USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 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 62 GLN : amide:sc= -0.672 K(o=-1.3,f=0) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.65 K(o=-1.3,f=0) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -7.21! C(o=-7.3!,f=-12!) USER MOD Set 2.2: A 36 MET CE :methyl 146:sc= -0.0666 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.135 (180deg=-0.625) USER MOD Single : A 7 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= 0.271 (180deg=-0.245) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.773 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.327 (180deg=-1.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.362 (180deg=-1.23!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.5) USER MOD Single : A 42 THR OG1 : rot 90:sc= 1.08 USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.338 (180deg=-1.54!) USER MOD Single : A 46 SER OG : rot -9:sc= 0.294 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 153:sc= -0.38 (180deg=-1.56!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 155:sc= -0.346 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.15) USER MOD Single : A 74 ASN : amide:sc= 0.771 K(o=0.77,f=-5.8!) USER MOD Single : A 82 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.86) USER MOD Single : A 87 GLN : amide:sc=-0.00968 K(o=-0.0097,f=-1.2) USER MOD Single : A 88 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.9!) USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -0.957 (180deg=-1.72!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.131 -0.238 14.597 1.00 0.00 N ATOM 2 CA MET A 1 -5.778 1.187 14.824 1.00 0.00 C ATOM 3 C MET A 1 -5.199 1.820 13.561 1.00 0.00 C ATOM 4 O MET A 1 -4.560 1.144 12.754 1.00 0.00 O ATOM 5 CB MET A 1 -4.764 1.261 15.968 1.00 0.00 C ATOM 6 CG MET A 1 -5.181 2.203 17.088 1.00 0.00 C ATOM 7 SD MET A 1 -4.729 1.586 18.720 1.00 0.00 S ATOM 8 CE MET A 1 -6.344 1.403 19.472 1.00 0.00 C ATOM 0 H1 MET A 1 -6.522 -0.642 15.472 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.839 -0.304 13.838 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.279 -0.767 14.322 1.00 0.00 H new ATOM 0 HA MET A 1 -6.679 1.743 15.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.618 0.262 16.379 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.802 1.585 15.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.716 3.176 16.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.260 2.354 17.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.231 1.028 20.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.846 2.370 19.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.939 0.699 18.890 1.00 0.00 H new ATOM 20 N LYS A 2 -5.430 3.118 13.396 1.00 0.00 N ATOM 21 CA LYS A 2 -4.932 3.841 12.231 1.00 0.00 C ATOM 22 C LYS A 2 -4.873 5.341 12.507 1.00 0.00 C ATOM 23 O LYS A 2 -5.904 6.009 12.574 1.00 0.00 O ATOM 24 CB LYS A 2 -5.822 3.567 11.018 1.00 0.00 C ATOM 25 CG LYS A 2 -7.308 3.639 11.325 1.00 0.00 C ATOM 26 CD LYS A 2 -8.144 3.547 10.058 1.00 0.00 C ATOM 27 CE LYS A 2 -9.631 3.571 10.369 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.457 3.643 9.132 1.00 0.00 N ATOM 0 H LYS A 2 -5.959 3.691 14.054 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.922 3.490 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.586 4.287 10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.589 2.578 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.580 2.829 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.529 4.573 11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.896 4.377 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.898 2.629 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.898 2.677 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.855 4.427 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.465 3.657 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.221 4.509 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.263 2.813 8.536 1.00 0.00 H new ATOM 42 N LYS A 3 -3.659 5.862 12.663 1.00 0.00 N ATOM 43 CA LYS A 3 -3.468 7.283 12.930 1.00 0.00 C ATOM 44 C LYS A 3 -2.758 7.968 11.765 1.00 0.00 C ATOM 45 O LYS A 3 -2.040 8.949 11.955 1.00 0.00 O ATOM 46 CB LYS A 3 -2.666 7.477 14.217 1.00 0.00 C ATOM 47 CG LYS A 3 -3.321 6.857 15.443 1.00 0.00 C ATOM 48 CD LYS A 3 -3.578 7.893 16.527 1.00 0.00 C ATOM 49 CE LYS A 3 -4.931 7.686 17.190 1.00 0.00 C ATOM 50 NZ LYS A 3 -4.808 7.519 18.664 1.00 0.00 N ATOM 0 H LYS A 3 -2.795 5.322 12.609 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.451 7.739 13.049 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.675 7.043 14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.526 8.544 14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.263 6.390 15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.681 6.068 15.838 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.791 7.836 17.279 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.533 8.892 16.094 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.575 8.538 16.974 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.413 6.806 16.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.752 7.380 19.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.214 6.691 18.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.372 8.369 19.074 1.00 0.00 H new ATOM 64 N LEU A 4 -2.967 7.446 10.561 1.00 0.00 N ATOM 65 CA LEU A 4 -2.350 8.009 9.365 1.00 0.00 C ATOM 66 C LEU A 4 -3.409 8.603 8.442 1.00 0.00 C ATOM 67 O LEU A 4 -4.602 8.356 8.613 1.00 0.00 O ATOM 68 CB LEU A 4 -1.551 6.935 8.621 1.00 0.00 C ATOM 69 CG LEU A 4 -0.119 6.732 9.120 1.00 0.00 C ATOM 70 CD1 LEU A 4 0.430 5.400 8.632 1.00 0.00 C ATOM 71 CD2 LEU A 4 0.772 7.877 8.664 1.00 0.00 C ATOM 0 H LEU A 4 -3.559 6.634 10.387 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.671 8.804 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.084 5.988 8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.518 7.196 7.563 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.131 6.721 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.449 5.271 8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.194 4.589 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.429 5.383 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.787 7.716 9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.780 7.920 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.389 8.817 9.062 1.00 0.00 H new ATOM 83 N LYS A 5 -2.967 9.385 7.462 1.00 0.00 N ATOM 84 CA LYS A 5 -3.887 10.009 6.518 1.00 0.00 C ATOM 85 C LYS A 5 -3.134 10.688 5.377 1.00 0.00 C ATOM 86 O LYS A 5 -3.453 10.488 4.206 1.00 0.00 O ATOM 87 CB LYS A 5 -4.774 11.026 7.235 1.00 0.00 C ATOM 88 CG LYS A 5 -6.190 11.092 6.688 1.00 0.00 C ATOM 89 CD LYS A 5 -7.045 12.080 7.465 1.00 0.00 C ATOM 90 CE LYS A 5 -7.139 13.418 6.746 1.00 0.00 C ATOM 91 NZ LYS A 5 -8.502 14.008 6.852 1.00 0.00 N ATOM 0 H LYS A 5 -1.983 9.601 7.301 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.513 9.224 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.814 10.776 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.317 12.013 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.162 11.382 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.645 10.102 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.045 11.668 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.621 12.228 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.410 14.109 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.881 13.285 5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.526 14.918 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.195 13.360 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.738 14.159 7.854 1.00 0.00 H new ATOM 105 N LYS A 6 -2.136 11.497 5.724 1.00 0.00 N ATOM 106 CA LYS A 6 -1.350 12.206 4.722 1.00 0.00 C ATOM 107 C LYS A 6 -0.211 12.998 5.374 1.00 0.00 C ATOM 108 O LYS A 6 0.322 12.586 6.405 1.00 0.00 O ATOM 109 CB LYS A 6 -2.260 13.136 3.912 1.00 0.00 C ATOM 110 CG LYS A 6 -1.892 13.219 2.440 1.00 0.00 C ATOM 111 CD LYS A 6 -2.578 14.394 1.760 1.00 0.00 C ATOM 112 CE LYS A 6 -2.005 14.648 0.376 1.00 0.00 C ATOM 113 NZ LYS A 6 -0.536 14.889 0.417 1.00 0.00 N ATOM 0 H LYS A 6 -1.854 11.676 6.688 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.902 11.474 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.290 12.790 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.221 14.136 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.811 13.319 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.174 12.292 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.647 14.197 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.463 15.288 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.214 13.792 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.502 15.510 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.238 15.365 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.306 15.490 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.037 13.980 0.504 1.00 0.00 H new ATOM 127 N HIS A 7 0.161 14.129 4.769 1.00 0.00 N ATOM 128 CA HIS A 7 1.236 14.973 5.289 1.00 0.00 C ATOM 129 C HIS A 7 2.602 14.345 5.018 1.00 0.00 C ATOM 130 O HIS A 7 2.733 13.123 4.953 1.00 0.00 O ATOM 131 CB HIS A 7 1.056 15.225 6.793 1.00 0.00 C ATOM 132 CG HIS A 7 0.759 16.654 7.125 1.00 0.00 C ATOM 133 ND1 HIS A 7 1.204 17.267 8.277 1.00 0.00 N ATOM 134 CD2 HIS A 7 0.054 17.593 6.449 1.00 0.00 C ATOM 135 CE1 HIS A 7 0.784 18.521 8.297 1.00 0.00 C ATOM 136 NE2 HIS A 7 0.085 18.742 7.198 1.00 0.00 N ATOM 0 H HIS A 7 -0.270 14.481 3.914 1.00 0.00 H new ATOM 0 HA HIS A 7 1.187 15.930 4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.246 14.597 7.165 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.962 14.919 7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.440 17.461 5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.979 19.241 9.078 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.360 19.625 6.947 1.00 0.00 H new ATOM 145 N PRO A 8 3.642 15.183 4.852 1.00 0.00 N ATOM 146 CA PRO A 8 5.006 14.712 4.581 1.00 0.00 C ATOM 147 C PRO A 8 5.545 13.822 5.697 1.00 0.00 C ATOM 148 O PRO A 8 6.403 12.971 5.464 1.00 0.00 O ATOM 149 CB PRO A 8 5.829 16.003 4.480 1.00 0.00 C ATOM 150 CG PRO A 8 5.001 17.048 5.145 1.00 0.00 C ATOM 151 CD PRO A 8 3.572 16.652 4.912 1.00 0.00 C ATOM 0 HA PRO A 8 5.048 14.099 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.795 15.894 4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.029 16.262 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.222 17.102 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.206 18.033 4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.922 16.993 5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.181 17.076 3.987 1.00 0.00 H new ATOM 159 N ASP A 9 5.040 14.023 6.909 1.00 0.00 N ATOM 160 CA ASP A 9 5.473 13.234 8.054 1.00 0.00 C ATOM 161 C ASP A 9 5.019 11.785 7.910 1.00 0.00 C ATOM 162 O ASP A 9 4.045 11.365 8.535 1.00 0.00 O ATOM 163 CB ASP A 9 4.922 13.828 9.351 1.00 0.00 C ATOM 164 CG ASP A 9 5.866 13.639 10.522 1.00 0.00 C ATOM 165 OD1 ASP A 9 5.764 12.597 11.205 1.00 0.00 O ATOM 166 OD2 ASP A 9 6.707 14.532 10.757 1.00 0.00 O ATOM 0 H ASP A 9 4.331 14.725 7.123 1.00 0.00 H new ATOM 0 HA ASP A 9 6.562 13.257 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.733 14.892 9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.964 13.363 9.582 1.00 0.00 H new ATOM 171 N PHE A 10 5.725 11.029 7.077 1.00 0.00 N ATOM 172 CA PHE A 10 5.388 9.630 6.844 1.00 0.00 C ATOM 173 C PHE A 10 3.983 9.506 6.260 1.00 0.00 C ATOM 174 O PHE A 10 3.060 9.043 6.928 1.00 0.00 O ATOM 175 CB PHE A 10 5.487 8.835 8.149 1.00 0.00 C ATOM 176 CG PHE A 10 6.883 8.384 8.472 1.00 0.00 C ATOM 177 CD1 PHE A 10 7.812 9.276 8.982 1.00 0.00 C ATOM 178 CD2 PHE A 10 7.264 7.068 8.268 1.00 0.00 C ATOM 179 CE1 PHE A 10 9.098 8.864 9.279 1.00 0.00 C ATOM 180 CE2 PHE A 10 8.549 6.650 8.564 1.00 0.00 C ATOM 181 CZ PHE A 10 9.466 7.549 9.070 1.00 0.00 C ATOM 0 H PHE A 10 6.534 11.361 6.552 1.00 0.00 H new ATOM 0 HA PHE A 10 6.099 9.221 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.113 9.449 8.968 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.838 7.962 8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.529 10.305 9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.550 6.360 7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.814 9.569 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.834 5.621 8.399 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.470 7.225 9.302 1.00 0.00 H new ATOM 191 N PRO A 11 3.804 9.928 4.996 1.00 0.00 N ATOM 192 CA PRO A 11 2.504 9.869 4.320 1.00 0.00 C ATOM 193 C PRO A 11 2.065 8.440 4.029 1.00 0.00 C ATOM 194 O PRO A 11 2.653 7.483 4.532 1.00 0.00 O ATOM 195 CB PRO A 11 2.742 10.632 3.015 1.00 0.00 C ATOM 196 CG PRO A 11 4.207 10.511 2.770 1.00 0.00 C ATOM 197 CD PRO A 11 4.851 10.499 4.129 1.00 0.00 C ATOM 0 HA PRO A 11 1.709 10.290 4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.166 10.203 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.440 11.675 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.437 9.598 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.573 11.345 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.757 9.893 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.135 11.502 4.448 1.00 0.00 H new ATOM 205 N LYS A 12 1.029 8.303 3.209 1.00 0.00 N ATOM 206 CA LYS A 12 0.508 6.991 2.847 1.00 0.00 C ATOM 207 C LYS A 12 -0.365 7.084 1.600 1.00 0.00 C ATOM 208 O LYS A 12 -0.946 8.129 1.313 1.00 0.00 O ATOM 209 CB LYS A 12 -0.300 6.404 4.006 1.00 0.00 C ATOM 210 CG LYS A 12 -0.338 4.885 4.012 1.00 0.00 C ATOM 211 CD LYS A 12 -1.688 4.364 4.482 1.00 0.00 C ATOM 212 CE LYS A 12 -1.534 3.147 5.377 1.00 0.00 C ATOM 213 NZ LYS A 12 -2.769 2.873 6.162 1.00 0.00 N ATOM 0 H LYS A 12 0.533 9.086 2.782 1.00 0.00 H new ATOM 0 HA LYS A 12 1.352 6.335 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.125 6.752 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.320 6.785 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.131 4.511 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.448 4.503 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.214 5.150 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.301 4.106 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.291 2.277 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.698 3.302 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.622 2.035 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.987 3.693 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.562 2.700 5.512 1.00 0.00 H new ATOM 227 N LYS A 13 -0.454 5.980 0.865 1.00 0.00 N ATOM 228 CA LYS A 13 -1.259 5.936 -0.349 1.00 0.00 C ATOM 229 C LYS A 13 -1.265 4.532 -0.956 1.00 0.00 C ATOM 230 O LYS A 13 -2.327 3.929 -1.109 1.00 0.00 O ATOM 231 CB LYS A 13 -0.758 6.962 -1.371 1.00 0.00 C ATOM 232 CG LYS A 13 -1.619 7.038 -2.623 1.00 0.00 C ATOM 233 CD LYS A 13 -2.358 8.364 -2.716 1.00 0.00 C ATOM 234 CE LYS A 13 -3.251 8.597 -1.506 1.00 0.00 C ATOM 235 NZ LYS A 13 -2.761 9.723 -0.663 1.00 0.00 N ATOM 0 H LYS A 13 0.021 5.106 1.089 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.284 6.191 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.725 7.945 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.264 6.711 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.992 6.908 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.339 6.219 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.637 9.177 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.962 8.381 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.267 8.809 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.295 7.687 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.561 10.149 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.065 9.366 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.314 10.441 -1.268 1.00 0.00 H new ATOM 249 N PRO A 14 -0.085 3.977 -1.304 1.00 0.00 N ATOM 250 CA PRO A 14 -0.001 2.634 -1.883 1.00 0.00 C ATOM 251 C PRO A 14 -0.600 1.582 -0.959 1.00 0.00 C ATOM 252 O PRO A 14 -0.962 1.874 0.179 1.00 0.00 O ATOM 253 CB PRO A 14 1.504 2.395 -2.059 1.00 0.00 C ATOM 254 CG PRO A 14 2.166 3.408 -1.191 1.00 0.00 C ATOM 255 CD PRO A 14 1.246 4.594 -1.163 1.00 0.00 C ATOM 0 HA PRO A 14 -0.559 2.560 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.779 1.383 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.802 2.514 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.327 3.016 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.144 3.682 -1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.336 5.154 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.458 5.290 -1.975 1.00 0.00 H new ATOM 263 N LEU A 15 -0.701 0.355 -1.455 1.00 0.00 N ATOM 264 CA LEU A 15 -1.256 -0.740 -0.667 1.00 0.00 C ATOM 265 C LEU A 15 -0.161 -1.717 -0.262 1.00 0.00 C ATOM 266 O LEU A 15 0.967 -1.640 -0.751 1.00 0.00 O ATOM 267 CB LEU A 15 -2.348 -1.478 -1.449 1.00 0.00 C ATOM 268 CG LEU A 15 -3.043 -0.660 -2.543 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.509 -1.043 -3.914 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.550 -0.858 -2.482 1.00 0.00 C ATOM 0 H LEU A 15 -0.407 0.093 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.700 -0.313 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.907 -2.364 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.103 -1.826 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.829 0.395 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.013 -0.453 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.437 -0.849 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.693 -2.102 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.026 -0.269 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.785 -1.913 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.920 -0.534 -1.509 1.00 0.00 H new ATOM 282 N THR A 16 -0.500 -2.640 0.628 1.00 0.00 N ATOM 283 CA THR A 16 0.454 -3.637 1.093 1.00 0.00 C ATOM 284 C THR A 16 0.617 -4.741 0.056 1.00 0.00 C ATOM 285 O THR A 16 -0.219 -4.889 -0.835 1.00 0.00 O ATOM 286 CB THR A 16 -0.002 -4.232 2.426 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.077 -5.133 2.231 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.452 -3.189 3.424 1.00 0.00 C ATOM 0 H THR A 16 -1.429 -2.719 1.042 1.00 0.00 H new ATOM 0 HA THR A 16 1.417 -3.149 1.239 1.00 0.00 H new ATOM 0 HB THR A 16 0.873 -4.742 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.354 -5.504 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.762 -3.679 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.372 -2.507 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.291 -2.628 3.011 1.00 0.00 H new ATOM 296 N PRO A 17 1.691 -5.541 0.158 1.00 0.00 N ATOM 297 CA PRO A 17 1.938 -6.634 -0.780 1.00 0.00 C ATOM 298 C PRO A 17 0.767 -7.603 -0.819 1.00 0.00 C ATOM 299 O PRO A 17 0.421 -8.137 -1.872 1.00 0.00 O ATOM 300 CB PRO A 17 3.193 -7.322 -0.237 1.00 0.00 C ATOM 301 CG PRO A 17 3.834 -6.321 0.666 1.00 0.00 C ATOM 302 CD PRO A 17 2.732 -5.449 1.195 1.00 0.00 C ATOM 0 HA PRO A 17 2.064 -6.277 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.939 -8.233 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.865 -7.609 -1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.360 -6.817 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.571 -5.728 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.369 -5.802 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.067 -4.421 1.337 1.00 0.00 H new ATOM 310 N TYR A 18 0.147 -7.809 0.339 1.00 0.00 N ATOM 311 CA TYR A 18 -1.002 -8.695 0.438 1.00 0.00 C ATOM 312 C TYR A 18 -2.203 -8.071 -0.264 1.00 0.00 C ATOM 313 O TYR A 18 -3.045 -8.772 -0.825 1.00 0.00 O ATOM 314 CB TYR A 18 -1.337 -8.978 1.906 1.00 0.00 C ATOM 315 CG TYR A 18 -2.533 -9.887 2.094 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.805 -10.906 1.190 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.387 -9.724 3.176 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.896 -11.738 1.360 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.481 -10.552 3.354 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.731 -11.557 2.443 1.00 0.00 C ATOM 321 OH TYR A 18 -5.818 -12.383 2.615 1.00 0.00 O ATOM 0 H TYR A 18 0.423 -7.374 1.219 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.757 -9.639 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.469 -9.430 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.527 -8.033 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.154 -11.051 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.194 -8.938 3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.094 -12.526 0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.136 -10.412 4.202 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.302 -12.122 3.426 1.00 0.00 H new ATOM 331 N PHE A 19 -2.263 -6.740 -0.237 1.00 0.00 N ATOM 332 CA PHE A 19 -3.346 -6.009 -0.879 1.00 0.00 C ATOM 333 C PHE A 19 -3.223 -6.110 -2.395 1.00 0.00 C ATOM 334 O PHE A 19 -4.130 -6.592 -3.071 1.00 0.00 O ATOM 335 CB PHE A 19 -3.332 -4.542 -0.444 1.00 0.00 C ATOM 336 CG PHE A 19 -4.414 -4.200 0.539 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.749 -4.307 0.184 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.099 -3.773 1.819 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.748 -3.994 1.085 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.093 -3.458 2.725 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.420 -3.571 2.358 1.00 0.00 C ATOM 0 H PHE A 19 -1.572 -6.149 0.224 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.293 -6.453 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.363 -4.312 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.438 -3.909 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.012 -4.639 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.063 -3.685 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.785 -4.080 0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.833 -3.124 3.719 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.199 -3.329 3.065 1.00 0.00 H new ATOM 351 N ARG A 20 -2.086 -5.664 -2.922 1.00 0.00 N ATOM 352 CA ARG A 20 -1.840 -5.722 -4.361 1.00 0.00 C ATOM 353 C ARG A 20 -1.886 -7.167 -4.852 1.00 0.00 C ATOM 354 O ARG A 20 -2.098 -7.427 -6.035 1.00 0.00 O ATOM 355 CB ARG A 20 -0.482 -5.098 -4.703 1.00 0.00 C ATOM 356 CG ARG A 20 0.606 -5.403 -3.685 1.00 0.00 C ATOM 357 CD ARG A 20 1.991 -5.336 -4.308 1.00 0.00 C ATOM 358 NE ARG A 20 2.091 -6.164 -5.508 1.00 0.00 N ATOM 359 CZ ARG A 20 2.127 -5.682 -6.750 1.00 0.00 C ATOM 360 NH1 ARG A 20 2.059 -4.374 -6.971 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.227 -6.513 -7.778 1.00 0.00 N ATOM 0 H ARG A 20 -1.324 -5.260 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.623 -5.153 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.163 -5.458 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.599 -4.017 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.543 -4.693 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.443 -6.395 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.226 -4.302 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.733 -5.662 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 20 2.136 -7.176 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.978 -3.728 -6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.087 -4.016 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.276 -7.519 -7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.255 -6.146 -8.729 1.00 0.00 H new ATOM 375 N PHE A 21 -1.688 -8.102 -3.926 1.00 0.00 N ATOM 376 CA PHE A 21 -1.707 -9.526 -4.240 1.00 0.00 C ATOM 377 C PHE A 21 -3.139 -10.042 -4.285 1.00 0.00 C ATOM 378 O PHE A 21 -3.486 -10.899 -5.101 1.00 0.00 O ATOM 379 CB PHE A 21 -0.908 -10.288 -3.181 1.00 0.00 C ATOM 380 CG PHE A 21 -0.837 -11.769 -3.406 1.00 0.00 C ATOM 381 CD1 PHE A 21 0.093 -12.302 -4.279 1.00 0.00 C ATOM 382 CD2 PHE A 21 -1.689 -12.629 -2.732 1.00 0.00 C ATOM 383 CE1 PHE A 21 0.175 -13.664 -4.480 1.00 0.00 C ATOM 384 CE2 PHE A 21 -1.612 -13.995 -2.927 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.678 -14.514 -3.803 1.00 0.00 C ATOM 0 H PHE A 21 -1.511 -7.895 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.255 -9.682 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.106 -9.888 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.353 -10.102 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.764 -11.643 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.421 -12.228 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.906 -14.066 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.281 -14.656 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.615 -15.581 -3.958 1.00 0.00 H new ATOM 395 N PHE A 22 -3.970 -9.499 -3.406 1.00 0.00 N ATOM 396 CA PHE A 22 -5.366 -9.884 -3.330 1.00 0.00 C ATOM 397 C PHE A 22 -6.165 -9.123 -4.378 1.00 0.00 C ATOM 398 O PHE A 22 -6.948 -9.701 -5.130 1.00 0.00 O ATOM 399 CB PHE A 22 -5.895 -9.592 -1.918 1.00 0.00 C ATOM 400 CG PHE A 22 -7.386 -9.711 -1.762 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.237 -8.781 -2.337 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.935 -10.749 -1.025 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.605 -8.885 -2.183 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.303 -10.856 -0.865 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.139 -9.924 -1.445 1.00 0.00 C ATOM 0 H PHE A 22 -3.695 -8.785 -2.732 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.470 -10.951 -3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.416 -10.276 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.594 -8.583 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.825 -7.965 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.286 -11.483 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.257 -8.155 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.718 -11.668 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.209 -10.006 -1.322 1.00 0.00 H new ATOM 415 N MET A 23 -5.944 -7.820 -4.411 1.00 0.00 N ATOM 416 CA MET A 23 -6.618 -6.933 -5.347 1.00 0.00 C ATOM 417 C MET A 23 -6.319 -7.308 -6.800 1.00 0.00 C ATOM 418 O MET A 23 -7.127 -7.047 -7.691 1.00 0.00 O ATOM 419 CB MET A 23 -6.192 -5.489 -5.054 1.00 0.00 C ATOM 420 CG MET A 23 -5.138 -4.934 -6.003 1.00 0.00 C ATOM 421 SD MET A 23 -5.848 -4.248 -7.510 1.00 0.00 S ATOM 422 CE MET A 23 -4.469 -4.416 -8.640 1.00 0.00 C ATOM 0 H MET A 23 -5.291 -7.345 -3.788 1.00 0.00 H new ATOM 0 HA MET A 23 -7.695 -7.033 -5.214 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.073 -4.849 -5.096 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.808 -5.437 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.566 -4.160 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.438 -5.727 -6.265 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.753 -4.033 -9.620 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.618 -3.850 -8.262 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.196 -5.468 -8.726 1.00 0.00 H new ATOM 432 N GLU A 24 -5.154 -7.907 -7.038 1.00 0.00 N ATOM 433 CA GLU A 24 -4.762 -8.295 -8.389 1.00 0.00 C ATOM 434 C GLU A 24 -5.319 -9.666 -8.764 1.00 0.00 C ATOM 435 O GLU A 24 -5.688 -9.898 -9.915 1.00 0.00 O ATOM 436 CB GLU A 24 -3.236 -8.294 -8.518 1.00 0.00 C ATOM 437 CG GLU A 24 -2.553 -9.453 -7.808 1.00 0.00 C ATOM 438 CD GLU A 24 -2.288 -10.627 -8.729 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.010 -10.766 -9.738 1.00 0.00 O ATOM 440 OE2 GLU A 24 -1.356 -11.408 -8.442 1.00 0.00 O ATOM 0 H GLU A 24 -4.469 -8.133 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.182 -7.564 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.971 -8.322 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.849 -7.357 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.610 -9.109 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.176 -9.782 -6.976 1.00 0.00 H new ATOM 447 N LYS A 25 -5.373 -10.572 -7.793 1.00 0.00 N ATOM 448 CA LYS A 25 -5.881 -11.917 -8.040 1.00 0.00 C ATOM 449 C LYS A 25 -7.392 -11.990 -7.871 1.00 0.00 C ATOM 450 O LYS A 25 -8.006 -13.027 -8.125 1.00 0.00 O ATOM 451 CB LYS A 25 -5.203 -12.914 -7.108 1.00 0.00 C ATOM 452 CG LYS A 25 -4.116 -13.704 -7.800 1.00 0.00 C ATOM 453 CD LYS A 25 -2.875 -13.839 -6.931 1.00 0.00 C ATOM 454 CE LYS A 25 -2.731 -15.249 -6.378 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.796 -16.276 -7.456 1.00 0.00 N ATOM 0 H LYS A 25 -5.073 -10.401 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.650 -12.172 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.776 -12.381 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.950 -13.601 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.492 -14.695 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.852 -13.215 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.991 -13.585 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.928 -13.128 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.782 -15.337 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.520 -15.436 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.183 -17.079 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.776 -16.608 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.474 -15.859 -8.353 1.00 0.00 H new ATOM 469 N ARG A 26 -7.988 -10.885 -7.454 1.00 0.00 N ATOM 470 CA ARG A 26 -9.430 -10.827 -7.264 1.00 0.00 C ATOM 471 C ARG A 26 -10.134 -11.011 -8.595 1.00 0.00 C ATOM 472 O ARG A 26 -11.146 -11.704 -8.693 1.00 0.00 O ATOM 473 CB ARG A 26 -9.846 -9.487 -6.645 1.00 0.00 C ATOM 474 CG ARG A 26 -9.962 -9.495 -5.123 1.00 0.00 C ATOM 475 CD ARG A 26 -10.544 -10.797 -4.592 1.00 0.00 C ATOM 476 NE ARG A 26 -11.582 -11.342 -5.463 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.771 -10.772 -5.651 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.084 -9.646 -5.019 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.653 -11.334 -6.467 1.00 0.00 N ATOM 0 H ARG A 26 -7.497 -10.017 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.717 -11.629 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.121 -8.727 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.806 -9.190 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.976 -9.336 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.590 -8.663 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.745 -11.530 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.960 -10.627 -3.599 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.384 -12.212 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.412 -9.213 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.996 -9.215 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.420 -12.202 -6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.564 -10.898 -6.612 1.00 0.00 H new ATOM 493 N ALA A 27 -9.577 -10.383 -9.621 1.00 0.00 N ATOM 494 CA ALA A 27 -10.131 -10.468 -10.965 1.00 0.00 C ATOM 495 C ALA A 27 -10.232 -11.918 -11.413 1.00 0.00 C ATOM 496 O ALA A 27 -11.190 -12.314 -12.077 1.00 0.00 O ATOM 497 CB ALA A 27 -9.264 -9.683 -11.934 1.00 0.00 C ATOM 0 H ALA A 27 -8.739 -9.807 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.133 -10.040 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.685 -9.752 -12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.229 -8.638 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.255 -10.095 -11.935 1.00 0.00 H new ATOM 503 N LYS A 28 -9.230 -12.704 -11.042 1.00 0.00 N ATOM 504 CA LYS A 28 -9.192 -14.118 -11.400 1.00 0.00 C ATOM 505 C LYS A 28 -10.129 -14.947 -10.521 1.00 0.00 C ATOM 506 O LYS A 28 -10.399 -16.112 -10.816 1.00 0.00 O ATOM 507 CB LYS A 28 -7.763 -14.655 -11.283 1.00 0.00 C ATOM 508 CG LYS A 28 -6.914 -14.413 -12.521 1.00 0.00 C ATOM 509 CD LYS A 28 -7.457 -15.158 -13.732 1.00 0.00 C ATOM 510 CE LYS A 28 -7.559 -16.652 -13.472 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.229 -17.450 -14.684 1.00 0.00 N ATOM 0 H LYS A 28 -8.431 -12.387 -10.493 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.531 -14.206 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.279 -14.189 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.802 -15.726 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.881 -13.345 -12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.890 -14.731 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.440 -14.765 -13.990 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.808 -14.981 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.884 -16.926 -12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.569 -16.895 -13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.310 -18.463 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.889 -17.207 -15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.256 -17.238 -14.985 1.00 0.00 H new ATOM 525 N TYR A 29 -10.619 -14.346 -9.438 1.00 0.00 N ATOM 526 CA TYR A 29 -11.518 -15.039 -8.521 1.00 0.00 C ATOM 527 C TYR A 29 -12.969 -14.647 -8.765 1.00 0.00 C ATOM 528 O TYR A 29 -13.877 -15.458 -8.591 1.00 0.00 O ATOM 529 CB TYR A 29 -11.134 -14.735 -7.077 1.00 0.00 C ATOM 530 CG TYR A 29 -9.863 -15.411 -6.638 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.701 -16.784 -6.757 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.823 -14.670 -6.105 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.533 -17.400 -6.355 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.654 -15.274 -5.702 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.512 -16.640 -5.826 1.00 0.00 C ATOM 536 OH TYR A 29 -6.345 -17.247 -5.423 1.00 0.00 O ATOM 0 H TYR A 29 -10.408 -13.383 -9.176 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.420 -16.109 -8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.022 -13.657 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.947 -15.046 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.501 -17.380 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.930 -13.600 -6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.420 -18.469 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.851 -14.681 -5.290 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.728 -16.570 -5.075 1.00 0.00 H new ATOM 546 N ALA A 30 -13.182 -13.403 -9.181 1.00 0.00 N ATOM 547 CA ALA A 30 -14.525 -12.918 -9.458 1.00 0.00 C ATOM 548 C ALA A 30 -15.072 -13.581 -10.713 1.00 0.00 C ATOM 549 O ALA A 30 -16.271 -13.538 -10.988 1.00 0.00 O ATOM 550 CB ALA A 30 -14.516 -11.406 -9.616 1.00 0.00 C ATOM 0 H ALA A 30 -12.443 -12.716 -9.333 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.172 -13.174 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.527 -11.056 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.154 -10.946 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.860 -11.130 -10.442 1.00 0.00 H new ATOM 556 N LYS A 31 -14.170 -14.193 -11.469 1.00 0.00 N ATOM 557 CA LYS A 31 -14.526 -14.872 -12.703 1.00 0.00 C ATOM 558 C LYS A 31 -14.413 -16.386 -12.545 1.00 0.00 C ATOM 559 O LYS A 31 -15.098 -17.147 -13.229 1.00 0.00 O ATOM 560 CB LYS A 31 -13.608 -14.389 -13.821 1.00 0.00 C ATOM 561 CG LYS A 31 -14.346 -13.700 -14.957 1.00 0.00 C ATOM 562 CD LYS A 31 -13.804 -12.303 -15.207 1.00 0.00 C ATOM 563 CE LYS A 31 -14.183 -11.797 -16.590 1.00 0.00 C ATOM 564 NZ LYS A 31 -13.850 -12.786 -17.653 1.00 0.00 N ATOM 0 H LYS A 31 -13.176 -14.232 -11.244 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.562 -14.638 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.873 -13.700 -13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.056 -15.240 -14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.254 -14.295 -15.866 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.408 -13.642 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.191 -11.621 -14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.719 -12.309 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.251 -11.580 -16.617 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.662 -10.860 -16.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.698 -12.289 -18.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.984 -13.299 -17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.634 -13.461 -17.757 1.00 0.00 H new ATOM 578 N LEU A 32 -13.533 -16.814 -11.646 1.00 0.00 N ATOM 579 CA LEU A 32 -13.313 -18.235 -11.401 1.00 0.00 C ATOM 580 C LEU A 32 -14.211 -18.770 -10.284 1.00 0.00 C ATOM 581 O LEU A 32 -14.189 -19.964 -9.987 1.00 0.00 O ATOM 582 CB LEU A 32 -11.846 -18.482 -11.049 1.00 0.00 C ATOM 583 CG LEU A 32 -11.454 -19.954 -10.896 1.00 0.00 C ATOM 584 CD1 LEU A 32 -10.399 -20.339 -11.923 1.00 0.00 C ATOM 585 CD2 LEU A 32 -10.950 -20.230 -9.485 1.00 0.00 C ATOM 0 H LEU A 32 -12.959 -16.195 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.569 -18.769 -12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.222 -18.035 -11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.620 -17.963 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.341 -20.563 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.135 -21.389 -11.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.794 -20.182 -12.927 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.512 -19.722 -11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.676 -21.281 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.077 -19.609 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.735 -19.997 -8.766 1.00 0.00 H new ATOM 597 N HIS A 33 -15.000 -17.893 -9.666 1.00 0.00 N ATOM 598 CA HIS A 33 -15.895 -18.310 -8.589 1.00 0.00 C ATOM 599 C HIS A 33 -17.358 -18.094 -8.973 1.00 0.00 C ATOM 600 O HIS A 33 -18.090 -17.379 -8.285 1.00 0.00 O ATOM 601 CB HIS A 33 -15.571 -17.554 -7.295 1.00 0.00 C ATOM 602 CG HIS A 33 -14.322 -18.034 -6.624 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.294 -18.491 -5.321 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.050 -18.130 -7.082 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.059 -18.845 -5.008 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.287 -18.636 -6.058 1.00 0.00 N ATOM 0 H HIS A 33 -15.038 -16.899 -9.890 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.740 -19.376 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.469 -16.492 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.408 -17.655 -6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.702 -17.859 -8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.737 -19.238 -4.055 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.285 -18.821 -6.102 1.00 0.00 H new ATOM 615 N PRO A 34 -17.809 -18.716 -10.077 1.00 0.00 N ATOM 616 CA PRO A 34 -19.194 -18.592 -10.543 1.00 0.00 C ATOM 617 C PRO A 34 -20.171 -19.316 -9.626 1.00 0.00 C ATOM 618 O PRO A 34 -21.325 -18.909 -9.482 1.00 0.00 O ATOM 619 CB PRO A 34 -19.166 -19.252 -11.922 1.00 0.00 C ATOM 620 CG PRO A 34 -18.042 -20.225 -11.848 1.00 0.00 C ATOM 621 CD PRO A 34 -17.010 -19.593 -10.956 1.00 0.00 C ATOM 0 HA PRO A 34 -19.530 -17.555 -10.562 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.109 -19.752 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.003 -18.517 -12.710 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.377 -21.180 -11.442 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.633 -20.426 -12.838 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.460 -20.341 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.276 -19.027 -11.529 1.00 0.00 H new ATOM 629 N GLU A 35 -19.700 -20.393 -9.005 1.00 0.00 N ATOM 630 CA GLU A 35 -20.528 -21.178 -8.097 1.00 0.00 C ATOM 631 C GLU A 35 -20.072 -20.994 -6.653 1.00 0.00 C ATOM 632 O GLU A 35 -20.350 -21.830 -5.792 1.00 0.00 O ATOM 633 CB GLU A 35 -20.479 -22.658 -8.477 1.00 0.00 C ATOM 634 CG GLU A 35 -20.667 -22.913 -9.962 1.00 0.00 C ATOM 635 CD GLU A 35 -20.087 -24.241 -10.407 1.00 0.00 C ATOM 636 OE1 GLU A 35 -20.753 -25.277 -10.207 1.00 0.00 O ATOM 637 OE2 GLU A 35 -18.963 -24.243 -10.954 1.00 0.00 O ATOM 0 H GLU A 35 -18.748 -20.742 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.556 -20.825 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.521 -23.073 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.253 -23.192 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.731 -22.889 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.196 -22.108 -10.527 1.00 0.00 H new ATOM 644 N MET A 36 -19.374 -19.893 -6.395 1.00 0.00 N ATOM 645 CA MET A 36 -18.881 -19.592 -5.057 1.00 0.00 C ATOM 646 C MET A 36 -19.073 -18.115 -4.735 1.00 0.00 C ATOM 647 O MET A 36 -19.802 -17.407 -5.432 1.00 0.00 O ATOM 648 CB MET A 36 -17.402 -19.967 -4.935 1.00 0.00 C ATOM 649 CG MET A 36 -17.065 -21.320 -5.537 1.00 0.00 C ATOM 650 SD MET A 36 -15.673 -22.120 -4.714 1.00 0.00 S ATOM 651 CE MET A 36 -14.355 -21.800 -5.883 1.00 0.00 C ATOM 0 H MET A 36 -19.137 -19.193 -7.098 1.00 0.00 H new ATOM 0 HA MET A 36 -19.454 -20.183 -4.342 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.800 -19.201 -5.424 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.122 -19.968 -3.882 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.939 -21.968 -5.476 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.834 -21.195 -6.595 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.418 -21.658 -5.345 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.258 -22.646 -6.563 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.585 -20.900 -6.454 1.00 0.00 H new ATOM 661 N SER A 37 -18.415 -17.652 -3.678 1.00 0.00 N ATOM 662 CA SER A 37 -18.515 -16.258 -3.270 1.00 0.00 C ATOM 663 C SER A 37 -17.133 -15.670 -3.002 1.00 0.00 C ATOM 664 O SER A 37 -16.150 -16.400 -2.887 1.00 0.00 O ATOM 665 CB SER A 37 -19.386 -16.131 -2.017 1.00 0.00 C ATOM 666 OG SER A 37 -18.883 -16.936 -0.964 1.00 0.00 O ATOM 0 H SER A 37 -17.807 -18.222 -3.089 1.00 0.00 H new ATOM 0 HA SER A 37 -18.978 -15.700 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.421 -15.089 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.409 -16.428 -2.249 1.00 0.00 H new ATOM 0 HG SER A 37 -19.455 -16.837 -0.174 1.00 0.00 H new ATOM 672 N ASN A 38 -17.070 -14.346 -2.898 1.00 0.00 N ATOM 673 CA ASN A 38 -15.811 -13.657 -2.637 1.00 0.00 C ATOM 674 C ASN A 38 -15.166 -14.162 -1.350 1.00 0.00 C ATOM 675 O ASN A 38 -13.965 -13.995 -1.140 1.00 0.00 O ATOM 676 CB ASN A 38 -16.045 -12.150 -2.540 1.00 0.00 C ATOM 677 CG ASN A 38 -16.701 -11.585 -3.784 1.00 0.00 C ATOM 678 OD1 ASN A 38 -16.024 -11.207 -4.740 1.00 0.00 O ATOM 679 ND2 ASN A 38 -18.027 -11.520 -3.777 1.00 0.00 N ATOM 0 H ASN A 38 -17.877 -13.729 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.135 -13.865 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.672 -11.938 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.092 -11.647 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.524 -11.146 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -18.549 -11.845 -2.963 1.00 0.00 H new ATOM 686 N LEU A 39 -15.969 -14.780 -0.492 1.00 0.00 N ATOM 687 CA LEU A 39 -15.473 -15.309 0.772 1.00 0.00 C ATOM 688 C LEU A 39 -14.570 -16.514 0.537 1.00 0.00 C ATOM 689 O LEU A 39 -13.544 -16.673 1.199 1.00 0.00 O ATOM 690 CB LEU A 39 -16.639 -15.696 1.682 1.00 0.00 C ATOM 691 CG LEU A 39 -17.142 -14.580 2.600 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.555 -13.363 1.785 1.00 0.00 C ATOM 693 CD2 LEU A 39 -18.305 -15.072 3.450 1.00 0.00 C ATOM 0 H LEU A 39 -16.966 -14.927 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.888 -14.529 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.468 -16.036 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.334 -16.542 2.298 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.328 -14.289 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.910 -12.580 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.698 -12.996 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.353 -13.640 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.650 -14.265 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.121 -15.391 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.978 -15.913 4.062 1.00 0.00 H new ATOM 705 N ASP A 40 -14.956 -17.359 -0.414 1.00 0.00 N ATOM 706 CA ASP A 40 -14.179 -18.548 -0.739 1.00 0.00 C ATOM 707 C ASP A 40 -12.803 -18.166 -1.273 1.00 0.00 C ATOM 708 O ASP A 40 -11.781 -18.672 -0.807 1.00 0.00 O ATOM 709 CB ASP A 40 -14.920 -19.403 -1.769 1.00 0.00 C ATOM 710 CG ASP A 40 -15.852 -20.408 -1.123 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.695 -19.993 -0.299 1.00 0.00 O ATOM 712 OD2 ASP A 40 -15.740 -21.611 -1.439 1.00 0.00 O ATOM 0 H ASP A 40 -15.802 -17.242 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.048 -19.128 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.493 -18.754 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.195 -19.930 -2.389 1.00 0.00 H new ATOM 717 N LEU A 41 -12.785 -17.274 -2.258 1.00 0.00 N ATOM 718 CA LEU A 41 -11.537 -16.823 -2.861 1.00 0.00 C ATOM 719 C LEU A 41 -10.684 -16.054 -1.854 1.00 0.00 C ATOM 720 O LEU A 41 -9.455 -16.085 -1.920 1.00 0.00 O ATOM 721 CB LEU A 41 -11.815 -15.951 -4.088 1.00 0.00 C ATOM 722 CG LEU A 41 -13.049 -15.046 -3.990 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.670 -13.595 -4.234 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.118 -15.491 -4.979 1.00 0.00 C ATOM 0 H LEU A 41 -13.622 -16.849 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.982 -17.707 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.942 -15.326 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.931 -16.601 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.455 -15.130 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.559 -12.969 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.941 -13.279 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.237 -13.494 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.986 -14.837 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.721 -15.438 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.414 -16.517 -4.758 1.00 0.00 H new ATOM 736 N THR A 42 -11.339 -15.366 -0.922 1.00 0.00 N ATOM 737 CA THR A 42 -10.630 -14.595 0.096 1.00 0.00 C ATOM 738 C THR A 42 -9.678 -15.489 0.884 1.00 0.00 C ATOM 739 O THR A 42 -8.534 -15.117 1.145 1.00 0.00 O ATOM 740 CB THR A 42 -11.627 -13.920 1.046 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.369 -12.923 0.366 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.974 -13.263 2.243 1.00 0.00 C ATOM 0 H THR A 42 -12.356 -15.326 -0.851 1.00 0.00 H new ATOM 0 HA THR A 42 -10.045 -13.824 -0.406 1.00 0.00 H new ATOM 0 HB THR A 42 -12.270 -14.725 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.182 -13.320 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.740 -12.806 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.433 -14.013 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.279 -12.496 1.903 1.00 0.00 H new ATOM 750 N LYS A 43 -10.154 -16.675 1.251 1.00 0.00 N ATOM 751 CA LYS A 43 -9.336 -17.623 2.001 1.00 0.00 C ATOM 752 C LYS A 43 -8.122 -18.032 1.177 1.00 0.00 C ATOM 753 O LYS A 43 -7.017 -18.175 1.702 1.00 0.00 O ATOM 754 CB LYS A 43 -10.150 -18.869 2.378 1.00 0.00 C ATOM 755 CG LYS A 43 -11.617 -18.590 2.670 1.00 0.00 C ATOM 756 CD LYS A 43 -11.787 -17.451 3.663 1.00 0.00 C ATOM 757 CE LYS A 43 -12.868 -17.760 4.688 1.00 0.00 C ATOM 758 NZ LYS A 43 -12.653 -19.083 5.339 1.00 0.00 N ATOM 0 H LYS A 43 -11.098 -17.002 1.043 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.004 -17.135 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.084 -19.592 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.698 -19.333 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.132 -18.343 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.087 -19.491 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.842 -17.268 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.042 -16.536 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.882 -16.979 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.844 -17.749 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.987 -19.044 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.182 -19.814 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.639 -19.316 5.326 1.00 0.00 H new ATOM 772 N ILE A 44 -8.341 -18.211 -0.120 1.00 0.00 N ATOM 773 CA ILE A 44 -7.274 -18.597 -1.037 1.00 0.00 C ATOM 774 C ILE A 44 -6.138 -17.582 -1.011 1.00 0.00 C ATOM 775 O ILE A 44 -4.963 -17.947 -0.965 1.00 0.00 O ATOM 776 CB ILE A 44 -7.798 -18.712 -2.484 1.00 0.00 C ATOM 777 CG1 ILE A 44 -8.996 -19.658 -2.553 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.695 -19.188 -3.418 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.673 -19.661 -3.905 1.00 0.00 C ATOM 0 H ILE A 44 -9.252 -18.094 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.905 -19.568 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.122 -17.722 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.666 -20.670 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.721 -19.372 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.085 -19.263 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.869 -18.477 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.340 -20.166 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.515 -20.353 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.032 -18.658 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.961 -19.975 -4.668 1.00 0.00 H new ATOM 791 N LEU A 45 -6.500 -16.305 -1.051 1.00 0.00 N ATOM 792 CA LEU A 45 -5.518 -15.229 -1.045 1.00 0.00 C ATOM 793 C LEU A 45 -4.871 -15.068 0.328 1.00 0.00 C ATOM 794 O LEU A 45 -3.701 -14.696 0.433 1.00 0.00 O ATOM 795 CB LEU A 45 -6.183 -13.919 -1.472 1.00 0.00 C ATOM 796 CG LEU A 45 -6.607 -13.865 -2.942 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.597 -12.737 -3.177 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.388 -13.705 -3.836 1.00 0.00 C ATOM 0 H LEU A 45 -7.469 -15.990 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.731 -15.486 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.062 -13.754 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.494 -13.097 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.101 -14.804 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.884 -12.718 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.483 -12.896 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.136 -11.786 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.704 -13.668 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.869 -12.781 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.716 -14.551 -3.690 1.00 0.00 H new ATOM 810 N SER A 46 -5.632 -15.362 1.378 1.00 0.00 N ATOM 811 CA SER A 46 -5.122 -15.256 2.741 1.00 0.00 C ATOM 812 C SER A 46 -4.199 -16.422 3.062 1.00 0.00 C ATOM 813 O SER A 46 -3.396 -16.357 3.995 1.00 0.00 O ATOM 814 CB SER A 46 -6.279 -15.210 3.741 1.00 0.00 C ATOM 815 OG SER A 46 -7.019 -16.419 3.721 1.00 0.00 O ATOM 0 H SER A 46 -6.601 -15.674 1.312 1.00 0.00 H new ATOM 0 HA SER A 46 -4.551 -14.331 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.890 -15.035 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.936 -14.374 3.503 1.00 0.00 H new ATOM 0 HG SER A 46 -6.725 -16.970 2.966 1.00 0.00 H new ATOM 821 N LYS A 47 -4.322 -17.487 2.286 1.00 0.00 N ATOM 822 CA LYS A 47 -3.515 -18.675 2.473 1.00 0.00 C ATOM 823 C LYS A 47 -2.264 -18.625 1.604 1.00 0.00 C ATOM 824 O LYS A 47 -1.158 -18.888 2.073 1.00 0.00 O ATOM 825 CB LYS A 47 -4.352 -19.899 2.120 1.00 0.00 C ATOM 826 CG LYS A 47 -4.095 -21.092 3.019 1.00 0.00 C ATOM 827 CD LYS A 47 -4.479 -20.799 4.462 1.00 0.00 C ATOM 828 CE LYS A 47 -5.828 -21.406 4.813 1.00 0.00 C ATOM 829 NZ LYS A 47 -5.910 -21.780 6.252 1.00 0.00 N ATOM 0 H LYS A 47 -4.983 -17.549 1.512 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.196 -18.731 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.408 -19.634 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.148 -20.182 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.663 -21.950 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.041 -21.364 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.715 -21.196 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.512 -19.721 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.619 -20.694 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.000 -22.289 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.845 -22.190 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.171 -22.478 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.771 -20.933 6.839 1.00 0.00 H new ATOM 843 N LYS A 48 -2.450 -18.287 0.331 1.00 0.00 N ATOM 844 CA LYS A 48 -1.342 -18.204 -0.613 1.00 0.00 C ATOM 845 C LYS A 48 -0.262 -17.245 -0.120 1.00 0.00 C ATOM 846 O LYS A 48 0.917 -17.596 -0.076 1.00 0.00 O ATOM 847 CB LYS A 48 -1.850 -17.757 -1.985 1.00 0.00 C ATOM 848 CG LYS A 48 -1.970 -18.892 -2.989 1.00 0.00 C ATOM 849 CD LYS A 48 -3.420 -19.297 -3.203 1.00 0.00 C ATOM 850 CE LYS A 48 -3.680 -19.698 -4.645 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.570 -21.170 -4.841 1.00 0.00 N ATOM 0 H LYS A 48 -3.361 -18.066 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.900 -19.197 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.825 -17.284 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.175 -17.000 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.533 -18.586 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.399 -19.752 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.668 -20.128 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.074 -18.468 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.675 -19.366 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.968 -19.191 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.754 -21.402 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.612 -21.484 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.266 -21.653 -4.238 1.00 0.00 H new ATOM 865 N TYR A 49 -0.667 -16.030 0.242 1.00 0.00 N ATOM 866 CA TYR A 49 0.266 -15.022 0.719 1.00 0.00 C ATOM 867 C TYR A 49 1.179 -15.557 1.820 1.00 0.00 C ATOM 868 O TYR A 49 2.277 -15.040 2.029 1.00 0.00 O ATOM 869 CB TYR A 49 -0.486 -13.804 1.234 1.00 0.00 C ATOM 870 CG TYR A 49 0.437 -12.661 1.541 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.797 -11.763 0.552 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.967 -12.497 2.808 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.661 -10.721 0.819 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.835 -11.460 3.089 1.00 0.00 C ATOM 875 CZ TYR A 49 2.179 -10.573 2.090 1.00 0.00 C ATOM 876 OH TYR A 49 3.043 -9.538 2.361 1.00 0.00 O ATOM 0 H TYR A 49 -1.639 -15.723 0.213 1.00 0.00 H new ATOM 0 HA TYR A 49 0.890 -14.740 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.218 -13.489 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.040 -14.074 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.396 -11.879 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.698 -13.191 3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.930 -10.025 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.241 -11.344 4.083 1.00 0.00 H new ATOM 0 HH TYR A 49 3.314 -9.576 3.302 1.00 0.00 H new ATOM 886 N LYS A 50 0.723 -16.579 2.532 1.00 0.00 N ATOM 887 CA LYS A 50 1.505 -17.156 3.610 1.00 0.00 C ATOM 888 C LYS A 50 2.115 -18.489 3.174 1.00 0.00 C ATOM 889 O LYS A 50 3.200 -18.862 3.617 1.00 0.00 O ATOM 890 CB LYS A 50 0.608 -17.324 4.849 1.00 0.00 C ATOM 891 CG LYS A 50 0.866 -18.580 5.673 1.00 0.00 C ATOM 892 CD LYS A 50 1.266 -18.241 7.100 1.00 0.00 C ATOM 893 CE LYS A 50 2.609 -17.532 7.149 1.00 0.00 C ATOM 894 NZ LYS A 50 3.467 -18.041 8.255 1.00 0.00 N ATOM 0 H LYS A 50 -0.183 -17.023 2.381 1.00 0.00 H new ATOM 0 HA LYS A 50 2.330 -16.490 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.738 -16.454 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.433 -17.329 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.031 -19.200 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.654 -19.168 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.503 -17.608 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.314 -19.155 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.125 -17.666 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.450 -16.461 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.374 -17.532 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.986 -17.890 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.641 -19.057 8.120 1.00 0.00 H new ATOM 908 N GLU A 51 1.399 -19.203 2.312 1.00 0.00 N ATOM 909 CA GLU A 51 1.854 -20.498 1.821 1.00 0.00 C ATOM 910 C GLU A 51 3.018 -20.362 0.836 1.00 0.00 C ATOM 911 O GLU A 51 3.735 -21.329 0.584 1.00 0.00 O ATOM 912 CB GLU A 51 0.694 -21.240 1.156 1.00 0.00 C ATOM 913 CG GLU A 51 0.665 -22.725 1.466 1.00 0.00 C ATOM 914 CD GLU A 51 0.456 -23.008 2.941 1.00 0.00 C ATOM 915 OE1 GLU A 51 -0.714 -23.037 3.382 1.00 0.00 O ATOM 916 OE2 GLU A 51 1.462 -23.200 3.658 1.00 0.00 O ATOM 0 H GLU A 51 0.498 -18.905 1.938 1.00 0.00 H new ATOM 0 HA GLU A 51 2.213 -21.067 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.246 -20.792 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.758 -21.104 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.133 -23.197 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.602 -23.179 1.142 1.00 0.00 H new ATOM 923 N LEU A 52 3.207 -19.167 0.281 1.00 0.00 N ATOM 924 CA LEU A 52 4.291 -18.944 -0.672 1.00 0.00 C ATOM 925 C LEU A 52 5.648 -19.070 0.005 1.00 0.00 C ATOM 926 O LEU A 52 5.810 -18.722 1.175 1.00 0.00 O ATOM 927 CB LEU A 52 4.155 -17.579 -1.350 1.00 0.00 C ATOM 928 CG LEU A 52 4.482 -16.372 -0.474 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.750 -15.697 -0.962 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.325 -15.392 -0.481 1.00 0.00 C ATOM 0 H LEU A 52 2.631 -18.347 0.472 1.00 0.00 H new ATOM 0 HA LEU A 52 4.220 -19.714 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.808 -17.560 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.133 -17.475 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 52 4.643 -16.714 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.972 -14.838 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.579 -16.404 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.612 -15.363 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.570 -14.535 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.141 -15.053 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.431 -15.882 -0.094 1.00 0.00 H new ATOM 942 N PRO A 53 6.644 -19.582 -0.734 1.00 0.00 N ATOM 943 CA PRO A 53 8.006 -19.772 -0.223 1.00 0.00 C ATOM 944 C PRO A 53 8.712 -18.465 0.093 1.00 0.00 C ATOM 945 O PRO A 53 9.939 -18.385 0.041 1.00 0.00 O ATOM 946 CB PRO A 53 8.744 -20.455 -1.370 1.00 0.00 C ATOM 947 CG PRO A 53 7.907 -20.261 -2.587 1.00 0.00 C ATOM 948 CD PRO A 53 6.499 -20.022 -2.129 1.00 0.00 C ATOM 0 HA PRO A 53 7.985 -20.338 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.734 -20.021 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.887 -21.515 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.269 -19.415 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.957 -21.139 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.006 -19.263 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.898 -20.928 -2.200 1.00 0.00 H new ATOM 956 N GLU A 54 7.942 -17.436 0.392 1.00 0.00 N ATOM 957 CA GLU A 54 8.495 -16.123 0.683 1.00 0.00 C ATOM 958 C GLU A 54 9.375 -15.652 -0.473 1.00 0.00 C ATOM 959 O GLU A 54 10.150 -14.707 -0.326 1.00 0.00 O ATOM 960 CB GLU A 54 9.307 -16.121 1.994 1.00 0.00 C ATOM 961 CG GLU A 54 9.454 -17.484 2.656 1.00 0.00 C ATOM 962 CD GLU A 54 9.768 -17.383 4.135 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.928 -17.072 4.477 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.851 -17.613 4.954 1.00 0.00 O ATOM 0 H GLU A 54 6.924 -17.483 0.440 1.00 0.00 H new ATOM 0 HA GLU A 54 7.658 -15.436 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.301 -15.723 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.831 -15.440 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.532 -18.050 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.246 -18.042 2.157 1.00 0.00 H new ATOM 971 N LYS A 55 9.256 -16.316 -1.627 1.00 0.00 N ATOM 972 CA LYS A 55 10.054 -15.944 -2.788 1.00 0.00 C ATOM 973 C LYS A 55 9.248 -15.095 -3.774 1.00 0.00 C ATOM 974 O LYS A 55 9.800 -14.554 -4.731 1.00 0.00 O ATOM 975 CB LYS A 55 10.601 -17.196 -3.489 1.00 0.00 C ATOM 976 CG LYS A 55 9.607 -17.873 -4.420 1.00 0.00 C ATOM 977 CD LYS A 55 9.798 -17.430 -5.861 1.00 0.00 C ATOM 978 CE LYS A 55 8.917 -18.226 -6.809 1.00 0.00 C ATOM 979 NZ LYS A 55 9.594 -19.459 -7.296 1.00 0.00 N ATOM 0 H LYS A 55 8.623 -17.102 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 55 10.891 -15.343 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.488 -16.921 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.919 -17.913 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.724 -18.955 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.591 -17.641 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.565 -16.369 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.843 -17.552 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.991 -18.497 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.644 -17.602 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.959 -19.973 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.465 -19.200 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.832 -20.067 -6.487 1.00 0.00 H new ATOM 993 N LYS A 56 7.945 -14.971 -3.531 1.00 0.00 N ATOM 994 CA LYS A 56 7.083 -14.173 -4.404 1.00 0.00 C ATOM 995 C LYS A 56 6.819 -12.819 -3.770 1.00 0.00 C ATOM 996 O LYS A 56 6.817 -11.786 -4.439 1.00 0.00 O ATOM 997 CB LYS A 56 5.762 -14.897 -4.673 1.00 0.00 C ATOM 998 CG LYS A 56 5.937 -16.272 -5.299 1.00 0.00 C ATOM 999 CD LYS A 56 4.939 -17.271 -4.734 1.00 0.00 C ATOM 1000 CE LYS A 56 4.293 -18.098 -5.834 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.499 -19.231 -5.285 1.00 0.00 N ATOM 0 H LYS A 56 7.465 -15.408 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 56 7.592 -14.029 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.217 -15.001 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.148 -14.283 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.810 -16.200 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.951 -16.628 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.444 -17.932 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.168 -16.740 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.646 -17.459 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.066 -18.485 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.075 -19.769 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.121 -19.855 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.745 -18.861 -4.671 1.00 0.00 H new ATOM 1015 N LYS A 57 6.607 -12.850 -2.464 1.00 0.00 N ATOM 1016 CA LYS A 57 6.350 -11.650 -1.683 1.00 0.00 C ATOM 1017 C LYS A 57 7.463 -10.633 -1.896 1.00 0.00 C ATOM 1018 O LYS A 57 7.202 -9.448 -2.107 1.00 0.00 O ATOM 1019 CB LYS A 57 6.253 -12.026 -0.208 1.00 0.00 C ATOM 1020 CG LYS A 57 7.442 -12.837 0.263 1.00 0.00 C ATOM 1021 CD LYS A 57 7.329 -13.245 1.722 1.00 0.00 C ATOM 1022 CE LYS A 57 5.959 -13.814 2.071 1.00 0.00 C ATOM 1023 NZ LYS A 57 5.803 -14.018 3.537 1.00 0.00 N ATOM 0 H LYS A 57 6.608 -13.709 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 57 5.411 -11.201 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.176 -11.118 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.339 -12.596 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.535 -13.731 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.353 -12.255 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.094 -13.988 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.530 -12.379 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.183 -13.138 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.817 -14.763 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.859 -14.406 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.528 -14.683 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.913 -13.108 4.028 1.00 0.00 H new ATOM 1037 N MET A 58 8.708 -11.108 -1.859 1.00 0.00 N ATOM 1038 CA MET A 58 9.863 -10.243 -2.066 1.00 0.00 C ATOM 1039 C MET A 58 9.653 -9.375 -3.299 1.00 0.00 C ATOM 1040 O MET A 58 10.154 -8.254 -3.382 1.00 0.00 O ATOM 1041 CB MET A 58 11.129 -11.083 -2.228 1.00 0.00 C ATOM 1042 CG MET A 58 11.850 -11.358 -0.918 1.00 0.00 C ATOM 1043 SD MET A 58 13.460 -12.132 -1.162 1.00 0.00 S ATOM 1044 CE MET A 58 14.198 -11.007 -2.346 1.00 0.00 C ATOM 0 H MET A 58 8.939 -12.086 -1.688 1.00 0.00 H new ATOM 0 HA MET A 58 9.977 -9.598 -1.195 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.867 -12.032 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 58 11.810 -10.571 -2.907 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.980 -10.422 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.231 -12.004 -0.295 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.283 -11.035 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.918 -11.307 -3.356 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.842 -9.994 -2.156 1.00 0.00 H new ATOM 1054 N LYS A 59 8.887 -9.905 -4.246 1.00 0.00 N ATOM 1055 CA LYS A 59 8.579 -9.186 -5.470 1.00 0.00 C ATOM 1056 C LYS A 59 7.531 -8.118 -5.186 1.00 0.00 C ATOM 1057 O LYS A 59 7.664 -6.968 -5.598 1.00 0.00 O ATOM 1058 CB LYS A 59 8.087 -10.170 -6.543 1.00 0.00 C ATOM 1059 CG LYS A 59 6.624 -10.007 -6.927 1.00 0.00 C ATOM 1060 CD LYS A 59 6.224 -10.973 -8.035 1.00 0.00 C ATOM 1061 CE LYS A 59 5.682 -10.238 -9.251 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.655 -10.234 -10.378 1.00 0.00 N ATOM 0 H LYS A 59 8.468 -10.833 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 59 9.478 -8.696 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.699 -10.049 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.244 -11.187 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.997 -10.176 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.445 -8.983 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.087 -11.571 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.469 -11.664 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.753 -10.708 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.441 -9.211 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.247 -9.723 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.532 -9.763 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.866 -11.213 -10.658 1.00 0.00 H new ATOM 1076 N TYR A 60 6.487 -8.521 -4.468 1.00 0.00 N ATOM 1077 CA TYR A 60 5.407 -7.611 -4.107 1.00 0.00 C ATOM 1078 C TYR A 60 5.916 -6.504 -3.196 1.00 0.00 C ATOM 1079 O TYR A 60 5.673 -5.323 -3.445 1.00 0.00 O ATOM 1080 CB TYR A 60 4.280 -8.364 -3.407 1.00 0.00 C ATOM 1081 CG TYR A 60 3.832 -9.605 -4.139 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.743 -9.626 -5.523 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.506 -10.759 -3.442 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.342 -10.763 -6.195 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.103 -11.899 -4.103 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.023 -11.899 -5.480 1.00 0.00 C ATOM 1087 OH TYR A 60 2.624 -13.035 -6.143 1.00 0.00 O ATOM 0 H TYR A 60 6.367 -9.474 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 60 5.025 -7.168 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.608 -8.642 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.427 -7.695 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.992 -8.738 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.569 -10.764 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.278 -10.763 -7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.851 -12.789 -3.545 1.00 0.00 H new ATOM 0 HH TYR A 60 2.817 -13.821 -5.591 1.00 0.00 H new ATOM 1097 N ILE A 61 6.633 -6.886 -2.139 1.00 0.00 N ATOM 1098 CA ILE A 61 7.171 -5.904 -1.208 1.00 0.00 C ATOM 1099 C ILE A 61 8.034 -4.894 -1.959 1.00 0.00 C ATOM 1100 O ILE A 61 8.122 -3.728 -1.577 1.00 0.00 O ATOM 1101 CB ILE A 61 8.003 -6.554 -0.079 1.00 0.00 C ATOM 1102 CG1 ILE A 61 7.092 -7.302 0.899 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.802 -5.493 0.666 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.654 -8.664 0.413 1.00 0.00 C ATOM 0 H ILE A 61 6.851 -7.856 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 61 6.321 -5.403 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 61 8.693 -7.267 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.613 -7.417 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.208 -6.695 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.383 -5.965 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.476 -4.991 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.120 -4.763 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.012 -9.128 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.103 -8.557 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.531 -9.290 0.248 1.00 0.00 H new ATOM 1116 N GLN A 62 8.651 -5.351 -3.044 1.00 0.00 N ATOM 1117 CA GLN A 62 9.482 -4.488 -3.867 1.00 0.00 C ATOM 1118 C GLN A 62 8.598 -3.541 -4.658 1.00 0.00 C ATOM 1119 O GLN A 62 9.002 -2.431 -4.997 1.00 0.00 O ATOM 1120 CB GLN A 62 10.347 -5.319 -4.815 1.00 0.00 C ATOM 1121 CG GLN A 62 11.618 -5.849 -4.172 1.00 0.00 C ATOM 1122 CD GLN A 62 12.785 -4.890 -4.314 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.587 -5.003 -5.240 1.00 0.00 O ATOM 1124 NE2 GLN A 62 12.883 -3.941 -3.392 1.00 0.00 N ATOM 0 H GLN A 62 8.589 -6.315 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 62 10.143 -3.911 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.760 -6.159 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.613 -4.710 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.434 -6.039 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.880 -6.805 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.194 -3.886 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.647 -3.267 -3.433 1.00 0.00 H new ATOM 1133 N ASP A 63 7.373 -3.985 -4.927 1.00 0.00 N ATOM 1134 CA ASP A 63 6.412 -3.175 -5.656 1.00 0.00 C ATOM 1135 C ASP A 63 5.754 -2.178 -4.711 1.00 0.00 C ATOM 1136 O ASP A 63 5.290 -1.117 -5.128 1.00 0.00 O ATOM 1137 CB ASP A 63 5.351 -4.062 -6.312 1.00 0.00 C ATOM 1138 CG ASP A 63 5.587 -4.244 -7.799 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.763 -4.357 -8.204 1.00 0.00 O ATOM 1140 OD2 ASP A 63 4.595 -4.273 -8.559 1.00 0.00 O ATOM 0 H ASP A 63 7.026 -4.903 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 63 6.937 -2.629 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.346 -5.038 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.366 -3.622 -6.155 1.00 0.00 H new ATOM 1145 N PHE A 64 5.721 -2.537 -3.429 1.00 0.00 N ATOM 1146 CA PHE A 64 5.128 -1.693 -2.405 1.00 0.00 C ATOM 1147 C PHE A 64 6.121 -0.631 -1.928 1.00 0.00 C ATOM 1148 O PHE A 64 5.732 0.487 -1.592 1.00 0.00 O ATOM 1149 CB PHE A 64 4.663 -2.569 -1.229 1.00 0.00 C ATOM 1150 CG PHE A 64 5.041 -2.045 0.129 1.00 0.00 C ATOM 1151 CD1 PHE A 64 6.253 -2.391 0.702 1.00 0.00 C ATOM 1152 CD2 PHE A 64 4.184 -1.211 0.829 1.00 0.00 C ATOM 1153 CE1 PHE A 64 6.606 -1.913 1.950 1.00 0.00 C ATOM 1154 CE2 PHE A 64 4.530 -0.731 2.078 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.743 -1.083 2.639 1.00 0.00 C ATOM 0 H PHE A 64 6.103 -3.415 -3.077 1.00 0.00 H new ATOM 0 HA PHE A 64 4.268 -1.173 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.579 -2.671 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.083 -3.568 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.930 -3.041 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.235 -0.933 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.555 -2.188 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.854 -0.082 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.016 -0.710 3.615 1.00 0.00 H new ATOM 1165 N GLN A 65 7.399 -0.995 -1.882 1.00 0.00 N ATOM 1166 CA GLN A 65 8.437 -0.081 -1.423 1.00 0.00 C ATOM 1167 C GLN A 65 8.954 0.817 -2.545 1.00 0.00 C ATOM 1168 O GLN A 65 9.337 1.962 -2.305 1.00 0.00 O ATOM 1169 CB GLN A 65 9.591 -0.866 -0.796 1.00 0.00 C ATOM 1170 CG GLN A 65 10.446 -1.626 -1.796 1.00 0.00 C ATOM 1171 CD GLN A 65 11.854 -1.873 -1.287 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.800 -1.199 -1.691 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.998 -2.846 -0.393 1.00 0.00 N ATOM 0 H GLN A 65 7.740 -1.916 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 65 7.990 0.568 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.227 -0.175 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.184 -1.573 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.972 -2.581 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.494 -1.065 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.185 -3.380 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.921 -3.058 -0.014 1.00 0.00 H new ATOM 1182 N ARG A 66 8.981 0.294 -3.765 1.00 0.00 N ATOM 1183 CA ARG A 66 9.472 1.060 -4.907 1.00 0.00 C ATOM 1184 C ARG A 66 8.517 2.191 -5.289 1.00 0.00 C ATOM 1185 O ARG A 66 8.900 3.116 -6.004 1.00 0.00 O ATOM 1186 CB ARG A 66 9.723 0.142 -6.111 1.00 0.00 C ATOM 1187 CG ARG A 66 8.466 -0.248 -6.882 1.00 0.00 C ATOM 1188 CD ARG A 66 8.687 -0.153 -8.383 1.00 0.00 C ATOM 1189 NE ARG A 66 7.479 -0.479 -9.137 1.00 0.00 N ATOM 1190 CZ ARG A 66 6.483 0.378 -9.348 1.00 0.00 C ATOM 1191 NH1 ARG A 66 6.543 1.610 -8.858 1.00 0.00 N ATOM 1192 NH2 ARG A 66 5.423 0.002 -10.051 1.00 0.00 N ATOM 0 H ARG A 66 8.671 -0.651 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 66 10.417 1.514 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.413 0.639 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.217 -0.765 -5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.176 -1.265 -6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.642 0.404 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.012 0.856 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.490 -0.830 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 66 7.394 -1.419 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.356 1.904 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.776 2.262 -9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.371 -0.944 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.659 0.659 -10.213 1.00 0.00 H new ATOM 1206 N GLU A 67 7.274 2.120 -4.813 1.00 0.00 N ATOM 1207 CA GLU A 67 6.292 3.145 -5.117 1.00 0.00 C ATOM 1208 C GLU A 67 6.300 4.223 -4.034 1.00 0.00 C ATOM 1209 O GLU A 67 5.990 5.384 -4.298 1.00 0.00 O ATOM 1210 CB GLU A 67 4.904 2.496 -5.269 1.00 0.00 C ATOM 1211 CG GLU A 67 3.780 3.206 -4.532 1.00 0.00 C ATOM 1212 CD GLU A 67 2.495 3.250 -5.337 1.00 0.00 C ATOM 1213 OE1 GLU A 67 1.878 2.181 -5.531 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.106 4.353 -5.775 1.00 0.00 O ATOM 0 H GLU A 67 6.930 1.365 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 67 6.545 3.631 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.653 2.453 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.959 1.467 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.594 2.700 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.091 4.223 -4.294 1.00 0.00 H new ATOM 1221 N LYS A 68 6.662 3.831 -2.816 1.00 0.00 N ATOM 1222 CA LYS A 68 6.715 4.767 -1.698 1.00 0.00 C ATOM 1223 C LYS A 68 7.889 5.733 -1.842 1.00 0.00 C ATOM 1224 O LYS A 68 7.990 6.714 -1.106 1.00 0.00 O ATOM 1225 CB LYS A 68 6.818 4.007 -0.373 1.00 0.00 C ATOM 1226 CG LYS A 68 5.558 4.087 0.471 1.00 0.00 C ATOM 1227 CD LYS A 68 5.570 3.060 1.594 1.00 0.00 C ATOM 1228 CE LYS A 68 5.593 3.726 2.962 1.00 0.00 C ATOM 1229 NZ LYS A 68 6.961 3.743 3.549 1.00 0.00 N ATOM 0 H LYS A 68 6.922 2.874 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 68 5.794 5.349 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.041 2.960 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.656 4.404 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.465 5.088 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.685 3.925 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.690 2.422 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.442 2.415 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.223 4.748 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.916 3.198 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.933 4.205 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.305 2.767 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.602 4.269 2.921 1.00 0.00 H new ATOM 1243 N GLN A 69 8.772 5.453 -2.793 1.00 0.00 N ATOM 1244 CA GLN A 69 9.934 6.296 -3.032 1.00 0.00 C ATOM 1245 C GLN A 69 9.605 7.394 -4.038 1.00 0.00 C ATOM 1246 O GLN A 69 10.039 8.536 -3.891 1.00 0.00 O ATOM 1247 CB GLN A 69 11.093 5.447 -3.543 1.00 0.00 C ATOM 1248 CG GLN A 69 12.456 6.089 -3.342 1.00 0.00 C ATOM 1249 CD GLN A 69 12.863 6.149 -1.883 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.494 5.228 -1.365 1.00 0.00 O ATOM 1251 NE2 GLN A 69 12.503 7.236 -1.213 1.00 0.00 N ATOM 0 H GLN A 69 8.704 4.646 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 69 10.222 6.767 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.077 4.483 -3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.947 5.250 -4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.204 5.527 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.442 7.098 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.980 7.975 -1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.749 7.333 -0.228 1.00 0.00 H new ATOM 1260 N GLU A 70 8.833 7.038 -5.060 1.00 0.00 N ATOM 1261 CA GLU A 70 8.441 7.989 -6.092 1.00 0.00 C ATOM 1262 C GLU A 70 7.238 8.810 -5.639 1.00 0.00 C ATOM 1263 O GLU A 70 7.091 9.976 -6.010 1.00 0.00 O ATOM 1264 CB GLU A 70 8.118 7.255 -7.397 1.00 0.00 C ATOM 1265 CG GLU A 70 9.067 7.593 -8.536 1.00 0.00 C ATOM 1266 CD GLU A 70 8.417 8.455 -9.599 1.00 0.00 C ATOM 1267 OE1 GLU A 70 7.467 9.195 -9.266 1.00 0.00 O ATOM 1268 OE2 GLU A 70 8.858 8.393 -10.766 1.00 0.00 O ATOM 0 H GLU A 70 8.466 6.096 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 70 9.276 8.667 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.148 6.180 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.100 7.499 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.939 8.111 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.426 6.670 -8.991 1.00 0.00 H new ATOM 1275 N PHE A 71 6.378 8.194 -4.833 1.00 0.00 N ATOM 1276 CA PHE A 71 5.188 8.866 -4.327 1.00 0.00 C ATOM 1277 C PHE A 71 5.555 9.860 -3.229 1.00 0.00 C ATOM 1278 O PHE A 71 5.095 11.002 -3.232 1.00 0.00 O ATOM 1279 CB PHE A 71 4.184 7.841 -3.794 1.00 0.00 C ATOM 1280 CG PHE A 71 2.957 8.458 -3.181 1.00 0.00 C ATOM 1281 CD1 PHE A 71 1.927 8.927 -3.981 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.838 8.574 -1.806 1.00 0.00 C ATOM 1283 CE1 PHE A 71 0.801 9.497 -3.420 1.00 0.00 C ATOM 1284 CE2 PHE A 71 1.714 9.144 -1.239 1.00 0.00 C ATOM 1285 CZ PHE A 71 0.694 9.605 -2.048 1.00 0.00 C ATOM 0 H PHE A 71 6.484 7.230 -4.517 1.00 0.00 H new ATOM 0 HA PHE A 71 4.730 9.414 -5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.881 7.185 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.677 7.217 -3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.006 8.846 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.633 8.215 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.005 9.858 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.633 9.229 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.186 10.049 -1.608 1.00 0.00 H new ATOM 1295 N GLU A 72 6.383 9.416 -2.290 1.00 0.00 N ATOM 1296 CA GLU A 72 6.811 10.267 -1.184 1.00 0.00 C ATOM 1297 C GLU A 72 7.965 11.183 -1.596 1.00 0.00 C ATOM 1298 O GLU A 72 8.459 11.968 -0.788 1.00 0.00 O ATOM 1299 CB GLU A 72 7.233 9.406 0.009 1.00 0.00 C ATOM 1300 CG GLU A 72 6.151 8.450 0.482 1.00 0.00 C ATOM 1301 CD GLU A 72 6.385 7.958 1.897 1.00 0.00 C ATOM 1302 OE1 GLU A 72 7.073 8.664 2.665 1.00 0.00 O ATOM 1303 OE2 GLU A 72 5.880 6.869 2.239 1.00 0.00 O ATOM 0 H GLU A 72 6.771 8.473 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 72 5.966 10.894 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.119 8.833 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.516 10.058 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.183 8.948 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.106 7.595 -0.193 1.00 0.00 H new ATOM 1310 N ARG A 73 8.393 11.078 -2.852 1.00 0.00 N ATOM 1311 CA ARG A 73 9.488 11.899 -3.356 1.00 0.00 C ATOM 1312 C ARG A 73 9.183 13.388 -3.193 1.00 0.00 C ATOM 1313 O ARG A 73 9.680 14.034 -2.272 1.00 0.00 O ATOM 1314 CB ARG A 73 9.763 11.573 -4.827 1.00 0.00 C ATOM 1315 CG ARG A 73 10.862 12.422 -5.448 1.00 0.00 C ATOM 1316 CD ARG A 73 12.110 11.599 -5.733 1.00 0.00 C ATOM 1317 NE ARG A 73 13.301 12.436 -5.852 1.00 0.00 N ATOM 1318 CZ ARG A 73 13.844 13.100 -4.834 1.00 0.00 C ATOM 1319 NH1 ARG A 73 13.307 13.030 -3.622 1.00 0.00 N ATOM 1320 NH2 ARG A 73 14.928 13.839 -5.029 1.00 0.00 N ATOM 0 H ARG A 73 7.998 10.434 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 73 10.378 11.670 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.037 10.521 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.845 11.710 -5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.499 12.867 -6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.112 13.243 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.256 10.872 -4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.970 11.035 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 73 13.742 12.516 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.473 12.465 -3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.729 13.542 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.345 13.898 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.345 14.348 -4.250 1.00 0.00 H new ATOM 1334 N ASN A 74 8.368 13.926 -4.096 1.00 0.00 N ATOM 1335 CA ASN A 74 8.006 15.339 -4.050 1.00 0.00 C ATOM 1336 C ASN A 74 6.626 15.532 -3.427 1.00 0.00 C ATOM 1337 O ASN A 74 6.359 16.552 -2.791 1.00 0.00 O ATOM 1338 CB ASN A 74 8.030 15.939 -5.458 1.00 0.00 C ATOM 1339 CG ASN A 74 7.159 15.168 -6.430 1.00 0.00 C ATOM 1340 OD1 ASN A 74 7.080 13.941 -6.373 1.00 0.00 O ATOM 1341 ND2 ASN A 74 6.499 15.886 -7.330 1.00 0.00 N ATOM 0 H ASN A 74 7.947 13.407 -4.866 1.00 0.00 H new ATOM 0 HA ASN A 74 8.739 15.854 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.692 16.974 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.056 15.953 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.897 15.422 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.594 16.902 -7.341 1.00 0.00 H new ATOM 1348 N LEU A 75 5.751 14.549 -3.616 1.00 0.00 N ATOM 1349 CA LEU A 75 4.397 14.612 -3.074 1.00 0.00 C ATOM 1350 C LEU A 75 4.416 14.882 -1.572 1.00 0.00 C ATOM 1351 O LEU A 75 3.492 15.485 -1.028 1.00 0.00 O ATOM 1352 CB LEU A 75 3.651 13.307 -3.360 1.00 0.00 C ATOM 1353 CG LEU A 75 2.156 13.466 -3.645 1.00 0.00 C ATOM 1354 CD1 LEU A 75 1.732 12.565 -4.796 1.00 0.00 C ATOM 1355 CD2 LEU A 75 1.340 13.156 -2.398 1.00 0.00 C ATOM 0 H LEU A 75 5.955 13.699 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 75 3.878 15.437 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.119 12.819 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.774 12.641 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 75 1.969 14.501 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.666 12.692 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.293 12.831 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.934 11.525 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.279 13.274 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.533 12.131 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.623 13.841 -1.599 1.00 0.00 H new ATOM 1367 N ALA A 76 5.476 14.432 -0.908 1.00 0.00 N ATOM 1368 CA ALA A 76 5.614 14.627 0.531 1.00 0.00 C ATOM 1369 C ALA A 76 5.762 16.105 0.877 1.00 0.00 C ATOM 1370 O ALA A 76 4.905 16.685 1.545 1.00 0.00 O ATOM 1371 CB ALA A 76 6.805 13.839 1.057 1.00 0.00 C ATOM 0 H ALA A 76 6.251 13.931 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 76 4.706 14.260 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.897 13.993 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.658 12.778 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.714 14.181 0.562 1.00 0.00 H new ATOM 1377 N ARG A 77 6.853 16.709 0.418 1.00 0.00 N ATOM 1378 CA ARG A 77 7.115 18.121 0.681 1.00 0.00 C ATOM 1379 C ARG A 77 6.324 19.024 -0.268 1.00 0.00 C ATOM 1380 O ARG A 77 6.408 20.249 -0.183 1.00 0.00 O ATOM 1381 CB ARG A 77 8.610 18.415 0.548 1.00 0.00 C ATOM 1382 CG ARG A 77 8.988 19.841 0.924 1.00 0.00 C ATOM 1383 CD ARG A 77 9.596 20.592 -0.252 1.00 0.00 C ATOM 1384 NE ARG A 77 10.875 21.208 0.096 1.00 0.00 N ATOM 1385 CZ ARG A 77 11.778 21.598 -0.801 1.00 0.00 C ATOM 1386 NH1 ARG A 77 11.545 21.447 -2.098 1.00 0.00 N ATOM 1387 NH2 ARG A 77 12.917 22.144 -0.399 1.00 0.00 N ATOM 0 H ARG A 77 7.570 16.244 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 77 6.792 18.333 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.165 17.722 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.919 18.226 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.103 20.371 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.698 19.823 1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.739 19.905 -1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.902 21.362 -0.589 1.00 0.00 H new ATOM 0 HE ARG A 77 11.088 21.347 1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.669 21.030 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.241 21.748 -2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.101 22.265 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.609 22.443 -1.086 1.00 0.00 H new ATOM 1401 N PHE A 78 5.556 18.417 -1.170 1.00 0.00 N ATOM 1402 CA PHE A 78 4.759 19.176 -2.128 1.00 0.00 C ATOM 1403 C PHE A 78 3.783 20.109 -1.408 1.00 0.00 C ATOM 1404 O PHE A 78 3.391 21.145 -1.948 1.00 0.00 O ATOM 1405 CB PHE A 78 4.015 18.213 -3.069 1.00 0.00 C ATOM 1406 CG PHE A 78 2.522 18.411 -3.119 1.00 0.00 C ATOM 1407 CD1 PHE A 78 1.709 17.898 -2.122 1.00 0.00 C ATOM 1408 CD2 PHE A 78 1.937 19.107 -4.165 1.00 0.00 C ATOM 1409 CE1 PHE A 78 0.339 18.075 -2.167 1.00 0.00 C ATOM 1410 CE2 PHE A 78 0.568 19.287 -4.216 1.00 0.00 C ATOM 1411 CZ PHE A 78 -0.232 18.771 -3.215 1.00 0.00 C ATOM 0 H PHE A 78 5.469 17.404 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 78 5.426 19.798 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.417 18.327 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.222 17.189 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.150 17.354 -1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.558 19.513 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.284 17.670 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.124 19.830 -5.037 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.302 18.911 -3.252 1.00 0.00 H new ATOM 1421 N ARG A 79 3.392 19.736 -0.194 1.00 0.00 N ATOM 1422 CA ARG A 79 2.460 20.545 0.586 1.00 0.00 C ATOM 1423 C ARG A 79 3.201 21.638 1.361 1.00 0.00 C ATOM 1424 O ARG A 79 3.434 22.727 0.834 1.00 0.00 O ATOM 1425 CB ARG A 79 1.655 19.658 1.540 1.00 0.00 C ATOM 1426 CG ARG A 79 0.324 19.199 0.966 1.00 0.00 C ATOM 1427 CD ARG A 79 -0.646 18.793 2.065 1.00 0.00 C ATOM 1428 NE ARG A 79 -1.977 18.499 1.538 1.00 0.00 N ATOM 1429 CZ ARG A 79 -3.012 18.143 2.297 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -2.874 18.037 3.614 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -4.188 17.893 1.737 1.00 0.00 N ATOM 0 H ARG A 79 3.704 18.883 0.270 1.00 0.00 H new ATOM 0 HA ARG A 79 1.769 21.031 -0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.251 18.783 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.473 20.205 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.113 20.001 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.487 18.357 0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.260 17.916 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.716 19.594 2.801 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.122 18.571 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.972 18.229 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.670 17.764 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.299 17.973 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.981 17.620 2.317 1.00 0.00 H new ATOM 1445 N GLU A 80 3.566 21.352 2.610 1.00 0.00 N ATOM 1446 CA GLU A 80 4.275 22.323 3.437 1.00 0.00 C ATOM 1447 C GLU A 80 5.774 22.028 3.469 1.00 0.00 C ATOM 1448 O GLU A 80 6.544 22.599 2.697 1.00 0.00 O ATOM 1449 CB GLU A 80 3.703 22.331 4.856 1.00 0.00 C ATOM 1450 CG GLU A 80 2.784 23.508 5.134 1.00 0.00 C ATOM 1451 CD GLU A 80 1.331 23.202 4.826 1.00 0.00 C ATOM 1452 OE1 GLU A 80 0.816 22.188 5.341 1.00 0.00 O ATOM 1453 OE2 GLU A 80 0.710 23.977 4.067 1.00 0.00 O ATOM 0 H GLU A 80 3.383 20.459 3.068 1.00 0.00 H new ATOM 0 HA GLU A 80 4.135 23.310 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.154 21.404 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.526 22.347 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.876 23.796 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.105 24.363 4.539 1.00 0.00 H new ATOM 1460 N ASP A 81 6.184 21.136 4.371 1.00 0.00 N ATOM 1461 CA ASP A 81 7.592 20.770 4.503 1.00 0.00 C ATOM 1462 C ASP A 81 7.799 19.845 5.700 1.00 0.00 C ATOM 1463 O ASP A 81 8.321 18.740 5.561 1.00 0.00 O ATOM 1464 CB ASP A 81 8.459 22.023 4.654 1.00 0.00 C ATOM 1465 CG ASP A 81 9.533 22.115 3.587 1.00 0.00 C ATOM 1466 OD1 ASP A 81 9.177 22.155 2.390 1.00 0.00 O ATOM 1467 OD2 ASP A 81 10.728 22.145 3.947 1.00 0.00 O ATOM 0 H ASP A 81 5.561 20.655 5.020 1.00 0.00 H new ATOM 0 HA ASP A 81 7.891 20.241 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.825 22.908 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.928 22.021 5.638 1.00 0.00 H new ATOM 1472 N HIS A 82 7.387 20.310 6.875 1.00 0.00 N ATOM 1473 CA HIS A 82 7.528 19.528 8.099 1.00 0.00 C ATOM 1474 C HIS A 82 6.542 20.006 9.165 1.00 0.00 C ATOM 1475 O HIS A 82 6.640 21.135 9.647 1.00 0.00 O ATOM 1476 CB HIS A 82 8.958 19.630 8.630 1.00 0.00 C ATOM 1477 CG HIS A 82 9.908 18.672 7.980 1.00 0.00 C ATOM 1478 ND1 HIS A 82 11.234 18.969 7.741 1.00 0.00 N ATOM 1479 CD2 HIS A 82 9.719 17.412 7.518 1.00 0.00 C ATOM 1480 CE1 HIS A 82 11.817 17.935 7.160 1.00 0.00 C ATOM 1481 NE2 HIS A 82 10.920 16.978 7.015 1.00 0.00 N ATOM 0 H HIS A 82 6.953 21.224 7.006 1.00 0.00 H new ATOM 0 HA HIS A 82 7.308 18.487 7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.321 20.647 8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.951 19.449 9.705 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.795 16.853 7.541 1.00 0.00 H new ATOM 0 HE1 HIS A 82 12.852 17.882 6.856 1.00 0.00 H new ATOM 0 HE2 HIS A 82 11.091 16.064 6.597 1.00 0.00 H new ATOM 1490 N PRO A 83 5.573 19.154 9.552 1.00 0.00 N ATOM 1491 CA PRO A 83 4.573 19.507 10.565 1.00 0.00 C ATOM 1492 C PRO A 83 5.162 19.567 11.971 1.00 0.00 C ATOM 1493 O PRO A 83 6.358 19.347 12.163 1.00 0.00 O ATOM 1494 CB PRO A 83 3.553 18.372 10.464 1.00 0.00 C ATOM 1495 CG PRO A 83 4.329 17.212 9.949 1.00 0.00 C ATOM 1496 CD PRO A 83 5.375 17.787 9.032 1.00 0.00 C ATOM 0 HA PRO A 83 4.152 20.497 10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.108 18.152 11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.736 18.632 9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.789 16.657 10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.682 16.516 9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.298 17.208 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.039 17.796 7.995 1.00 0.00 H new ATOM 1504 N ASP A 84 4.314 19.869 12.947 1.00 0.00 N ATOM 1505 CA ASP A 84 4.749 19.961 14.337 1.00 0.00 C ATOM 1506 C ASP A 84 3.868 19.106 15.246 1.00 0.00 C ATOM 1507 O ASP A 84 4.354 18.479 16.187 1.00 0.00 O ATOM 1508 CB ASP A 84 4.723 21.418 14.804 1.00 0.00 C ATOM 1509 CG ASP A 84 6.068 21.882 15.327 1.00 0.00 C ATOM 1510 OD1 ASP A 84 6.878 21.020 15.729 1.00 0.00 O ATOM 1511 OD2 ASP A 84 6.311 23.107 15.336 1.00 0.00 O ATOM 0 H ASP A 84 3.321 20.054 12.802 1.00 0.00 H new ATOM 0 HA ASP A 84 5.770 19.584 14.397 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.419 22.057 13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.973 21.532 15.587 1.00 0.00 H new ATOM 1516 N LEU A 85 2.568 19.087 14.960 1.00 0.00 N ATOM 1517 CA LEU A 85 1.620 18.311 15.754 1.00 0.00 C ATOM 1518 C LEU A 85 1.102 17.111 14.964 1.00 0.00 C ATOM 1519 O LEU A 85 1.601 16.812 13.879 1.00 0.00 O ATOM 1520 CB LEU A 85 0.452 19.197 16.202 1.00 0.00 C ATOM 1521 CG LEU A 85 -0.008 20.242 15.183 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -0.681 19.573 13.995 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -0.949 21.242 15.839 1.00 0.00 C ATOM 0 H LEU A 85 2.148 19.600 14.185 1.00 0.00 H new ATOM 0 HA LEU A 85 2.139 17.939 16.637 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.395 18.556 16.447 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.739 19.711 17.120 1.00 0.00 H new ATOM 0 HG LEU A 85 0.868 20.779 14.819 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.001 20.333 13.282 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.023 18.896 13.512 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.549 19.010 14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.268 21.979 15.102 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.822 20.718 16.230 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.432 21.746 16.656 1.00 0.00 H new ATOM 1535 N ILE A 86 0.104 16.426 15.523 1.00 0.00 N ATOM 1536 CA ILE A 86 -0.498 15.251 14.892 1.00 0.00 C ATOM 1537 C ILE A 86 0.561 14.268 14.390 1.00 0.00 C ATOM 1538 O ILE A 86 1.226 14.502 13.383 1.00 0.00 O ATOM 1539 CB ILE A 86 -1.451 15.643 13.735 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -2.161 14.403 13.187 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -0.710 16.374 12.623 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -3.596 14.274 13.652 1.00 0.00 C ATOM 0 H ILE A 86 -0.309 16.669 16.423 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.085 14.755 15.665 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.199 16.327 14.135 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.142 14.435 12.098 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.608 13.514 13.490 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.410 16.633 11.829 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.261 17.283 13.022 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.072 15.729 12.222 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.037 13.373 13.225 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.622 14.210 14.740 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.164 15.145 13.326 1.00 0.00 H new ATOM 1554 N GLN A 87 0.710 13.160 15.108 1.00 0.00 N ATOM 1555 CA GLN A 87 1.683 12.138 14.746 1.00 0.00 C ATOM 1556 C GLN A 87 1.372 11.558 13.369 1.00 0.00 C ATOM 1557 O GLN A 87 0.566 12.112 12.620 1.00 0.00 O ATOM 1558 CB GLN A 87 1.697 11.024 15.796 1.00 0.00 C ATOM 1559 CG GLN A 87 3.095 10.631 16.244 1.00 0.00 C ATOM 1560 CD GLN A 87 3.090 9.829 17.531 1.00 0.00 C ATOM 1561 OE1 GLN A 87 2.033 9.510 18.075 1.00 0.00 O ATOM 1562 NE2 GLN A 87 4.278 9.498 18.027 1.00 0.00 N ATOM 0 H GLN A 87 0.168 12.947 15.945 1.00 0.00 H new ATOM 0 HA GLN A 87 2.669 12.602 14.709 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.123 11.347 16.665 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.194 10.146 15.390 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.574 10.047 15.458 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.695 11.531 16.383 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.130 9.783 17.544 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.338 8.959 18.891 1.00 0.00 H new ATOM 1571 N ASN A 88 2.013 10.441 13.042 1.00 0.00 N ATOM 1572 CA ASN A 88 1.806 9.785 11.757 1.00 0.00 C ATOM 1573 C ASN A 88 2.560 8.462 11.697 1.00 0.00 C ATOM 1574 O ASN A 88 3.767 8.433 11.458 1.00 0.00 O ATOM 1575 CB ASN A 88 2.260 10.697 10.614 1.00 0.00 C ATOM 1576 CG ASN A 88 1.101 11.413 9.948 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -0.049 11.281 10.368 1.00 0.00 O ATOM 1578 ND2 ASN A 88 1.397 12.173 8.900 1.00 0.00 N ATOM 0 H ASN A 88 2.682 9.970 13.651 1.00 0.00 H new ATOM 0 HA ASN A 88 0.741 9.582 11.648 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.965 11.434 10.999 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.793 10.104 9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.657 12.676 8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.364 12.254 8.586 1.00 0.00 H new ATOM 1585 N ALA A 89 1.843 7.366 11.922 1.00 0.00 N ATOM 1586 CA ALA A 89 2.445 6.037 11.895 1.00 0.00 C ATOM 1587 C ALA A 89 3.472 5.881 13.013 1.00 0.00 C ATOM 1588 O ALA A 89 3.851 6.856 13.662 1.00 0.00 O ATOM 1589 CB ALA A 89 3.087 5.774 10.542 1.00 0.00 C ATOM 0 H ALA A 89 0.843 7.371 12.125 1.00 0.00 H new ATOM 0 HA ALA A 89 1.656 5.302 12.055 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.532 4.779 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.329 5.836 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.861 6.518 10.356 1.00 0.00 H new ATOM 1595 N LYS A 90 3.917 4.649 13.231 1.00 0.00 N ATOM 1596 CA LYS A 90 4.901 4.363 14.270 1.00 0.00 C ATOM 1597 C LYS A 90 5.337 2.903 14.219 1.00 0.00 C ATOM 1598 O LYS A 90 4.504 1.996 14.222 1.00 0.00 O ATOM 1599 CB LYS A 90 4.323 4.687 15.649 1.00 0.00 C ATOM 1600 CG LYS A 90 3.028 3.949 15.954 1.00 0.00 C ATOM 1601 CD LYS A 90 1.857 4.908 16.096 1.00 0.00 C ATOM 1602 CE LYS A 90 0.592 4.340 15.474 1.00 0.00 C ATOM 1603 NZ LYS A 90 0.404 4.804 14.073 1.00 0.00 N ATOM 0 H LYS A 90 3.612 3.832 12.702 1.00 0.00 H new ATOM 0 HA LYS A 90 5.775 4.990 14.092 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.062 4.438 16.411 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.145 5.760 15.716 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.819 3.235 15.157 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.143 3.376 16.874 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.682 5.117 17.152 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.103 5.857 15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.636 3.251 15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.270 4.634 16.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.612 4.883 13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.855 5.733 13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.838 4.121 13.420 1.00 0.00 H new ATOM 1617 N LYS A 91 6.647 2.682 14.172 1.00 0.00 N ATOM 1618 CA LYS A 91 7.193 1.331 14.121 1.00 0.00 C ATOM 1619 C LYS A 91 8.101 1.067 15.317 1.00 0.00 C ATOM 1620 O LYS A 91 7.756 0.190 16.137 1.00 0.00 O ATOM 1621 CB LYS A 91 7.971 1.122 12.820 1.00 0.00 C ATOM 1622 CG LYS A 91 8.192 -0.341 12.474 1.00 0.00 C ATOM 1623 CD LYS A 91 9.397 -0.523 11.566 1.00 0.00 C ATOM 1624 CE LYS A 91 10.173 -1.782 11.915 1.00 0.00 C ATOM 1625 NZ LYS A 91 11.375 -1.953 11.051 1.00 0.00 N ATOM 0 H LYS A 91 7.350 3.421 14.168 1.00 0.00 H new ATOM 0 HA LYS A 91 6.361 0.628 14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.433 1.603 12.003 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.938 1.618 12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.335 -0.915 13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.303 -0.738 11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.067 -0.574 10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.052 0.344 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.480 -1.741 12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.523 -2.650 11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.876 -2.823 11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.081 -2.018 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.008 -1.137 11.172 1.00 0.00 H new TER 1639 LYS A 91