS A 77 0.752 -17.235 3.889 1.00 0.00 C ATOM 1204 C HIS A 77 0.239 -16.376 5.034 1.00 0.00 C ATOM 1205 O HIS A 77 -0.774 -16.685 5.662 1.00 0.00 O ATOM 1206 CB HIS A 77 2.116 -17.820 4.278 1.00 0.00 C ATOM 1207 CG HIS A 77 2.934 -18.321 3.126 1.00 0.00 C ATOM 1208 ND1 HIS A 77 4.180 -17.816 2.828 1.00 0.00 N ATOM 1209 CD2 HIS A 77 2.682 -19.272 2.192 1.00 0.00 C ATOM 1210 CE1 HIS A 77 4.659 -18.428 1.761 1.00 0.00 C ATOM 1211 NE2 HIS A 77 3.771 -19.315 1.358 1.00 0.00 N ATOM 0 H HIS A 77 1.777 -16.077 2.474 1.00 0.00 H new ATOM 0 HA HIS A 77 0.059 -18.054 3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 77 2.687 -17.056 4.806 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.958 -18.641 4.978 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.659 -17.083 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.793 -19.880 2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.615 -18.235 1.297 1.00 0.00 H new ATOM 1220 N GLY A 78 0.954 -15.289 5.304 1.00 0.00 N ATOM 1221 CA GLY A 78 0.609 -14.432 6.424 1.00 0.00 C ATOM 1222 C GLY A 78 1.036 -15.041 7.745 1.00 0.00 C ATOM 1223 O GLY A 78 0.656 -14.567 8.816 1.00 0.00 O ATOM 0 H GLY A 78 1.767 -14.986 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.086 -13.460 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.467 -14.260 6.433 1.00 0.00 H new ATOM 1227 N LYS A 79 1.827 -16.104 7.662 1.00 0.00 N ATOM 1228 CA LYS A 79 2.297 -16.812 8.843 1.00 0.00 C ATOM 1229 C LYS A 79 3.808 -16.694 8.967 1.00 0.00 C ATOM 1230 O LYS A 79 4.339 -16.543 10.066 1.00 0.00 O ATOM 1231 CB LYS A 79 1.914 -18.292 8.771 1.00 0.00 C ATOM 1232 CG LYS A 79 0.422 -18.545 8.608 1.00 0.00 C ATOM 1233 CD LYS A 79 0.127 -20.032 8.511 1.00 0.00 C ATOM 1234 CE LYS A 79 0.505 -20.761 9.793 1.00 0.00 C ATOM 1235 NZ LYS A 79 0.551 -22.232 9.603 1.00 0.00 N ATOM 0 H LYS A 79 2.158 -16.496 6.780 1.00 0.00 H new ATOM 0 HA LYS A 79 1.825 -16.360 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.442 -18.752 7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.258 -18.789 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.117 -18.119 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.060 -18.040 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.933 -20.181 8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.677 -20.459 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.478 -20.409 10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.216 -20.519 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.812 -22.690 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.384 -22.572 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.257 -22.466 8.876 1.00 0.00 H new ATOM 1249 N ASP A 80 4.496 -16.767 7.835 1.00 0.00 N ATOM 1250 CA ASP A 80 5.954 -16.713 7.824 1.00 0.00 C ATOM 1251 C ASP A 80 6.445 -15.326 8.216 1.00 0.00 C ATOM 1252 O ASP A 80 7.335 -15.194 9.059 1.00 0.00 O ATOM 1253 CB ASP A 80 6.512 -17.109 6.446 1.00 0.00 C ATOM 1254 CG ASP A 80 6.143 -16.131 5.347 1.00 0.00 C ATOM 1255 OD1 ASP A 80 5.005 -16.216 4.830 1.00 0.00 O ATOM 1256 OD2 ASP A 80 6.982 -15.265 5.012 1.00 0.00 O ATOM 0 H ASP A 80 4.070 -16.864 6.913 1.00 0.00 H new ATOM 0 HA ASP A 80 6.320 -17.431 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.598 -17.182 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.140 -18.099 6.182 1.00 0.00 H new ATOM 1261 N ALA A 81 5.855 -14.300 7.597 1.00 0.00 N ATOM 1262 CA ALA A 81 6.212 -12.908 7.857 1.00 0.00 C ATOM 1263 C ALA A 81 7.695 -12.657 7.588 1.00 0.00 C ATOM 1264 O ALA A 81 8.266 -11.673 8.061 1.00 0.00 O ATOM 1265 CB ALA A 81 5.851 -12.525 9.289 1.00 0.00 C ATOM 0 H ALA A 81 5.117 -14.414 6.902 1.00 0.00 H new ATOM 0 HA ALA A 81 5.640 -12.280 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.123 -11.485 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.779 -12.650 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.393 -13.166 9.985 1.00 0.00 H new ATOM 1271 N LEU A 82 8.301 -13.528 6.791 1.00 0.00 N ATOM 1272 CA LEU A 82 9.736 -13.492 6.576 1.00 0.00 C ATOM 1273 C LEU A 82 10.065 -13.083 5.148 1.00 0.00 C ATOM 1274 O LEU A 82 10.985 -12.298 4.915 1.00 0.00 O ATOM 1275 CB LEU A 82 10.344 -14.866 6.914 1.00 0.00 C ATOM 1276 CG LEU A 82 11.872 -14.984 6.788 1.00 0.00 C ATOM 1277 CD1 LEU A 82 12.409 -15.978 7.807 1.00 0.00 C ATOM 1278 CD2 LEU A 82 12.269 -15.417 5.381 1.00 0.00 C ATOM 0 H LEU A 82 7.817 -14.268 6.283 1.00 0.00 H new ATOM 0 HA LEU A 82 10.173 -12.743 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.064 -15.122 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.888 -15.612 6.262 1.00 0.00 H new ATOM 0 HG LEU A 82 12.306 -14.003 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.492 -16.052 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.160 -15.639 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.961 -16.956 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.354 -15.493 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.823 -16.387 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.914 -14.681 4.660 1.00 0.00 H new ATOM 1290 N LYS A 83 9.312 -13.598 4.192 1.00 0.00 N ATOM 1291 CA LYS A 83 9.583 -13.303 2.793 1.00 0.00 C ATOM 1292 C LYS A 83 8.492 -12.402 2.214 1.00 0.00 C ATOM 1293 O LYS A 83 8.261 -12.364 1.004 1.00 0.00 O ATOM 1294 CB LYS A 83 9.712 -14.602 1.984 1.00 0.00 C ATOM 1295 CG LYS A 83 10.280 -14.392 0.584 1.00 0.00 C ATOM 1296 CD LYS A 83 10.378 -15.690 -0.199 1.00 0.00 C ATOM 1297 CE LYS A 83 10.851 -15.431 -1.622 1.00 0.00 C ATOM 1298 NZ LYS A 83 10.956 -16.681 -2.413 1.00 0.00 N ATOM 0 H LYS A 83 8.517 -14.216 4.354 1.00 0.00 H new ATOM 0 HA LYS A 83 10.531 -12.769 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.352 -15.297 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.731 -15.070 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.649 -13.689 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.269 -13.940 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.069 -16.369 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.406 -16.182 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.159 -14.748 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.822 -14.937 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.281 -16.457 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.636 -17.323 -1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.024 -17.141 -2.461 1.00 0.00 H new ATOM 1312 N VAL A 84 7.832 -11.657 3.084 1.00 0.00 N ATOM 1313 CA VAL A 84 6.857 -10.675 2.643 1.00 0.00 C ATOM 1314 C VAL A 84 7.585 -9.456 2.095 1.00 0.00 C ATOM 1315 O VAL A 84 8.020 -8.598 2.860 1.00 0.00 O ATOM 1316 CB VAL A 84 5.924 -10.231 3.784 1.00 0.00 C ATOM 1317 CG1 VAL A 84 4.829 -9.316 3.249 1.00 0.00 C ATOM 1318 CG2 VAL A 84 5.335 -11.440 4.492 1.00 0.00 C ATOM 0 H VAL A 84 7.953 -11.713 4.095 1.00 0.00 H new ATOM 0 HA VAL A 84 6.244 -11.141 1.871 1.00 0.00 H new ATOM 0 HB VAL A 84 6.506 -9.668 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.178 -9.011 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.281 -8.433 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.244 -9.849 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.678 -11.107 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.764 -12.036 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.140 -12.045 4.909 1.00 0.00 H new ATOM 1328 N THR A 85 7.730 -9.404 0.780 1.00 0.00 N ATOM 1329 CA THR A 85 8.509 -8.366 0.119 1.00 0.00 C ATOM 1330 C THR A 85 8.047 -6.965 0.513 1.00 0.00 C ATOM 1331 O THR A 85 8.860 -6.129 0.893 1.00 0.00 O ATOM 1332 CB THR A 85 8.430 -8.513 -1.414 1.00 0.00 C ATOM 1333 OG1 THR A 85 8.839 -9.835 -1.801 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.309 -7.481 -2.107 1.00 0.00 C ATOM 0 H THR A 85 7.312 -10.079 0.140 1.00 0.00 H new ATOM 0 HA THR A 85 9.541 -8.493 0.447 1.00 0.00 H new ATOM 0 HB THR A 85 7.397 -8.347 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.785 -9.922 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.235 -7.607 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.977 -6.479 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.345 -7.618 -1.796 1.00 0.00 H new ATOM 1342 N ALA A 86 6.744 -6.723 0.443 1.00 0.00 N ATOM 1343 CA ALA A 86 6.194 -5.398 0.722 1.00 0.00 C ATOM 1344 C ALA A 86 6.523 -4.935 2.144 1.00 0.00 C ATOM 1345 O ALA A 86 6.844 -3.769 2.373 1.00 0.00 O ATOM 1346 CB ALA A 86 4.689 -5.397 0.505 1.00 0.00 C ATOM 0 H ALA A 86 6.047 -7.425 0.196 1.00 0.00 H new ATOM 0 HA ALA A 86 6.658 -4.696 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.292 -4.404 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.470 -5.663 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.225 -6.123 1.172 1.00 0.00 H new ATOM 1352 N LEU A 87 6.487 -5.866 3.087 1.00 0.00 N ATOM 1353 CA LEU A 87 6.652 -5.525 4.494 1.00 0.00 C ATOM 1354 C LEU A 87 8.133 -5.503 4.844 1.00 0.00 C ATOM 1355 O LEU A 87 8.613 -4.572 5.488 1.00 0.00 O ATOM 1356 CB LEU A 87 5.891 -6.529 5.378 1.00 0.00 C ATOM 1357 CG LEU A 87 5.582 -6.072 6.815 1.00 0.00 C ATOM 1358 CD1 LEU A 87 6.836 -6.048 7.680 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.915 -4.699 6.801 1.00 0.00 C ATOM 0 H LEU A 87 6.346 -6.860 2.905 1.00 0.00 H new ATOM 0 HA LEU A 87 6.237 -4.534 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.949 -6.773 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.472 -7.450 5.429 1.00 0.00 H new ATOM 0 HG LEU A 87 4.895 -6.796 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.577 -5.720 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.267 -7.048 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.562 -5.358 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.702 -4.388 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.582 -3.975 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.984 -4.752 6.236 1.00 0.00 H new ATOM 1371 N LYS A 88 8.850 -6.524 4.395 1.00 0.00 N ATOM 1372 CA LYS A 88 10.281 -6.617 4.635 1.00 0.00 C ATOM 1373 C LYS A 88 11.014 -5.470 3.953 1.00 0.00 C ATOM 1374 O LYS A 88 12.017 -4.973 4.467 1.00 0.00 O ATOM 1375 CB LYS A 88 10.819 -7.978 4.166 1.00 0.00 C ATOM 1376 CG LYS A 88 12.334 -8.046 4.075 1.00 0.00 C ATOM 1377 CD LYS A 88 12.862 -9.434 4.384 1.00 0.00 C ATOM 1378 CE LYS A 88 12.662 -9.787 5.851 1.00 0.00 C ATOM 1379 NZ LYS A 88 13.267 -11.097 6.195 1.00 0.00 N ATOM 0 H LYS A 88 8.461 -7.301 3.861 1.00 0.00 H new ATOM 0 HA LYS A 88 10.459 -6.537 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.472 -8.750 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.396 -8.207 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.650 -7.753 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.771 -7.329 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.352 -10.167 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.922 -9.486 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.103 -9.009 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.596 -9.810 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.383 -11.166 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.646 -11.863 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.196 -11.182 5.735 1.00 0.00 H new ATOM 1393 N LYS A 89 10.502 -5.025 2.809 1.00 0.00 N ATOM 1394 CA LYS A 89 11.107 -3.894 2.128 1.00 0.00 C ATOM 1395 C LYS A 89 10.898 -2.644 2.955 1.00 0.00 C ATOM 1396 O LYS A 89 11.848 -1.923 3.217 1.00 0.00 O ATOM 1397 CB LYS A 89 10.529 -3.671 0.734 1.00 0.00 C ATOM 1398 CG LYS A 89 11.460 -2.884 -0.171 1.00 0.00 C ATOM 1399 CD LYS A 89 12.690 -3.700 -0.545 1.00 0.00 C ATOM 1400 CE LYS A 89 13.971 -2.899 -0.374 1.00 0.00 C ATOM 1401 NZ LYS A 89 14.298 -2.678 1.062 1.00 0.00 N ATOM 0 H LYS A 89 9.686 -5.423 2.345 1.00 0.00 H new ATOM 0 HA LYS A 89 12.168 -4.114 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.315 -4.637 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.580 -3.142 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.928 -2.589 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.768 -1.967 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.735 -4.595 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.605 -4.033 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.795 -3.424 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.868 -1.937 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.991 -1.907 1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.433 -2.424 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.699 -3.549 1.465 1.00 0.00 H new ATOM 1415 N TYR A 90 9.656 -2.410 3.360 1.00 0.00 N ATOM 1416 CA TYR A 90 9.314 -1.266 4.203 1.00 0.00 C ATOM 1417 C TYR A 90 10.176 -1.255 5.461 1.00 0.00 C ATOM 1418 O TYR A 90 10.830 -0.262 5.771 1.00 0.00 O ATOM 1419 CB TYR A 90 7.831 -1.343 4.578 1.00 0.00 C ATOM 1420 CG TYR A 90 7.299 -0.170 5.380 1.00 0.00 C ATOM 1421 CD1 TYR A 90 7.213 1.103 4.824 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.844 -0.349 6.681 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.690 2.162 5.545 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.326 0.707 7.409 1.00 0.00 C ATOM 1425 CZ TYR A 90 6.248 1.959 6.836 1.00 0.00 C ATOM 1426 OH TYR A 90 5.713 3.005 7.553 1.00 0.00 O ATOM 0 H TYR A 90 8.861 -3.001 3.117 1.00 0.00 H new ATOM 0 HA TYR A 90 9.503 -0.344 3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.246 -1.430 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.665 -2.256 5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.560 1.267 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.896 -1.329 7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.628 3.144 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.984 0.552 8.422 1.00 0.00 H new ATOM 0 HH TYR A 90 5.450 2.691 8.443 1.00 0.00 H new ATOM 1436 N ARG A 91 10.193 -2.383 6.153 1.00 0.00 N ATOM 1437 CA ARG A 91 10.932 -2.521 7.401 1.00 0.00 C ATOM 1438 C ARG A 91 12.428 -2.273 7.197 1.00 0.00 C ATOM 1439 O ARG A 91 13.028 -1.457 7.895 1.00 0.00 O ATOM 1440 CB ARG A 91 10.701 -3.922 7.977 1.00 0.00 C ATOM 1441 CG ARG A 91 11.353 -4.157 9.328 1.00 0.00 C ATOM 1442 CD ARG A 91 10.780 -3.243 10.395 1.00 0.00 C ATOM 1443 NE ARG A 91 11.345 -3.530 11.711 1.00 0.00 N ATOM 1444 CZ ARG A 91 11.981 -2.633 12.461 1.00 0.00 C ATOM 1445 NH1 ARG A 91 12.112 -1.382 12.041 1.00 0.00 N ATOM 1446 NH2 ARG A 91 12.481 -2.989 13.637 1.00 0.00 N ATOM 0 H ARG A 91 9.697 -3.227 5.868 1.00 0.00 H new ATOM 0 HA ARG A 91 10.567 -1.770 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.628 -4.092 8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.080 -4.660 7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.211 -5.196 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.427 -3.993 9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.981 -2.205 10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.697 -3.359 10.431 1.00 0.00 H new ATOM 0 HE ARG A 91 11.246 -4.477 12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.724 -1.103 11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.600 -0.698 12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.378 -3.949 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.969 -2.303 14.213 1.00 0.00 H new ATOM 1460 N GLN A 92 13.018 -2.954 6.221 1.00 0.00 N ATOM 1461 CA GLN A 92 14.462 -2.892 6.008 1.00 0.00 C ATOM 1462 C GLN A 92 14.856 -1.697 5.133 1.00 0.00 C ATOM 1463 O GLN A 92 16.031 -1.492 4.833 1.00 0.00 O ATOM 1464 CB GLN A 92 14.954 -4.208 5.390 1.00 0.00 C ATOM 1465 CG GLN A 92 16.471 -4.335 5.311 1.00 0.00 C ATOM 1466 CD GLN A 92 17.161 -4.121 6.648 1.00 0.00 C ATOM 1467 OE1 GLN A 92 18.293 -3.643 6.702 1.00 0.00 O ATOM 1468 NE2 GLN A 92 16.500 -4.487 7.734 1.00 0.00 N ATOM 0 H GLN A 92 12.520 -3.555 5.564 1.00 0.00 H new ATOM 0 HA GLN A 92 14.942 -2.751 6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.561 -5.040 5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.540 -4.301 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.727 -5.324 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.853 -3.610 4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.562 -4.880 7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.928 -4.376 8.653 1.00 0.00 H new ATOM 1477 N LEU A 93 13.879 -0.912 4.714 1.00 0.00 N ATOM 1478 CA LEU A 93 14.165 0.327 4.002 1.00 0.00 C ATOM 1479 C LEU A 93 14.220 1.477 5.000 1.00 0.00 C ATOM 1480 O LEU A 93 14.899 2.481 4.782 1.00 0.00 O ATOM 1481 CB LEU A 93 13.106 0.594 2.920 1.00 0.00 C ATOM 1482 CG LEU A 93 13.403 1.769 1.986 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.693 1.522 1.217 1.00 0.00 C ATOM 1484 CD2 LEU A 93 12.237 1.994 1.029 1.00 0.00 C ATOM 0 H LEU A 93 12.887 -1.106 4.852 1.00 0.00 H new ATOM 0 HA LEU A 93 15.130 0.238 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.992 -0.307 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.149 0.774 3.409 1.00 0.00 H new ATOM 0 HG LEU A 93 13.531 2.669 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.891 2.367 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.519 1.409 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.594 0.613 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.463 2.833 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.079 1.096 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.335 2.214 1.600 1.00 0.00 H new ATOM 1496 N LEU A 94 13.502 1.306 6.106 1.00 0.00 N ATOM 1497 CA LEU A 94 13.529 2.265 7.199 1.00 0.00 C ATOM 1498 C LEU A 94 14.790 2.062 8.032 1.00 0.00 C ATOM 1499 O LEU A 94 15.308 3.001 8.639 1.00 0.00 O ATOM 1500 CB LEU A 94 12.284 2.104 8.081 1.00 0.00 C ATOM 1501 CG LEU A 94 10.948 2.272 7.356 1.00 0.00 C ATOM 1502 CD1 LEU A 94 9.786 1.958 8.287 1.00 0.00 C ATOM 1503 CD2 LEU A 94 10.815 3.679 6.793 1.00 0.00 C ATOM 0 H LEU A 94 12.891 0.505 6.267 1.00 0.00 H new ATOM 0 HA LEU A 94 13.532 3.273 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 94 12.309 1.116 8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.335 2.833 8.890 1.00 0.00 H new ATOM 0 HG LEU A 94 10.922 1.566 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.846 2.084 7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.869 0.929 8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.810 2.635 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.858 3.777 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.868 4.403 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.624 3.867 6.087 1.00 0.00 H new ATOM 1515 N GLU A 95 15.268 0.822 8.057 1.00 0.00 N ATOM 1516 CA GLU A 95 16.511 0.488 8.738 1.00 0.00 C ATOM 1517 C GLU A 95 17.689 0.641 7.782 1.00 0.00 C ATOM 1518 O GLU A 95 17.894 -0.179 6.883 1.00 0.00 O ATOM 1519 CB GLU A 95 16.447 -0.937 9.298 1.00 0.00 C ATOM 1520 CG GLU A 95 17.675 -1.341 10.099 1.00 0.00 C ATOM 1521 CD GLU A 95 17.496 -2.673 10.796 1.00 0.00 C ATOM 1522 OE1 GLU A 95 17.697 -3.723 10.148 1.00 0.00 O ATOM 1523 OE2 GLU A 95 17.157 -2.674 11.997 1.00 0.00 O ATOM 0 H GLU A 95 14.809 0.028 7.610 1.00 0.00 H new ATOM 0 HA GLU A 95 16.652 1.175 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.565 -1.028 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.318 -1.636 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.537 -1.395 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.891 -0.572 10.841 1.00 0.00 H new ATOM 1530 N HIS A 96 18.457 1.699 7.974 1.00 0.00 N ATOM 1531 CA HIS A 96 19.536 2.033 7.058 1.00 0.00 C ATOM 1532 C HIS A 96 20.814 1.304 7.433 1.00 0.00 C ATOM 1533 O HIS A 96 21.559 1.737 8.311 1.00 0.00 O ATOM 1534 CB HIS A 96 19.778 3.544 7.033 1.00 0.00 C ATOM 1535 CG HIS A 96 18.583 4.322 6.590 1.00 0.00 C ATOM 1536 ND1 HIS A 96 18.194 4.414 5.274 1.00 0.00 N ATOM 1537 CD2 HIS A 96 17.676 5.030 7.298 1.00 0.00 C ATOM 1538 CE1 HIS A 96 17.097 5.141 5.190 1.00 0.00 C ATOM 1539 NE2 HIS A 96 16.762 5.529 6.405 1.00 0.00 N ATOM 0 H HIS A 96 18.354 2.344 8.758 1.00 0.00 H new ATOM 0 HA HIS A 96 19.237 1.711 6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 96 20.071 3.875 8.029 1.00 0.00 H new ATOM 0 HB3 HIS A 96 20.613 3.761 6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 96 17.671 5.176 8.368 1.00 0.00 H new ATOM 0 HE1 HIS A 96 16.564 5.378 4.281 1.00 0.00 H new ATOM 0 HE2 HIS A 96 15.955 6.106 6.642 1.00 0.00 H new ATOM 1548 N HIS A 97 21.056 0.189 6.768 1.00 0.00 N ATOM 1549 CA HIS A 97 22.243 -0.606 7.028 1.00 0.00 C ATOM 1550 C HIS A 97 23.400 -0.155 6.140 1.00 0.00 C ATOM 1551 O HIS A 97 23.233 0.046 4.937 1.00 0.00 O ATOM 1552 CB HIS A 97 21.955 -2.107 6.827 1.00 0.00 C ATOM 1553 CG HIS A 97 21.520 -2.505 5.438 1.00 0.00 C ATOM 1554 ND1 HIS A 97 20.219 -2.805 5.111 1.00 0.00 N ATOM 1555 CD2 HIS A 97 22.234 -2.679 4.302 1.00 0.00 C ATOM 1556 CE1 HIS A 97 20.153 -3.148 3.835 1.00 0.00 C ATOM 1557 NE2 HIS A 97 21.363 -3.081 3.320 1.00 0.00 N ATOM 0 H HIS A 97 20.445 -0.187 6.043 1.00 0.00 H new ATOM 0 HA HIS A 97 22.531 -0.453 8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 97 22.853 -2.669 7.082 1.00 0.00 H new ATOM 0 HB3 HIS A 97 21.180 -2.408 7.532 1.00 0.00 H new ATOM 0 HD1 HIS A 97 19.427 -2.769 5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 97 23.297 -2.529 4.188 1.00 0.00 H new ATOM 0 HE1 HIS A 97 19.257 -3.435 3.305 1.00 0.00 H new ATOM 1566 N HIS A 98 24.564 0.041 6.745 1.00 0.00 N ATOM 1567 CA HIS A 98 25.773 0.360 5.993 1.00 0.00 C ATOM 1568 C HIS A 98 26.805 -0.743 6.154 1.00 0.00 C ATOM 1569 O HIS A 98 27.991 -0.542 5.895 1.00 0.00 O ATOM 1570 CB HIS A 98 26.363 1.702 6.427 1.00 0.00 C ATOM 1571 CG HIS A 98 25.688 2.882 5.804 1.00 0.00 C ATOM 1572 ND1 HIS A 98 26.193 3.542 4.703 1.00 0.00 N ATOM 1573 CD2 HIS A 98 24.545 3.530 6.135 1.00 0.00 C ATOM 1574 CE1 HIS A 98 25.390 4.537 4.382 1.00 0.00 C ATOM 1575 NE2 HIS A 98 24.384 4.549 5.233 1.00 0.00 N ATOM 0 H HIS A 98 24.698 -0.015 7.755 1.00 0.00 H new ATOM 0 HA HIS A 98 25.498 0.438 4.941 1.00 0.00 H new ATOM 0 HB2 HIS A 98 26.295 1.786 7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 98 27.422 1.723 6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 98 23.885 3.289 6.955 1.00 0.00 H new ATOM 0 HE1 HIS A 98 25.532 5.225 3.562 1.00 0.00 H new ATOM 0 HE2 HIS A 98 23.609 5.212 5.222 1.00 0.00 H new ATOM 1584 N HIS A 99 26.340 -1.903 6.592 1.00 0.00 N ATOM 1585 CA HIS A 99 27.175 -3.095 6.649 1.00 0.00 C ATOM 1586 C HIS A 99 27.603 -3.463 5.230 1.00 0.00 C ATOM 1587 O HIS A 99 28.785 -3.661 4.948 1.00 0.00 O ATOM 1588 CB HIS A 99 26.381 -4.243 7.291 1.00 0.00 C ATOM 1589 CG HIS A 99 27.183 -5.478 7.578 1.00 0.00 C ATOM 1590 ND1 HIS A 99 27.139 -6.606 6.789 1.00 0.00 N ATOM 1591 CD2 HIS A 99 28.021 -5.771 8.599 1.00 0.00 C ATOM 1592 CE1 HIS A 99 27.916 -7.536 7.311 1.00 0.00 C ATOM 1593 NE2 HIS A 99 28.463 -7.056 8.413 1.00 0.00 N ATOM 0 H HIS A 99 25.383 -2.045 6.915 1.00 0.00 H new ATOM 0 HA HIS A 99 28.063 -2.909 7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 99 25.943 -3.886 8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 99 25.555 -4.508 6.631 1.00 0.00 H new ATOM 0 HD2 HIS A 99 28.292 -5.113 9.412 1.00 0.00 H new ATOM 0 HE1 HIS A 99 28.077 -8.524 6.905 1.00 0.00 H new ATOM 0 HE2 HIS A 99 29.107 -7.558 9.024 1.00 0.00 H new ATOM 1602 N HIS A 100 26.613 -3.512 4.351 1.00 0.00 N ATOM 1603 CA HIS A 100 26.800 -3.763 2.928 1.00 0.00 C ATOM 1604 C HIS A 100 25.445 -3.568 2.262 1.00 0.00 C ATOM 1605 O HIS A 100 24.432 -3.772 2.915 1.00 0.00 O ATOM 1606 CB HIS A 100 27.321 -5.190 2.688 1.00 0.00 C ATOM 1607 CG HIS A 100 27.470 -5.556 1.241 1.00 0.00 C ATOM 1608 ND1 HIS A 100 26.463 -6.138 0.504 1.00 0.00 N ATOM 1609 CD2 HIS A 100 28.513 -5.408 0.395 1.00 0.00 C ATOM 1610 CE1 HIS A 100 26.879 -6.329 -0.732 1.00 0.00 C ATOM 1611 NE2 HIS A 100 28.123 -5.893 -0.828 1.00 0.00 N ATOM 0 H HIS A 100 25.636 -3.376 4.612 1.00 0.00 H new ATOM 0 HA HIS A 100 27.540 -3.080 2.511 1.00 0.00 H new ATOM 0 HB2 HIS A 100 28.288 -5.299 3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 100 26.640 -5.897 3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 100 29.477 -4.985 0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 100 26.301 -6.768 -1.532 1.00 0.00 H new ATOM 0 HE2 HIS A 100 28.697 -5.914 -1.671 1.00 0.00 H new ATOM 1620 N HIS A 101 25.421 -3.143 1.003 1.00 0.00 N ATOM 1621 CA HIS A 101 24.154 -2.958 0.295 1.00 0.00 C ATOM 1622 C HIS A 101 23.330 -4.244 0.324 1.00 0.00 C ATOM 1623 O HIS A 101 23.695 -5.202 -0.389 1.00 0.00 O ATOM 1624 CB HIS A 101 24.378 -2.516 -1.158 1.00 0.00 C ATOM 1625 CG HIS A 101 24.775 -1.078 -1.314 1.00 0.00 C ATOM 1626 ND1 HIS A 101 23.922 -0.027 -1.056 1.00 0.00 N ATOM 1627 CD2 HIS A 101 25.935 -0.521 -1.730 1.00 0.00 C ATOM 1628 CE1 HIS A 101 24.541 1.112 -1.308 1.00 0.00 C ATOM 1629 NE2 HIS A 101 25.763 0.843 -1.719 1.00 0.00 N ATOM 1630 OXT HIS A 101 22.327 -4.292 1.072 1.00 0.00 O ATOM 0 H HIS A 101 26.252 -2.922 0.455 1.00 0.00 H new ATOM 0 HA HIS A 101 23.606 -2.169 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 101 25.151 -3.144 -1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 101 23.463 -2.691 -1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 101 26.831 -1.050 -2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 101 24.116 2.099 -1.196 1.00 0.00 H new ATOM 0 HE2 HIS A 101 26.466 1.533 -1.985 1.00 0.00 H new TER 1639 HIS A 101