USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 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 52 ASN : amide:sc= 1.11 K(o=2.2,f=-1.6) USER MOD Set 1.2: A 54 GLN : amide:sc= 1.11 K(o=2.2,f=-0.15) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -125:sc= 0.785 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 150:sc= 0.698 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.155 (180deg=-0.772) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.28 (180deg=0.225) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0.0288 (180deg=0.024) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.00338 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 21 SER OG : rot -89:sc= 1.12 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 27 GLN : amide:sc= -0.0349 K(o=-0.035,f=-5.2!) USER MOD Single : A 28 GLN : amide:sc= -0.285 K(o=-0.28,f=-1) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 36 ASN : amide:sc= 0.529 K(o=0.53,f=-6.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.933 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0499) USER MOD Single : A 49 SER OG : rot -25:sc= 0.141 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 24:sc= 0.726 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=0.000211 USER MOD Single : A 67 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0483 (180deg=-0.262) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= -1.36 (180deg=-3.39!) USER MOD Single : A 75 ASN : amide:sc= 0.296 K(o=0.3,f=-2.8!) USER MOD Single : A 78 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.77) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.025) USER MOD Single : A 94 HIS : no HD1:sc=-0.00523 X(o=-0.0052,f=-0.11) USER MOD Single : A 95 HIS : no HD1:sc=-0.00443 X(o=-0.0044,f=-0.048) USER MOD Single : A 96 HIS : no HE2:sc= 0.678 K(o=0.68,f=-2.7!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.462 13.488 -6.468 1.00 0.00 N ATOM 2 CA MET A 1 -6.077 13.744 -6.017 1.00 0.00 C ATOM 3 C MET A 1 -5.092 13.377 -7.119 1.00 0.00 C ATOM 4 O MET A 1 -5.198 12.307 -7.714 1.00 0.00 O ATOM 5 CB MET A 1 -5.753 12.933 -4.753 1.00 0.00 C ATOM 6 CG MET A 1 -6.660 13.232 -3.567 1.00 0.00 C ATOM 7 SD MET A 1 -8.319 12.558 -3.758 1.00 0.00 S ATOM 8 CE MET A 1 -7.979 10.800 -3.769 1.00 0.00 C ATOM 0 H1 MET A 1 -8.085 13.393 -5.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.787 14.281 -7.057 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.489 12.609 -7.024 1.00 0.00 H new ATOM 0 HA MET A 1 -5.988 14.805 -5.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.822 11.871 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.720 13.129 -4.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.211 12.824 -2.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.726 14.311 -3.431 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.875 10.254 -3.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.682 10.493 -4.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.173 10.581 -3.069 1.00 0.00 H new ATOM 20 N PRO A 2 -4.122 14.258 -7.411 1.00 0.00 N ATOM 21 CA PRO A 2 -3.099 13.994 -8.422 1.00 0.00 C ATOM 22 C PRO A 2 -2.009 13.063 -7.901 1.00 0.00 C ATOM 23 O PRO A 2 -1.180 12.557 -8.663 1.00 0.00 O ATOM 24 CB PRO A 2 -2.528 15.381 -8.710 1.00 0.00 C ATOM 25 CG PRO A 2 -2.713 16.142 -7.442 1.00 0.00 C ATOM 26 CD PRO A 2 -3.950 15.587 -6.785 1.00 0.00 C ATOM 0 HA PRO A 2 -3.504 13.495 -9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.475 15.325 -8.987 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.051 15.860 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.845 16.029 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.825 17.208 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.826 15.507 -5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.816 16.226 -6.960 1.00 0.00 H new ATOM 34 N THR A 3 -2.029 12.831 -6.599 1.00 0.00 N ATOM 35 CA THR A 3 -1.031 12.005 -5.955 1.00 0.00 C ATOM 36 C THR A 3 -1.533 10.577 -5.784 1.00 0.00 C ATOM 37 O THR A 3 -2.640 10.341 -5.294 1.00 0.00 O ATOM 38 CB THR A 3 -0.664 12.561 -4.582 1.00 0.00 C ATOM 39 OG1 THR A 3 -0.904 13.978 -4.549 1.00 0.00 O ATOM 40 CG2 THR A 3 0.796 12.282 -4.256 1.00 0.00 C ATOM 0 H THR A 3 -2.734 13.209 -5.966 1.00 0.00 H new ATOM 0 HA THR A 3 -0.150 12.007 -6.596 1.00 0.00 H new ATOM 0 HB THR A 3 -1.286 12.067 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.668 14.329 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.033 12.688 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.970 11.206 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.432 12.752 -5.006 1.00 0.00 H new ATOM 48 N LYS A 4 -0.707 9.642 -6.196 1.00 0.00 N ATOM 49 CA LYS A 4 -0.980 8.222 -6.047 1.00 0.00 C ATOM 50 C LYS A 4 0.351 7.533 -5.783 1.00 0.00 C ATOM 51 O LYS A 4 1.042 7.110 -6.709 1.00 0.00 O ATOM 52 CB LYS A 4 -1.666 7.677 -7.314 1.00 0.00 C ATOM 53 CG LYS A 4 -2.355 6.318 -7.162 1.00 0.00 C ATOM 54 CD LYS A 4 -1.363 5.172 -7.056 1.00 0.00 C ATOM 55 CE LYS A 4 -1.993 3.842 -7.446 1.00 0.00 C ATOM 56 NZ LYS A 4 -3.128 3.457 -6.560 1.00 0.00 N ATOM 0 H LYS A 4 0.184 9.844 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.661 8.034 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.407 8.405 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.920 7.599 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.986 6.331 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.011 6.149 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.507 5.372 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.986 5.110 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.346 3.901 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.232 3.062 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.496 2.529 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.798 3.405 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.883 4.168 -6.635 1.00 0.00 H new ATOM 70 N THR A 5 0.733 7.483 -4.517 1.00 0.00 N ATOM 71 CA THR A 5 2.071 7.057 -4.151 1.00 0.00 C ATOM 72 C THR A 5 2.068 5.684 -3.486 1.00 0.00 C ATOM 73 O THR A 5 1.042 5.219 -2.989 1.00 0.00 O ATOM 74 CB THR A 5 2.719 8.075 -3.194 1.00 0.00 C ATOM 75 OG1 THR A 5 2.262 9.395 -3.515 1.00 0.00 O ATOM 76 CG2 THR A 5 4.236 8.033 -3.294 1.00 0.00 C ATOM 0 H THR A 5 0.136 7.732 -3.728 1.00 0.00 H new ATOM 0 HA THR A 5 2.648 6.994 -5.074 1.00 0.00 H new ATOM 0 HB THR A 5 2.431 7.815 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.674 10.041 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.666 8.762 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.590 7.036 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.540 8.271 -4.313 1.00 0.00 H new ATOM 84 N TYR A 6 3.224 5.048 -3.498 1.00 0.00 N ATOM 85 CA TYR A 6 3.419 3.776 -2.839 1.00 0.00 C ATOM 86 C TYR A 6 4.775 3.768 -2.141 1.00 0.00 C ATOM 87 O TYR A 6 5.818 3.867 -2.789 1.00 0.00 O ATOM 88 CB TYR A 6 3.306 2.624 -3.848 1.00 0.00 C ATOM 89 CG TYR A 6 3.856 2.935 -5.228 1.00 0.00 C ATOM 90 CD1 TYR A 6 5.218 2.864 -5.493 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.007 3.295 -6.269 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.719 3.147 -6.747 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.502 3.577 -7.528 1.00 0.00 C ATOM 94 CZ TYR A 6 4.857 3.500 -7.761 1.00 0.00 C ATOM 95 OH TYR A 6 5.356 3.778 -9.011 1.00 0.00 O ATOM 0 H TYR A 6 4.057 5.403 -3.968 1.00 0.00 H new ATOM 0 HA TYR A 6 2.640 3.634 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.832 1.756 -3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.257 2.345 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.897 2.582 -4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.944 3.355 -6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.782 3.092 -6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.829 3.856 -8.325 1.00 0.00 H new ATOM 0 HH TYR A 6 4.619 4.009 -9.614 1.00 0.00 H new ATOM 105 N SER A 7 4.760 3.694 -0.820 1.00 0.00 N ATOM 106 CA SER A 7 5.997 3.689 -0.052 1.00 0.00 C ATOM 107 C SER A 7 6.745 2.372 -0.230 1.00 0.00 C ATOM 108 O SER A 7 6.149 1.349 -0.569 1.00 0.00 O ATOM 109 CB SER A 7 5.702 3.941 1.427 1.00 0.00 C ATOM 110 OG SER A 7 4.696 3.069 1.906 1.00 0.00 O ATOM 0 H SER A 7 3.910 3.637 -0.258 1.00 0.00 H new ATOM 0 HA SER A 7 6.634 4.491 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.613 3.804 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.387 4.975 1.566 1.00 0.00 H new ATOM 0 HG SER A 7 4.529 3.251 2.854 1.00 0.00 H new ATOM 116 N GLU A 8 8.053 2.403 -0.018 1.00 0.00 N ATOM 117 CA GLU A 8 8.877 1.202 -0.132 1.00 0.00 C ATOM 118 C GLU A 8 8.461 0.139 0.884 1.00 0.00 C ATOM 119 O GLU A 8 8.555 -1.060 0.617 1.00 0.00 O ATOM 120 CB GLU A 8 10.354 1.557 0.031 1.00 0.00 C ATOM 121 CG GLU A 8 10.645 2.444 1.227 1.00 0.00 C ATOM 122 CD GLU A 8 12.100 2.847 1.290 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.504 3.752 0.531 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.855 2.240 2.075 1.00 0.00 O ATOM 0 H GLU A 8 8.569 3.246 0.234 1.00 0.00 H new ATOM 0 HA GLU A 8 8.724 0.782 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.930 0.637 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.699 2.058 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.023 3.338 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.374 1.919 2.143 1.00 0.00 H new ATOM 131 N GLU A 9 7.980 0.581 2.038 1.00 0.00 N ATOM 132 CA GLU A 9 7.486 -0.337 3.056 1.00 0.00 C ATOM 133 C GLU A 9 6.207 -1.014 2.561 1.00 0.00 C ATOM 134 O GLU A 9 5.957 -2.185 2.840 1.00 0.00 O ATOM 135 CB GLU A 9 7.223 0.418 4.363 1.00 0.00 C ATOM 136 CG GLU A 9 6.945 -0.486 5.557 1.00 0.00 C ATOM 137 CD GLU A 9 8.114 -1.395 5.898 1.00 0.00 C ATOM 138 OE1 GLU A 9 9.008 -0.965 6.655 1.00 0.00 O ATOM 139 OE2 GLU A 9 8.134 -2.548 5.428 1.00 0.00 O ATOM 0 H GLU A 9 7.921 1.567 2.293 1.00 0.00 H new ATOM 0 HA GLU A 9 8.239 -1.102 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.086 1.045 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.373 1.085 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.706 0.130 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.067 -1.096 5.347 1.00 0.00 H new ATOM 146 N PHE A 10 5.412 -0.266 1.803 1.00 0.00 N ATOM 147 CA PHE A 10 4.200 -0.801 1.197 1.00 0.00 C ATOM 148 C PHE A 10 4.558 -1.834 0.128 1.00 0.00 C ATOM 149 O PHE A 10 3.913 -2.875 0.015 1.00 0.00 O ATOM 150 CB PHE A 10 3.367 0.332 0.590 1.00 0.00 C ATOM 151 CG PHE A 10 2.062 -0.115 -0.007 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.993 -0.457 0.806 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.901 -0.186 -1.384 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.209 -0.863 0.258 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.702 -0.591 -1.936 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.354 -0.929 -1.113 1.00 0.00 C ATOM 0 H PHE A 10 5.587 0.717 1.594 1.00 0.00 H new ATOM 0 HA PHE A 10 3.607 -1.291 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.165 1.074 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.956 0.828 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.100 -0.406 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.724 0.079 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.034 -1.128 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.590 -0.643 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.293 -1.245 -1.542 1.00 0.00 H new ATOM 166 N LYS A 11 5.598 -1.539 -0.645 1.00 0.00 N ATOM 167 CA LYS A 11 6.107 -2.472 -1.647 1.00 0.00 C ATOM 168 C LYS A 11 6.569 -3.761 -0.973 1.00 0.00 C ATOM 169 O LYS A 11 6.348 -4.862 -1.476 1.00 0.00 O ATOM 170 CB LYS A 11 7.284 -1.849 -2.397 1.00 0.00 C ATOM 171 CG LYS A 11 6.992 -0.473 -2.971 1.00 0.00 C ATOM 172 CD LYS A 11 8.252 0.166 -3.527 1.00 0.00 C ATOM 173 CE LYS A 11 8.026 1.620 -3.897 1.00 0.00 C ATOM 174 NZ LYS A 11 9.279 2.286 -4.343 1.00 0.00 N ATOM 0 H LYS A 11 6.108 -0.657 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 11 5.306 -2.695 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.135 -1.776 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.578 -2.515 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.244 -0.556 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.568 0.165 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.051 0.098 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.583 -0.386 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.282 1.680 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.619 2.153 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.443 3.138 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.079 1.632 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.192 2.555 -5.344 1.00 0.00 H new ATOM 188 N ARG A 12 7.211 -3.597 0.179 1.00 0.00 N ATOM 189 CA ARG A 12 7.704 -4.716 0.970 1.00 0.00 C ATOM 190 C ARG A 12 6.542 -5.567 1.475 1.00 0.00 C ATOM 191 O ARG A 12 6.638 -6.793 1.535 1.00 0.00 O ATOM 192 CB ARG A 12 8.530 -4.175 2.136 1.00 0.00 C ATOM 193 CG ARG A 12 9.148 -5.237 3.029 1.00 0.00 C ATOM 194 CD ARG A 12 9.973 -4.584 4.122 1.00 0.00 C ATOM 195 NE ARG A 12 10.512 -5.541 5.084 1.00 0.00 N ATOM 196 CZ ARG A 12 10.663 -5.271 6.380 1.00 0.00 C ATOM 197 NH1 ARG A 12 10.229 -4.117 6.873 1.00 0.00 N ATOM 198 NH2 ARG A 12 11.223 -6.161 7.188 1.00 0.00 N ATOM 0 H ARG A 12 7.404 -2.683 0.590 1.00 0.00 H new ATOM 0 HA ARG A 12 8.334 -5.353 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.327 -3.548 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.894 -3.533 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.364 -5.851 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.777 -5.901 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.796 -4.033 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.355 -3.857 4.649 1.00 0.00 H new ATOM 0 HE ARG A 12 10.787 -6.463 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.780 -3.437 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.345 -3.911 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.540 -7.057 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.336 -5.950 8.179 1.00 0.00 H new ATOM 212 N ASP A 13 5.443 -4.908 1.823 1.00 0.00 N ATOM 213 CA ASP A 13 4.238 -5.603 2.267 1.00 0.00 C ATOM 214 C ASP A 13 3.580 -6.327 1.097 1.00 0.00 C ATOM 215 O ASP A 13 3.013 -7.406 1.257 1.00 0.00 O ATOM 216 CB ASP A 13 3.254 -4.619 2.894 1.00 0.00 C ATOM 217 CG ASP A 13 1.996 -5.301 3.396 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.022 -5.849 4.516 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.968 -5.276 2.685 1.00 0.00 O ATOM 0 H ASP A 13 5.360 -3.891 1.807 1.00 0.00 H new ATOM 0 HA ASP A 13 4.524 -6.339 3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.739 -4.102 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.984 -3.861 2.159 1.00 0.00 H new ATOM 224 N ALA A 14 3.680 -5.731 -0.082 1.00 0.00 N ATOM 225 CA ALA A 14 3.160 -6.346 -1.300 1.00 0.00 C ATOM 226 C ALA A 14 3.889 -7.652 -1.603 1.00 0.00 C ATOM 227 O ALA A 14 3.310 -8.583 -2.166 1.00 0.00 O ATOM 228 CB ALA A 14 3.274 -5.379 -2.469 1.00 0.00 C ATOM 0 H ALA A 14 4.117 -4.820 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 14 2.106 -6.579 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.883 -5.850 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.701 -4.478 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.320 -5.115 -2.622 1.00 0.00 H new ATOM 234 N VAL A 15 5.157 -7.722 -1.213 1.00 0.00 N ATOM 235 CA VAL A 15 5.926 -8.954 -1.334 1.00 0.00 C ATOM 236 C VAL A 15 5.329 -10.024 -0.423 1.00 0.00 C ATOM 237 O VAL A 15 5.243 -11.198 -0.789 1.00 0.00 O ATOM 238 CB VAL A 15 7.416 -8.736 -0.980 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.207 -10.026 -1.148 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.015 -7.635 -1.839 1.00 0.00 C ATOM 0 H VAL A 15 5.674 -6.940 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 15 5.875 -9.280 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 15 7.473 -8.431 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.252 -9.848 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.798 -10.792 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.138 -10.363 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.063 -7.497 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.939 -7.912 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.473 -6.705 -1.669 1.00 0.00 H new ATOM 250 N ALA A 16 4.884 -9.598 0.756 1.00 0.00 N ATOM 251 CA ALA A 16 4.254 -10.498 1.716 1.00 0.00 C ATOM 252 C ALA A 16 2.908 -10.983 1.186 1.00 0.00 C ATOM 253 O ALA A 16 2.477 -12.097 1.475 1.00 0.00 O ATOM 254 CB ALA A 16 4.084 -9.809 3.063 1.00 0.00 C ATOM 0 H ALA A 16 4.949 -8.630 1.070 1.00 0.00 H new ATOM 0 HA ALA A 16 4.901 -11.364 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.613 -10.496 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.060 -9.512 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.457 -8.925 2.943 1.00 0.00 H new ATOM 260 N LEU A 17 2.254 -10.138 0.401 1.00 0.00 N ATOM 261 CA LEU A 17 1.016 -10.511 -0.268 1.00 0.00 C ATOM 262 C LEU A 17 1.270 -11.636 -1.272 1.00 0.00 C ATOM 263 O LEU A 17 0.442 -12.530 -1.435 1.00 0.00 O ATOM 264 CB LEU A 17 0.407 -9.291 -0.970 1.00 0.00 C ATOM 265 CG LEU A 17 -0.319 -8.302 -0.053 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.609 -7.004 -0.793 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.617 -8.911 0.459 1.00 0.00 C ATOM 0 H LEU A 17 2.563 -9.184 0.211 1.00 0.00 H new ATOM 0 HA LEU A 17 0.309 -10.872 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.202 -8.759 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.295 -9.641 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 17 0.327 -8.083 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.125 -6.313 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.328 -6.557 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.238 -7.211 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.122 -8.197 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.263 -9.153 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.396 -9.819 1.020 1.00 0.00 H new ATOM 279 N TYR A 18 2.432 -11.603 -1.921 1.00 0.00 N ATOM 280 CA TYR A 18 2.795 -12.641 -2.880 1.00 0.00 C ATOM 281 C TYR A 18 3.143 -13.941 -2.158 1.00 0.00 C ATOM 282 O TYR A 18 3.050 -15.027 -2.734 1.00 0.00 O ATOM 283 CB TYR A 18 3.968 -12.196 -3.759 1.00 0.00 C ATOM 284 CG TYR A 18 4.255 -13.153 -4.895 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.438 -13.187 -6.020 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.331 -14.032 -4.839 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.685 -14.065 -7.056 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.585 -14.915 -5.870 1.00 0.00 C ATOM 289 CZ TYR A 18 4.759 -14.928 -6.976 1.00 0.00 C ATOM 290 OH TYR A 18 5.007 -15.806 -8.004 1.00 0.00 O ATOM 0 H TYR A 18 3.134 -10.873 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 18 1.933 -12.815 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.753 -11.209 -4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.860 -12.097 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.595 -12.514 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.979 -14.024 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.042 -14.077 -7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.425 -15.591 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 18 5.800 -16.342 -7.792 1.00 0.00 H new ATOM 300 N GLU A 19 3.540 -13.834 -0.893 1.00 0.00 N ATOM 301 CA GLU A 19 3.791 -15.015 -0.070 1.00 0.00 C ATOM 302 C GLU A 19 2.487 -15.766 0.173 1.00 0.00 C ATOM 303 O GLU A 19 2.484 -16.947 0.520 1.00 0.00 O ATOM 304 CB GLU A 19 4.411 -14.633 1.272 1.00 0.00 C ATOM 305 CG GLU A 19 5.719 -13.871 1.162 1.00 0.00 C ATOM 306 CD GLU A 19 6.341 -13.612 2.518 1.00 0.00 C ATOM 307 OE1 GLU A 19 5.674 -12.992 3.375 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.486 -14.053 2.748 1.00 0.00 O ATOM 0 H GLU A 19 3.695 -12.946 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 19 4.492 -15.654 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.697 -14.027 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.580 -15.540 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.417 -14.437 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.544 -12.921 0.656 1.00 0.00 H new ATOM 315 N ASN A 20 1.381 -15.060 -0.020 1.00 0.00 N ATOM 316 CA ASN A 20 0.052 -15.614 0.176 1.00 0.00 C ATOM 317 C ASN A 20 -0.642 -15.807 -1.168 1.00 0.00 C ATOM 318 O ASN A 20 -1.871 -15.869 -1.245 1.00 0.00 O ATOM 319 CB ASN A 20 -0.768 -14.678 1.065 1.00 0.00 C ATOM 320 CG ASN A 20 -0.310 -14.701 2.513 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.785 -15.507 3.307 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.613 -13.817 2.867 1.00 0.00 N ATOM 0 H ASN A 20 1.382 -14.084 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 20 0.138 -16.585 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.695 -13.661 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.819 -14.963 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.952 -13.791 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.984 -13.163 2.178 1.00 0.00 H new ATOM 329 N SER A 21 0.159 -15.939 -2.222 1.00 0.00 N ATOM 330 CA SER A 21 -0.359 -16.056 -3.583 1.00 0.00 C ATOM 331 C SER A 21 -1.161 -17.333 -3.782 1.00 0.00 C ATOM 332 O SER A 21 -1.877 -17.480 -4.777 1.00 0.00 O ATOM 333 CB SER A 21 0.776 -15.995 -4.593 1.00 0.00 C ATOM 334 OG SER A 21 1.813 -16.905 -4.260 1.00 0.00 O ATOM 0 H SER A 21 1.177 -15.968 -2.159 1.00 0.00 H new ATOM 0 HA SER A 21 -1.031 -15.213 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.393 -16.225 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.177 -14.982 -4.632 1.00 0.00 H new ATOM 0 HG SER A 21 2.459 -16.463 -3.670 1.00 0.00 H new ATOM 340 N ASP A 22 -1.028 -18.261 -2.849 1.00 0.00 N ATOM 341 CA ASP A 22 -1.835 -19.475 -2.855 1.00 0.00 C ATOM 342 C ASP A 22 -3.319 -19.120 -2.870 1.00 0.00 C ATOM 343 O ASP A 22 -4.136 -19.832 -3.454 1.00 0.00 O ATOM 344 CB ASP A 22 -1.518 -20.335 -1.629 1.00 0.00 C ATOM 345 CG ASP A 22 -2.179 -21.699 -1.683 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.575 -22.631 -2.252 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.299 -21.849 -1.149 1.00 0.00 O ATOM 0 H ASP A 22 -0.367 -18.199 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.596 -20.044 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.438 -20.462 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.845 -19.813 -0.730 1.00 0.00 H new ATOM 352 N GLY A 23 -3.649 -18.000 -2.242 1.00 0.00 N ATOM 353 CA GLY A 23 -5.021 -17.537 -2.208 1.00 0.00 C ATOM 354 C GLY A 23 -5.253 -16.329 -3.100 1.00 0.00 C ATOM 355 O GLY A 23 -6.397 -16.022 -3.445 1.00 0.00 O ATOM 0 H GLY A 23 -2.985 -17.400 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.681 -18.346 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.290 -17.284 -1.182 1.00 0.00 H new ATOM 359 N ALA A 24 -4.176 -15.648 -3.490 1.00 0.00 N ATOM 360 CA ALA A 24 -4.290 -14.437 -4.299 1.00 0.00 C ATOM 361 C ALA A 24 -3.121 -14.315 -5.272 1.00 0.00 C ATOM 362 O ALA A 24 -1.987 -14.074 -4.870 1.00 0.00 O ATOM 363 CB ALA A 24 -4.377 -13.209 -3.407 1.00 0.00 C ATOM 0 H ALA A 24 -3.219 -15.914 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.207 -14.505 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.461 -12.315 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.253 -13.289 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.479 -13.141 -2.792 1.00 0.00 H new ATOM 369 N SER A 25 -3.405 -14.488 -6.554 1.00 0.00 N ATOM 370 CA SER A 25 -2.370 -14.476 -7.580 1.00 0.00 C ATOM 371 C SER A 25 -1.799 -13.065 -7.783 1.00 0.00 C ATOM 372 O SER A 25 -2.335 -12.082 -7.264 1.00 0.00 O ATOM 373 CB SER A 25 -2.938 -15.026 -8.894 1.00 0.00 C ATOM 374 OG SER A 25 -1.913 -15.235 -9.854 1.00 0.00 O ATOM 0 H SER A 25 -4.348 -14.639 -6.911 1.00 0.00 H new ATOM 0 HA SER A 25 -1.550 -15.114 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.457 -15.965 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.676 -14.330 -9.293 1.00 0.00 H new ATOM 0 HG SER A 25 -2.305 -15.587 -10.680 1.00 0.00 H new ATOM 380 N LEU A 26 -0.713 -12.978 -8.554 1.00 0.00 N ATOM 381 CA LEU A 26 -0.005 -11.719 -8.785 1.00 0.00 C ATOM 382 C LEU A 26 -0.935 -10.650 -9.354 1.00 0.00 C ATOM 383 O LEU A 26 -1.005 -9.537 -8.829 1.00 0.00 O ATOM 384 CB LEU A 26 1.169 -11.947 -9.744 1.00 0.00 C ATOM 385 CG LEU A 26 2.028 -10.711 -10.040 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.762 -10.253 -8.789 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.015 -11.003 -11.159 1.00 0.00 C ATOM 0 H LEU A 26 -0.301 -13.778 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 26 0.369 -11.365 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.811 -12.723 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.777 -12.330 -10.686 1.00 0.00 H new ATOM 0 HG LEU A 26 1.368 -9.906 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.365 -9.375 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.038 -10.001 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.410 -11.054 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.616 -10.115 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.668 -11.824 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.470 -11.279 -12.062 1.00 0.00 H new ATOM 399 N GLN A 27 -1.655 -10.992 -10.421 1.00 0.00 N ATOM 400 CA GLN A 27 -2.584 -10.056 -11.044 1.00 0.00 C ATOM 401 C GLN A 27 -3.674 -9.659 -10.059 1.00 0.00 C ATOM 402 O GLN A 27 -4.146 -8.524 -10.066 1.00 0.00 O ATOM 403 CB GLN A 27 -3.220 -10.672 -12.295 1.00 0.00 C ATOM 404 CG GLN A 27 -4.166 -9.728 -13.028 1.00 0.00 C ATOM 405 CD GLN A 27 -3.466 -8.489 -13.548 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.940 -8.476 -14.664 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.461 -7.436 -12.751 1.00 0.00 N ATOM 0 H GLN A 27 -1.612 -11.907 -10.869 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.023 -9.168 -11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.430 -10.983 -12.978 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.767 -11.571 -12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.627 -10.257 -13.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.970 -9.431 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.907 -7.487 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.011 -6.571 -13.051 1.00 0.00 H new ATOM 416 N GLN A 28 -4.048 -10.598 -9.202 1.00 0.00 N ATOM 417 CA GLN A 28 -5.127 -10.385 -8.249 1.00 0.00 C ATOM 418 C GLN A 28 -4.727 -9.331 -7.219 1.00 0.00 C ATOM 419 O GLN A 28 -5.517 -8.447 -6.883 1.00 0.00 O ATOM 420 CB GLN A 28 -5.479 -11.698 -7.550 1.00 0.00 C ATOM 421 CG GLN A 28 -6.931 -11.784 -7.118 1.00 0.00 C ATOM 422 CD GLN A 28 -7.874 -11.732 -8.303 1.00 0.00 C ATOM 423 OE1 GLN A 28 -7.532 -12.168 -9.404 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.066 -11.209 -8.086 1.00 0.00 N ATOM 0 H GLN A 28 -3.617 -11.521 -9.147 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.003 -10.028 -8.790 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.258 -12.528 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.840 -11.817 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.092 -12.710 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.157 -10.963 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.309 -10.860 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.745 -11.154 -8.845 1.00 0.00 H new ATOM 433 N ILE A 29 -3.493 -9.428 -6.732 1.00 0.00 N ATOM 434 CA ILE A 29 -2.960 -8.455 -5.786 1.00 0.00 C ATOM 435 C ILE A 29 -2.928 -7.064 -6.407 1.00 0.00 C ATOM 436 O ILE A 29 -3.440 -6.101 -5.834 1.00 0.00 O ATOM 437 CB ILE A 29 -1.534 -8.839 -5.321 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.544 -10.195 -4.601 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.954 -7.763 -4.411 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.406 -10.222 -3.355 1.00 0.00 C ATOM 0 H ILE A 29 -2.842 -10.174 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.621 -8.452 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.902 -8.921 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.898 -10.960 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.522 -10.459 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.048 -8.054 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.905 -6.818 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.590 -7.647 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.361 -11.213 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.040 -9.482 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.437 -9.991 -3.621 1.00 0.00 H new ATOM 452 N ALA A 30 -2.343 -6.971 -7.595 1.00 0.00 N ATOM 453 CA ALA A 30 -2.244 -5.699 -8.297 1.00 0.00 C ATOM 454 C ALA A 30 -3.629 -5.135 -8.606 1.00 0.00 C ATOM 455 O ALA A 30 -3.831 -3.919 -8.611 1.00 0.00 O ATOM 456 CB ALA A 30 -1.446 -5.871 -9.581 1.00 0.00 C ATOM 0 H ALA A 30 -1.931 -7.761 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.727 -4.991 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.378 -4.914 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.444 -6.226 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.944 -6.596 -10.224 1.00 0.00 H new ATOM 462 N ASN A 31 -4.572 -6.034 -8.852 1.00 0.00 N ATOM 463 CA ASN A 31 -5.934 -5.655 -9.206 1.00 0.00 C ATOM 464 C ASN A 31 -6.633 -4.982 -8.030 1.00 0.00 C ATOM 465 O ASN A 31 -7.228 -3.916 -8.175 1.00 0.00 O ATOM 466 CB ASN A 31 -6.727 -6.895 -9.636 1.00 0.00 C ATOM 467 CG ASN A 31 -7.904 -6.574 -10.544 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.485 -5.490 -10.482 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.265 -7.530 -11.387 1.00 0.00 N ATOM 0 H ASN A 31 -4.417 -7.041 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.888 -4.947 -10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.058 -7.585 -10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.093 -7.409 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.053 -7.383 -12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.755 -8.413 -11.405 1.00 0.00 H new ATOM 476 N ASP A 32 -6.541 -5.601 -6.858 1.00 0.00 N ATOM 477 CA ASP A 32 -7.232 -5.099 -5.674 1.00 0.00 C ATOM 478 C ASP A 32 -6.600 -3.807 -5.173 1.00 0.00 C ATOM 479 O ASP A 32 -7.302 -2.879 -4.769 1.00 0.00 O ATOM 480 CB ASP A 32 -7.222 -6.139 -4.550 1.00 0.00 C ATOM 481 CG ASP A 32 -8.174 -5.778 -3.421 1.00 0.00 C ATOM 482 OD1 ASP A 32 -9.403 -5.839 -3.635 1.00 0.00 O ATOM 483 OD2 ASP A 32 -7.704 -5.452 -2.312 1.00 0.00 O ATOM 0 H ASP A 32 -5.996 -6.449 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.263 -4.898 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.497 -7.112 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.211 -6.233 -4.154 1.00 0.00 H new ATOM 488 N LEU A 33 -5.273 -3.752 -5.207 1.00 0.00 N ATOM 489 CA LEU A 33 -4.533 -2.598 -4.705 1.00 0.00 C ATOM 490 C LEU A 33 -4.535 -1.452 -5.712 1.00 0.00 C ATOM 491 O LEU A 33 -4.204 -0.316 -5.372 1.00 0.00 O ATOM 492 CB LEU A 33 -3.091 -2.993 -4.363 1.00 0.00 C ATOM 493 CG LEU A 33 -2.881 -3.663 -2.992 1.00 0.00 C ATOM 494 CD1 LEU A 33 -3.662 -4.965 -2.878 1.00 0.00 C ATOM 495 CD2 LEU A 33 -1.401 -3.917 -2.755 1.00 0.00 C ATOM 0 H LEU A 33 -4.684 -4.497 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.034 -2.254 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.728 -3.671 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.470 -2.098 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.257 -2.982 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.489 -5.408 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.726 -4.763 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.331 -5.657 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.264 -4.391 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.015 -4.572 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.861 -2.970 -2.776 1.00 0.00 H new ATOM 507 N GLY A 34 -4.916 -1.754 -6.946 1.00 0.00 N ATOM 508 CA GLY A 34 -4.953 -0.739 -7.979 1.00 0.00 C ATOM 509 C GLY A 34 -3.564 -0.296 -8.391 1.00 0.00 C ATOM 510 O GLY A 34 -3.283 0.901 -8.470 1.00 0.00 O ATOM 0 H GLY A 34 -5.200 -2.685 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.483 -1.127 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.517 0.122 -7.621 1.00 0.00 H new ATOM 514 N ILE A 35 -2.693 -1.267 -8.635 1.00 0.00 N ATOM 515 CA ILE A 35 -1.323 -0.998 -9.039 1.00 0.00 C ATOM 516 C ILE A 35 -0.975 -1.800 -10.289 1.00 0.00 C ATOM 517 O ILE A 35 -1.749 -2.654 -10.720 1.00 0.00 O ATOM 518 CB ILE A 35 -0.315 -1.333 -7.918 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.528 -2.764 -7.413 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.433 -0.328 -6.779 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.470 -3.191 -6.358 1.00 0.00 C ATOM 0 H ILE A 35 -2.917 -2.259 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.252 0.069 -9.251 1.00 0.00 H new ATOM 0 HB ILE A 35 0.694 -1.267 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.535 -2.850 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.467 -3.451 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.284 -0.578 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.225 0.674 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.442 -0.360 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.257 -4.214 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.478 -3.139 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.394 -2.528 -5.496 1.00 0.00 H new ATOM 533 N ASN A 36 0.180 -1.518 -10.872 1.00 0.00 N ATOM 534 CA ASN A 36 0.599 -2.194 -12.090 1.00 0.00 C ATOM 535 C ASN A 36 1.109 -3.595 -11.791 1.00 0.00 C ATOM 536 O ASN A 36 1.764 -3.826 -10.774 1.00 0.00 O ATOM 537 CB ASN A 36 1.693 -1.388 -12.775 1.00 0.00 C ATOM 538 CG ASN A 36 1.923 -1.824 -14.203 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.730 -2.708 -14.475 1.00 0.00 O ATOM 540 ND2 ASN A 36 1.208 -1.204 -15.123 1.00 0.00 N ATOM 0 H ASN A 36 0.843 -0.827 -10.522 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.266 -2.276 -12.749 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.426 -0.331 -12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.621 -1.490 -12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.315 -1.454 -16.106 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.549 -0.475 -14.851 1.00 0.00 H new ATOM 547 N ARG A 37 0.824 -4.517 -12.698 1.00 0.00 N ATOM 548 CA ARG A 37 1.245 -5.901 -12.549 1.00 0.00 C ATOM 549 C ARG A 37 2.760 -6.017 -12.655 1.00 0.00 C ATOM 550 O ARG A 37 3.388 -6.766 -11.908 1.00 0.00 O ATOM 551 CB ARG A 37 0.585 -6.766 -13.621 1.00 0.00 C ATOM 552 CG ARG A 37 0.909 -8.245 -13.509 1.00 0.00 C ATOM 553 CD ARG A 37 0.315 -9.020 -14.674 1.00 0.00 C ATOM 554 NE ARG A 37 0.873 -8.594 -15.958 1.00 0.00 N ATOM 555 CZ ARG A 37 0.135 -8.179 -16.995 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.191 -8.126 -16.903 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.728 -7.812 -18.125 1.00 0.00 N ATOM 0 H ARG A 37 0.298 -4.329 -13.552 1.00 0.00 H new ATOM 0 HA ARG A 37 0.937 -6.250 -11.563 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.496 -6.636 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.897 -6.410 -14.603 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.990 -8.384 -13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.519 -8.637 -12.570 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.501 -10.085 -14.533 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.766 -8.884 -14.686 1.00 0.00 H new ATOM 0 HE ARG A 37 1.887 -8.615 -16.070 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.654 -8.403 -16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.745 -7.808 -17.698 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.744 -7.847 -18.202 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.167 -7.496 -18.916 1.00 0.00 H new ATOM 571 N VAL A 38 3.338 -5.255 -13.576 1.00 0.00 N ATOM 572 CA VAL A 38 4.772 -5.326 -13.834 1.00 0.00 C ATOM 573 C VAL A 38 5.549 -4.665 -12.705 1.00 0.00 C ATOM 574 O VAL A 38 6.567 -5.184 -12.250 1.00 0.00 O ATOM 575 CB VAL A 38 5.144 -4.653 -15.176 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.631 -4.812 -15.478 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.312 -5.231 -16.308 1.00 0.00 C ATOM 0 H VAL A 38 2.837 -4.582 -14.156 1.00 0.00 H new ATOM 0 HA VAL A 38 5.038 -6.381 -13.893 1.00 0.00 H new ATOM 0 HB VAL A 38 4.928 -3.588 -15.089 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.863 -4.329 -16.427 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.215 -4.349 -14.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.878 -5.872 -15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.586 -4.747 -17.245 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.497 -6.302 -16.385 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.255 -5.059 -16.107 1.00 0.00 H new ATOM 587 N THR A 39 5.057 -3.522 -12.254 1.00 0.00 N ATOM 588 CA THR A 39 5.687 -2.800 -11.165 1.00 0.00 C ATOM 589 C THR A 39 5.685 -3.643 -9.885 1.00 0.00 C ATOM 590 O THR A 39 6.686 -3.703 -9.172 1.00 0.00 O ATOM 591 CB THR A 39 4.973 -1.460 -10.917 1.00 0.00 C ATOM 592 OG1 THR A 39 4.742 -0.805 -12.171 1.00 0.00 O ATOM 593 CG2 THR A 39 5.807 -0.556 -10.024 1.00 0.00 C ATOM 0 H THR A 39 4.220 -3.075 -12.628 1.00 0.00 H new ATOM 0 HA THR A 39 6.720 -2.597 -11.447 1.00 0.00 H new ATOM 0 HB THR A 39 4.025 -1.661 -10.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.286 0.048 -12.015 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.280 0.385 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.974 -1.046 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.766 -0.357 -10.502 1.00 0.00 H new ATOM 601 N LEU A 40 4.563 -4.310 -9.620 1.00 0.00 N ATOM 602 CA LEU A 40 4.444 -5.194 -8.466 1.00 0.00 C ATOM 603 C LEU A 40 5.443 -6.348 -8.569 1.00 0.00 C ATOM 604 O LEU A 40 6.136 -6.678 -7.605 1.00 0.00 O ATOM 605 CB LEU A 40 3.016 -5.741 -8.381 1.00 0.00 C ATOM 606 CG LEU A 40 2.760 -6.733 -7.241 1.00 0.00 C ATOM 607 CD1 LEU A 40 3.008 -6.083 -5.889 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.344 -7.281 -7.316 1.00 0.00 C ATOM 0 H LEU A 40 3.721 -4.253 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 40 4.666 -4.626 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.329 -4.902 -8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.775 -6.229 -9.326 1.00 0.00 H new ATOM 0 HG LEU A 40 3.458 -7.562 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.819 -6.808 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.043 -5.744 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.340 -5.230 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.182 -7.983 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.631 -6.460 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.202 -7.793 -8.268 1.00 0.00 H new ATOM 620 N LYS A 41 5.514 -6.941 -9.756 1.00 0.00 N ATOM 621 CA LYS A 41 6.445 -8.029 -10.037 1.00 0.00 C ATOM 622 C LYS A 41 7.881 -7.586 -9.773 1.00 0.00 C ATOM 623 O LYS A 41 8.670 -8.308 -9.159 1.00 0.00 O ATOM 624 CB LYS A 41 6.273 -8.461 -11.495 1.00 0.00 C ATOM 625 CG LYS A 41 7.125 -9.651 -11.911 1.00 0.00 C ATOM 626 CD LYS A 41 8.330 -9.212 -12.728 1.00 0.00 C ATOM 627 CE LYS A 41 9.164 -10.400 -13.174 1.00 0.00 C ATOM 628 NZ LYS A 41 10.290 -9.984 -14.052 1.00 0.00 N ATOM 0 H LYS A 41 4.929 -6.682 -10.550 1.00 0.00 H new ATOM 0 HA LYS A 41 6.232 -8.872 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.224 -8.705 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.513 -7.616 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.461 -10.188 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.522 -10.346 -12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.994 -8.654 -13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.946 -8.536 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.557 -10.917 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.531 -11.110 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.837 -10.822 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.914 -9.512 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.908 -9.326 -13.536 1.00 0.00 H new ATOM 642 N ASN A 42 8.200 -6.391 -10.241 1.00 0.00 N ATOM 643 CA ASN A 42 9.526 -5.802 -10.050 1.00 0.00 C ATOM 644 C ASN A 42 9.861 -5.636 -8.567 1.00 0.00 C ATOM 645 O ASN A 42 10.993 -5.896 -8.152 1.00 0.00 O ATOM 646 CB ASN A 42 9.618 -4.444 -10.755 1.00 0.00 C ATOM 647 CG ASN A 42 9.882 -4.559 -12.244 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.547 -5.562 -12.880 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.485 -3.529 -12.808 1.00 0.00 N ATOM 0 H ASN A 42 7.554 -5.799 -10.763 1.00 0.00 H new ATOM 0 HA ASN A 42 10.252 -6.487 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.688 -3.897 -10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.414 -3.857 -10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.691 -3.543 -13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.745 -2.719 -12.245 1.00 0.00 H new ATOM 656 N TRP A 43 8.880 -5.207 -7.775 1.00 0.00 N ATOM 657 CA TRP A 43 9.092 -4.991 -6.344 1.00 0.00 C ATOM 658 C TRP A 43 9.522 -6.277 -5.653 1.00 0.00 C ATOM 659 O TRP A 43 10.419 -6.266 -4.807 1.00 0.00 O ATOM 660 CB TRP A 43 7.825 -4.464 -5.662 1.00 0.00 C ATOM 661 CG TRP A 43 7.391 -3.104 -6.114 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.137 -2.171 -6.779 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.102 -2.516 -5.910 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.382 -1.048 -7.014 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.130 -1.234 -6.488 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.920 -2.951 -5.299 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.027 -0.387 -6.475 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.826 -2.106 -5.286 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.886 -0.836 -5.871 1.00 0.00 C ATOM 0 H TRP A 43 7.934 -5.003 -8.098 1.00 0.00 H new ATOM 0 HA TRP A 43 9.883 -4.247 -6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.012 -5.168 -5.841 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.992 -4.438 -4.585 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.168 -2.298 -7.076 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.701 -0.211 -7.501 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.864 -3.930 -4.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.071 0.593 -6.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.909 -2.431 -4.816 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.014 -0.199 -5.845 1.00 0.00 H new ATOM 680 N ILE A 44 8.881 -7.380 -6.024 1.00 0.00 N ATOM 681 CA ILE A 44 9.146 -8.674 -5.408 1.00 0.00 C ATOM 682 C ILE A 44 10.606 -9.078 -5.593 1.00 0.00 C ATOM 683 O ILE A 44 11.238 -9.580 -4.669 1.00 0.00 O ATOM 684 CB ILE A 44 8.230 -9.769 -5.997 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.763 -9.361 -5.862 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.479 -11.104 -5.301 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.805 -10.311 -6.548 1.00 0.00 C ATOM 0 H ILE A 44 8.169 -7.403 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 44 8.937 -8.575 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 44 8.463 -9.885 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.507 -9.301 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.632 -8.362 -6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.825 -11.865 -5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.519 -11.399 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.271 -11.003 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.783 -9.959 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.034 -10.353 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.907 -11.306 -6.115 1.00 0.00 H new ATOM 699 N ILE A 45 11.137 -8.832 -6.781 1.00 0.00 N ATOM 700 CA ILE A 45 12.511 -9.211 -7.092 1.00 0.00 C ATOM 701 C ILE A 45 13.512 -8.256 -6.441 1.00 0.00 C ATOM 702 O ILE A 45 14.556 -8.677 -5.940 1.00 0.00 O ATOM 703 CB ILE A 45 12.758 -9.246 -8.617 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.757 -10.188 -9.297 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.191 -9.675 -8.927 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.904 -10.250 -10.800 1.00 0.00 C ATOM 0 H ILE A 45 10.641 -8.373 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 45 12.659 -10.212 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 45 12.613 -8.240 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.879 -11.191 -8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.745 -9.865 -9.053 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.340 -9.692 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.888 -8.969 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.369 -10.671 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.163 -10.936 -11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.752 -9.257 -11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.904 -10.602 -11.054 1.00 0.00 H new ATOM 718 N LYS A 46 13.179 -6.973 -6.441 1.00 0.00 N ATOM 719 CA LYS A 46 14.092 -5.945 -5.961 1.00 0.00 C ATOM 720 C LYS A 46 14.143 -5.918 -4.430 1.00 0.00 C ATOM 721 O LYS A 46 15.219 -6.002 -3.835 1.00 0.00 O ATOM 722 CB LYS A 46 13.665 -4.579 -6.513 1.00 0.00 C ATOM 723 CG LYS A 46 14.619 -3.442 -6.181 1.00 0.00 C ATOM 724 CD LYS A 46 14.163 -2.142 -6.827 1.00 0.00 C ATOM 725 CE LYS A 46 15.081 -0.979 -6.479 1.00 0.00 C ATOM 726 NZ LYS A 46 16.466 -1.159 -6.998 1.00 0.00 N ATOM 0 H LYS A 46 12.281 -6.618 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 46 15.095 -6.178 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.569 -4.652 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.678 -4.335 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.676 -3.315 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.622 -3.692 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.131 -2.267 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.148 -1.912 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.663 -0.058 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.116 -0.862 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.013 -0.290 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.922 -1.952 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.431 -1.361 -8.018 1.00 0.00 H new ATOM 740 N TYR A 47 12.980 -5.823 -3.795 1.00 0.00 N ATOM 741 CA TYR A 47 12.918 -5.702 -2.341 1.00 0.00 C ATOM 742 C TYR A 47 13.012 -7.073 -1.688 1.00 0.00 C ATOM 743 O TYR A 47 13.587 -7.224 -0.606 1.00 0.00 O ATOM 744 CB TYR A 47 11.643 -4.973 -1.919 1.00 0.00 C ATOM 745 CG TYR A 47 11.582 -3.553 -2.445 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.126 -2.497 -1.721 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.995 -3.271 -3.674 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.083 -1.205 -2.207 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.950 -1.982 -4.164 1.00 0.00 C ATOM 750 CZ TYR A 47 11.495 -0.954 -3.427 1.00 0.00 C ATOM 751 OH TYR A 47 11.447 0.333 -3.914 1.00 0.00 O ATOM 0 H TYR A 47 12.072 -5.827 -4.260 1.00 0.00 H new ATOM 0 HA TYR A 47 13.769 -5.111 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.776 -5.527 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.582 -4.956 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.589 -2.690 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.567 -4.075 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.509 -0.395 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.490 -1.780 -5.120 1.00 0.00 H new ATOM 0 HH TYR A 47 11.463 0.313 -4.894 1.00 0.00 H new ATOM 761 N GLY A 48 12.457 -8.068 -2.361 1.00 0.00 N ATOM 762 CA GLY A 48 12.637 -9.441 -1.945 1.00 0.00 C ATOM 763 C GLY A 48 13.863 -10.031 -2.600 1.00 0.00 C ATOM 764 O GLY A 48 13.769 -10.991 -3.368 1.00 0.00 O ATOM 0 H GLY A 48 11.881 -7.947 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.737 -9.489 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.757 -10.027 -2.211 1.00 0.00 H new ATOM 768 N SER A 49 15.010 -9.435 -2.278 1.00 0.00 N ATOM 769 CA SER A 49 16.282 -9.739 -2.919 1.00 0.00 C ATOM 770 C SER A 49 16.543 -11.241 -2.998 1.00 0.00 C ATOM 771 O SER A 49 17.073 -11.720 -4.006 1.00 0.00 O ATOM 772 CB SER A 49 17.408 -9.041 -2.156 1.00 0.00 C ATOM 773 OG SER A 49 17.107 -7.666 -1.965 1.00 0.00 O ATOM 0 H SER A 49 15.080 -8.719 -1.555 1.00 0.00 H new ATOM 0 HA SER A 49 16.243 -9.371 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.554 -9.524 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.343 -9.141 -2.706 1.00 0.00 H new ATOM 0 HG SER A 49 16.487 -7.367 -2.662 1.00 0.00 H new ATOM 779 N ASN A 50 16.183 -11.965 -1.928 1.00 0.00 N ATOM 780 CA ASN A 50 16.255 -13.433 -1.889 1.00 0.00 C ATOM 781 C ASN A 50 17.692 -13.945 -1.801 1.00 0.00 C ATOM 782 O ASN A 50 18.013 -14.779 -0.954 1.00 0.00 O ATOM 783 CB ASN A 50 15.554 -14.039 -3.110 1.00 0.00 C ATOM 784 CG ASN A 50 15.715 -15.542 -3.202 1.00 0.00 C ATOM 785 OD1 ASN A 50 16.651 -16.045 -3.829 1.00 0.00 O ATOM 786 ND2 ASN A 50 14.802 -16.268 -2.582 1.00 0.00 N ATOM 0 H ASN A 50 15.834 -11.549 -1.065 1.00 0.00 H new ATOM 0 HA ASN A 50 15.741 -13.751 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.492 -13.795 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.953 -13.581 -4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.855 -17.286 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.045 -15.810 -2.075 1.00 0.00 H new ATOM 793 N HIS A 51 18.544 -13.439 -2.674 1.00 0.00 N ATOM 794 CA HIS A 51 19.925 -13.885 -2.750 1.00 0.00 C ATOM 795 C HIS A 51 20.732 -13.328 -1.590 1.00 0.00 C ATOM 796 O HIS A 51 20.652 -12.138 -1.276 1.00 0.00 O ATOM 797 CB HIS A 51 20.563 -13.464 -4.078 1.00 0.00 C ATOM 798 CG HIS A 51 19.884 -14.034 -5.285 1.00 0.00 C ATOM 799 ND1 HIS A 51 20.224 -15.250 -5.835 1.00 0.00 N ATOM 800 CD2 HIS A 51 18.878 -13.550 -6.047 1.00 0.00 C ATOM 801 CE1 HIS A 51 19.458 -15.485 -6.883 1.00 0.00 C ATOM 802 NE2 HIS A 51 18.630 -14.469 -7.033 1.00 0.00 N ATOM 0 H HIS A 51 18.301 -12.712 -3.347 1.00 0.00 H new ATOM 0 HA HIS A 51 19.928 -14.973 -2.692 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.552 -12.376 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 51 21.608 -13.773 -4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 51 18.364 -12.611 -5.905 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.501 -16.362 -7.512 1.00 0.00 H new ATOM 0 HE2 HIS A 51 17.922 -14.382 -7.762 1.00 0.00 H new ATOM 811 N ASN A 52 21.506 -14.194 -0.962 1.00 0.00 N ATOM 812 CA ASN A 52 22.367 -13.799 0.127 1.00 0.00 C ATOM 813 C ASN A 52 23.684 -14.536 0.000 1.00 0.00 C ATOM 814 O ASN A 52 23.751 -15.750 0.170 1.00 0.00 O ATOM 815 CB ASN A 52 21.728 -14.082 1.488 1.00 0.00 C ATOM 816 CG ASN A 52 22.568 -13.537 2.630 1.00 0.00 C ATOM 817 OD1 ASN A 52 23.446 -14.220 3.151 1.00 0.00 O ATOM 818 ND2 ASN A 52 22.323 -12.292 3.010 1.00 0.00 N ATOM 0 H ASN A 52 21.552 -15.186 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 52 22.532 -12.723 0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.734 -13.636 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 52 21.599 -15.157 1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.872 -11.870 3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.585 -11.755 2.554 1.00 0.00 H new ATOM 825 N VAL A 53 24.709 -13.779 -0.342 1.00 0.00 N ATOM 826 CA VAL A 53 26.056 -14.301 -0.594 1.00 0.00 C ATOM 827 C VAL A 53 26.594 -15.207 0.516 1.00 0.00 C ATOM 828 O VAL A 53 27.430 -16.071 0.251 1.00 0.00 O ATOM 829 CB VAL A 53 27.054 -13.148 -0.801 1.00 0.00 C ATOM 830 CG1 VAL A 53 26.828 -12.477 -2.148 1.00 0.00 C ATOM 831 CG2 VAL A 53 26.948 -12.129 0.325 1.00 0.00 C ATOM 0 H VAL A 53 24.637 -12.768 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 53 25.960 -14.907 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 53 28.060 -13.567 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 53 27.544 -11.665 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 53 26.963 -13.207 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 53 25.815 -12.078 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 53 27.663 -11.324 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 53 25.939 -11.718 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 53 27.166 -12.614 1.276 1.00 0.00 H new ATOM 841 N GLN A 54 26.119 -15.006 1.740 1.00 0.00 N ATOM 842 CA GLN A 54 26.624 -15.720 2.905 1.00 0.00 C ATOM 843 C GLN A 54 28.103 -15.413 3.114 1.00 0.00 C ATOM 844 O GLN A 54 28.982 -16.155 2.674 1.00 0.00 O ATOM 845 CB GLN A 54 26.404 -17.227 2.770 1.00 0.00 C ATOM 846 CG GLN A 54 24.947 -17.663 2.826 1.00 0.00 C ATOM 847 CD GLN A 54 24.372 -17.608 4.230 1.00 0.00 C ATOM 848 OE1 GLN A 54 24.480 -18.566 4.991 1.00 0.00 O ATOM 849 NE2 GLN A 54 23.744 -16.497 4.577 1.00 0.00 N ATOM 0 H GLN A 54 25.373 -14.343 1.952 1.00 0.00 H new ATOM 0 HA GLN A 54 26.067 -15.378 3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 54 26.833 -17.560 1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.952 -17.733 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.355 -17.024 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.861 -18.680 2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.675 -15.723 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.329 -16.415 5.505 1.00 0.00 H new ATOM 858 N GLY A 55 28.365 -14.293 3.761 1.00 0.00 N ATOM 859 CA GLY A 55 29.726 -13.867 3.986 1.00 0.00 C ATOM 860 C GLY A 55 29.780 -12.586 4.777 1.00 0.00 C ATOM 861 O GLY A 55 29.420 -12.575 5.950 1.00 0.00 O ATOM 0 H GLY A 55 27.654 -13.666 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.269 -14.648 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.227 -13.726 3.028 1.00 0.00 H new ATOM 865 N THR A 56 30.181 -11.504 4.107 1.00 0.00 N ATOM 866 CA THR A 56 30.327 -10.185 4.720 1.00 0.00 C ATOM 867 C THR A 56 31.079 -10.252 6.048 1.00 0.00 C ATOM 868 O THR A 56 30.486 -10.449 7.108 1.00 0.00 O ATOM 869 CB THR A 56 28.961 -9.486 4.913 1.00 0.00 C ATOM 870 OG1 THR A 56 28.024 -10.355 5.569 1.00 0.00 O ATOM 871 CG2 THR A 56 28.388 -9.043 3.577 1.00 0.00 C ATOM 0 H THR A 56 30.415 -11.520 3.114 1.00 0.00 H new ATOM 0 HA THR A 56 30.919 -9.589 4.026 1.00 0.00 H new ATOM 0 HB THR A 56 29.128 -8.610 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 56 28.511 -11.031 6.085 1.00 0.00 H new ATOM 0 HG21 THR A 56 27.427 -8.554 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.075 -8.345 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.250 -9.912 2.934 1.00 0.00 H new ATOM 879 N THR A 57 32.386 -10.071 5.988 1.00 0.00 N ATOM 880 CA THR A 57 33.222 -10.195 7.168 1.00 0.00 C ATOM 881 C THR A 57 34.278 -9.090 7.215 1.00 0.00 C ATOM 882 O THR A 57 35.209 -9.062 6.406 1.00 0.00 O ATOM 883 CB THR A 57 33.887 -11.592 7.229 1.00 0.00 C ATOM 884 OG1 THR A 57 34.897 -11.637 8.246 1.00 0.00 O ATOM 885 CG2 THR A 57 34.495 -11.979 5.885 1.00 0.00 C ATOM 0 H THR A 57 32.892 -9.837 5.134 1.00 0.00 H new ATOM 0 HA THR A 57 32.581 -10.084 8.043 1.00 0.00 H new ATOM 0 HB THR A 57 33.104 -12.309 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 57 35.301 -12.529 8.266 1.00 0.00 H new ATOM 0 HG21 THR A 57 34.953 -12.965 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 57 33.714 -12.001 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 57 35.253 -11.248 5.605 1.00 0.00 H new ATOM 893 N PRO A 58 34.122 -8.145 8.152 1.00 0.00 N ATOM 894 CA PRO A 58 35.063 -7.036 8.325 1.00 0.00 C ATOM 895 C PRO A 58 36.430 -7.520 8.784 1.00 0.00 C ATOM 896 O PRO A 58 37.453 -6.915 8.477 1.00 0.00 O ATOM 897 CB PRO A 58 34.405 -6.167 9.402 1.00 0.00 C ATOM 898 CG PRO A 58 33.489 -7.087 10.132 1.00 0.00 C ATOM 899 CD PRO A 58 33.007 -8.082 9.115 1.00 0.00 C ATOM 0 HA PRO A 58 35.245 -6.501 7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 58 35.150 -5.738 10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 58 33.858 -5.335 8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 58 34.008 -7.586 10.951 1.00 0.00 H new ATOM 0 HG3 PRO A 58 32.654 -6.540 10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 58 32.808 -9.054 9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 58 32.082 -7.756 8.639 1.00 0.00 H new ATOM 907 N SER A 59 36.430 -8.631 9.498 1.00 0.00 N ATOM 908 CA SER A 59 37.651 -9.198 10.048 1.00 0.00 C ATOM 909 C SER A 59 38.585 -9.666 8.935 1.00 0.00 C ATOM 910 O SER A 59 39.807 -9.521 9.026 1.00 0.00 O ATOM 911 CB SER A 59 37.302 -10.361 10.976 1.00 0.00 C ATOM 912 OG SER A 59 36.301 -9.976 11.899 1.00 0.00 O ATOM 0 H SER A 59 35.588 -9.165 9.713 1.00 0.00 H new ATOM 0 HA SER A 59 38.170 -8.427 10.617 1.00 0.00 H new ATOM 0 HB2 SER A 59 36.955 -11.211 10.389 1.00 0.00 H new ATOM 0 HB3 SER A 59 38.194 -10.686 11.512 1.00 0.00 H new ATOM 0 HG SER A 59 36.088 -10.732 12.485 1.00 0.00 H new ATOM 918 N ALA A 60 38.007 -10.210 7.871 1.00 0.00 N ATOM 919 CA ALA A 60 38.793 -10.676 6.737 1.00 0.00 C ATOM 920 C ALA A 60 39.196 -9.513 5.846 1.00 0.00 C ATOM 921 O ALA A 60 40.149 -9.609 5.073 1.00 0.00 O ATOM 922 CB ALA A 60 38.025 -11.715 5.941 1.00 0.00 C ATOM 0 H ALA A 60 37.000 -10.339 7.770 1.00 0.00 H new ATOM 0 HA ALA A 60 39.700 -11.142 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 60 38.631 -12.049 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 60 37.793 -12.566 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 60 37.098 -11.277 5.570 1.00 0.00 H new ATOM 928 N ALA A 61 38.473 -8.406 5.967 1.00 0.00 N ATOM 929 CA ALA A 61 38.738 -7.228 5.150 1.00 0.00 C ATOM 930 C ALA A 61 39.901 -6.422 5.712 1.00 0.00 C ATOM 931 O ALA A 61 40.372 -5.471 5.092 1.00 0.00 O ATOM 932 CB ALA A 61 37.493 -6.365 5.036 1.00 0.00 C ATOM 0 H ALA A 61 37.699 -8.299 6.623 1.00 0.00 H new ATOM 0 HA ALA A 61 39.015 -7.566 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 37.711 -5.491 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 61 36.692 -6.942 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 37.182 -6.042 6.030 1.00 0.00 H new ATOM 938 N VAL A 62 40.378 -6.827 6.875 1.00 0.00 N ATOM 939 CA VAL A 62 41.530 -6.185 7.490 1.00 0.00 C ATOM 940 C VAL A 62 42.806 -6.663 6.810 1.00 0.00 C ATOM 941 O VAL A 62 43.767 -5.913 6.647 1.00 0.00 O ATOM 942 CB VAL A 62 41.610 -6.476 9.006 1.00 0.00 C ATOM 943 CG1 VAL A 62 42.790 -5.751 9.636 1.00 0.00 C ATOM 944 CG2 VAL A 62 40.315 -6.080 9.699 1.00 0.00 C ATOM 0 H VAL A 62 39.986 -7.599 7.415 1.00 0.00 H new ATOM 0 HA VAL A 62 41.418 -5.108 7.363 1.00 0.00 H new ATOM 0 HB VAL A 62 41.758 -7.548 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 42.825 -5.971 10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 62 43.715 -6.085 9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 62 42.676 -4.677 9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 62 40.393 -6.293 10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 62 40.136 -5.015 9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 62 39.487 -6.648 9.275 1.00 0.00 H new ATOM 954 N SER A 63 42.786 -7.913 6.388 1.00 0.00 N ATOM 955 CA SER A 63 43.909 -8.515 5.692 1.00 0.00 C ATOM 956 C SER A 63 44.099 -7.868 4.325 1.00 0.00 C ATOM 957 O SER A 63 45.213 -7.768 3.811 1.00 0.00 O ATOM 958 CB SER A 63 43.647 -10.007 5.527 1.00 0.00 C ATOM 959 OG SER A 63 43.201 -10.572 6.750 1.00 0.00 O ATOM 0 H SER A 63 41.992 -8.540 6.517 1.00 0.00 H new ATOM 0 HA SER A 63 44.818 -8.360 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 63 42.898 -10.167 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 63 44.558 -10.508 5.199 1.00 0.00 H new ATOM 0 HG SER A 63 43.036 -11.530 6.627 1.00 0.00 H new ATOM 965 N GLU A 64 42.993 -7.423 3.752 1.00 0.00 N ATOM 966 CA GLU A 64 42.997 -6.795 2.440 1.00 0.00 C ATOM 967 C GLU A 64 43.610 -5.396 2.507 1.00 0.00 C ATOM 968 O GLU A 64 44.027 -4.841 1.492 1.00 0.00 O ATOM 969 CB GLU A 64 41.571 -6.718 1.893 1.00 0.00 C ATOM 970 CG GLU A 64 41.498 -6.478 0.393 1.00 0.00 C ATOM 971 CD GLU A 64 41.943 -7.685 -0.414 1.00 0.00 C ATOM 972 OE1 GLU A 64 43.163 -7.902 -0.552 1.00 0.00 O ATOM 973 OE2 GLU A 64 41.067 -8.423 -0.918 1.00 0.00 O ATOM 0 H GLU A 64 42.070 -7.486 4.181 1.00 0.00 H new ATOM 0 HA GLU A 64 43.605 -7.403 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 41.052 -7.647 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 41.039 -5.917 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 64 40.475 -6.220 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 42.122 -5.623 0.135 1.00 0.00 H new ATOM 980 N ALA A 65 43.675 -4.839 3.713 1.00 0.00 N ATOM 981 CA ALA A 65 44.169 -3.478 3.919 1.00 0.00 C ATOM 982 C ALA A 65 45.613 -3.325 3.448 1.00 0.00 C ATOM 983 O ALA A 65 46.029 -2.232 3.058 1.00 0.00 O ATOM 984 CB ALA A 65 44.044 -3.079 5.383 1.00 0.00 C ATOM 0 H ALA A 65 43.389 -5.313 4.570 1.00 0.00 H new ATOM 0 HA ALA A 65 43.551 -2.811 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 65 44.417 -2.063 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 65 42.997 -3.124 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 65 44.628 -3.764 5.998 1.00 0.00 H new ATOM 990 N GLU A 66 46.368 -4.421 3.472 1.00 0.00 N ATOM 991 CA GLU A 66 47.749 -4.408 2.995 1.00 0.00 C ATOM 992 C GLU A 66 47.768 -4.063 1.504 1.00 0.00 C ATOM 993 O GLU A 66 48.601 -3.284 1.038 1.00 0.00 O ATOM 994 CB GLU A 66 48.396 -5.776 3.236 1.00 0.00 C ATOM 995 CG GLU A 66 49.852 -5.716 3.685 1.00 0.00 C ATOM 996 CD GLU A 66 50.789 -5.143 2.639 1.00 0.00 C ATOM 997 OE1 GLU A 66 50.985 -3.913 2.625 1.00 0.00 O ATOM 998 OE2 GLU A 66 51.352 -5.921 1.839 1.00 0.00 O ATOM 0 H GLU A 66 46.048 -5.327 3.815 1.00 0.00 H new ATOM 0 HA GLU A 66 48.317 -3.655 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 66 47.818 -6.309 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 48.336 -6.359 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 66 49.919 -5.112 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 66 50.184 -6.721 3.946 1.00 0.00 H new ATOM 1005 N GLN A 67 46.816 -4.627 0.773 1.00 0.00 N ATOM 1006 CA GLN A 67 46.676 -4.374 -0.656 1.00 0.00 C ATOM 1007 C GLN A 67 46.046 -3.001 -0.880 1.00 0.00 C ATOM 1008 O GLN A 67 46.473 -2.242 -1.749 1.00 0.00 O ATOM 1009 CB GLN A 67 45.804 -5.450 -1.327 1.00 0.00 C ATOM 1010 CG GLN A 67 46.409 -6.853 -1.356 1.00 0.00 C ATOM 1011 CD GLN A 67 46.626 -7.450 0.024 1.00 0.00 C ATOM 1012 OE1 GLN A 67 47.710 -7.348 0.592 1.00 0.00 O ATOM 1013 NE2 GLN A 67 45.592 -8.054 0.588 1.00 0.00 N ATOM 0 H GLN A 67 46.121 -5.271 1.151 1.00 0.00 H new ATOM 0 HA GLN A 67 47.670 -4.404 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 67 44.847 -5.495 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 67 45.596 -5.140 -2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 67 45.754 -7.510 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 67 47.363 -6.817 -1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 67 44.706 -8.121 0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 67 45.682 -8.452 1.523 1.00 0.00 H new ATOM 1022 N ILE A 68 45.032 -2.698 -0.074 1.00 0.00 N ATOM 1023 CA ILE A 68 44.304 -1.435 -0.164 1.00 0.00 C ATOM 1024 C ILE A 68 45.244 -0.238 -0.041 1.00 0.00 C ATOM 1025 O ILE A 68 45.175 0.696 -0.840 1.00 0.00 O ATOM 1026 CB ILE A 68 43.205 -1.339 0.921 1.00 0.00 C ATOM 1027 CG1 ILE A 68 42.149 -2.425 0.704 1.00 0.00 C ATOM 1028 CG2 ILE A 68 42.562 0.042 0.917 1.00 0.00 C ATOM 1029 CD1 ILE A 68 41.054 -2.433 1.750 1.00 0.00 C ATOM 0 H ILE A 68 44.692 -3.320 0.659 1.00 0.00 H new ATOM 0 HA ILE A 68 43.833 -1.413 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 68 43.668 -1.494 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 68 41.698 -2.289 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.639 -3.399 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.792 0.087 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 68 43.321 0.798 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 68 42.111 0.231 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 68 40.344 -3.230 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 68 41.492 -2.601 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 68 40.536 -1.474 1.742 1.00 0.00 H new ATOM 1041 N ARG A 69 46.142 -0.281 0.940 1.00 0.00 N ATOM 1042 CA ARG A 69 47.037 0.843 1.185 1.00 0.00 C ATOM 1043 C ARG A 69 47.993 1.060 0.012 1.00 0.00 C ATOM 1044 O ARG A 69 48.431 2.183 -0.230 1.00 0.00 O ATOM 1045 CB ARG A 69 47.819 0.673 2.495 1.00 0.00 C ATOM 1046 CG ARG A 69 48.825 -0.468 2.506 1.00 0.00 C ATOM 1047 CD ARG A 69 49.636 -0.463 3.793 1.00 0.00 C ATOM 1048 NE ARG A 69 50.596 -1.565 3.852 1.00 0.00 N ATOM 1049 CZ ARG A 69 51.633 -1.615 4.690 1.00 0.00 C ATOM 1050 NH1 ARG A 69 51.885 -0.605 5.519 1.00 0.00 N ATOM 1051 NH2 ARG A 69 52.427 -2.679 4.680 1.00 0.00 N ATOM 0 H ARG A 69 46.268 -1.073 1.571 1.00 0.00 H new ATOM 0 HA ARG A 69 46.412 1.731 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 69 48.346 1.603 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 69 47.108 0.517 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 69 48.303 -1.419 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 69 49.493 -0.377 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 69 50.169 0.484 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 69 48.960 -0.528 4.645 1.00 0.00 H new ATOM 0 HE ARG A 69 50.464 -2.347 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 69 51.283 0.218 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 69 52.681 -0.654 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 69 52.241 -3.448 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 69 53.223 -2.728 5.316 1.00 0.00 H new ATOM 1065 N GLN A 70 48.308 -0.005 -0.718 1.00 0.00 N ATOM 1066 CA GLN A 70 49.177 0.099 -1.877 1.00 0.00 C ATOM 1067 C GLN A 70 48.476 0.846 -3.001 1.00 0.00 C ATOM 1068 O GLN A 70 49.009 1.799 -3.569 1.00 0.00 O ATOM 1069 CB GLN A 70 49.546 -1.290 -2.380 1.00 0.00 C ATOM 1070 CG GLN A 70 50.638 -1.267 -3.429 1.00 0.00 C ATOM 1071 CD GLN A 70 50.693 -2.539 -4.261 1.00 0.00 C ATOM 1072 OE1 GLN A 70 50.048 -2.637 -5.305 1.00 0.00 O ATOM 1073 NE2 GLN A 70 51.465 -3.513 -3.813 1.00 0.00 N ATOM 0 H GLN A 70 47.973 -0.949 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 70 50.075 0.640 -1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 70 49.871 -1.901 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 70 48.659 -1.767 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 70 50.481 -0.414 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 70 51.601 -1.118 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 70 51.984 -3.393 -2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 70 51.542 -4.385 -4.337 1.00 0.00 H new ATOM 1082 N LEU A 71 47.270 0.396 -3.305 1.00 0.00 N ATOM 1083 CA LEU A 71 46.504 0.912 -4.425 1.00 0.00 C ATOM 1084 C LEU A 71 45.990 2.324 -4.176 1.00 0.00 C ATOM 1085 O LEU A 71 45.917 3.134 -5.104 1.00 0.00 O ATOM 1086 CB LEU A 71 45.328 -0.020 -4.721 1.00 0.00 C ATOM 1087 CG LEU A 71 45.627 -1.200 -5.653 1.00 0.00 C ATOM 1088 CD1 LEU A 71 46.173 -0.705 -6.987 1.00 0.00 C ATOM 1089 CD2 LEU A 71 46.600 -2.177 -5.008 1.00 0.00 C ATOM 0 H LEU A 71 46.795 -0.339 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 71 47.174 0.956 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 71 44.955 -0.414 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 71 44.523 0.570 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 71 44.691 -1.728 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 46.379 -1.557 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 71 45.437 -0.057 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 71 47.094 -0.146 -6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 71 46.793 -3.003 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 71 47.536 -1.665 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 71 46.169 -2.564 -4.085 1.00 0.00 H new ATOM 1101 N LYS A 72 45.624 2.621 -2.936 1.00 0.00 N ATOM 1102 CA LYS A 72 45.013 3.906 -2.624 1.00 0.00 C ATOM 1103 C LYS A 72 46.058 5.012 -2.458 1.00 0.00 C ATOM 1104 O LYS A 72 45.780 6.180 -2.741 1.00 0.00 O ATOM 1105 CB LYS A 72 44.152 3.806 -1.367 1.00 0.00 C ATOM 1106 CG LYS A 72 43.242 5.009 -1.174 1.00 0.00 C ATOM 1107 CD LYS A 72 42.428 4.916 0.102 1.00 0.00 C ATOM 1108 CE LYS A 72 41.451 6.076 0.207 1.00 0.00 C ATOM 1109 NZ LYS A 72 42.140 7.395 0.132 1.00 0.00 N ATOM 0 H LYS A 72 45.738 1.997 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 72 44.379 4.171 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 72 43.545 2.902 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 72 44.800 3.704 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 72 43.844 5.917 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 72 42.568 5.093 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 72 41.882 3.973 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 72 43.095 4.917 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 72 40.716 6.005 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 72 40.904 6.006 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 41.474 8.150 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 42.946 7.403 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 42.482 7.553 -0.837 1.00 0.00 H new ATOM 1123 N LYS A 73 47.247 4.649 -1.996 1.00 0.00 N ATOM 1124 CA LYS A 73 48.317 5.625 -1.816 1.00 0.00 C ATOM 1125 C LYS A 73 48.998 5.908 -3.144 1.00 0.00 C ATOM 1126 O LYS A 73 49.810 5.108 -3.613 1.00 0.00 O ATOM 1127 CB LYS A 73 49.342 5.132 -0.789 1.00 0.00 C ATOM 1128 CG LYS A 73 50.510 6.089 -0.565 1.00 0.00 C ATOM 1129 CD LYS A 73 50.067 7.444 -0.018 1.00 0.00 C ATOM 1130 CE LYS A 73 49.764 7.408 1.480 1.00 0.00 C ATOM 1131 NZ LYS A 73 48.544 6.618 1.802 1.00 0.00 N ATOM 0 H LYS A 73 47.495 3.693 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 73 47.876 6.548 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 73 48.836 4.965 0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 73 49.733 4.169 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 73 51.217 5.636 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 73 51.038 6.237 -1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 73 50.848 8.180 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 73 49.179 7.775 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 73 50.617 6.983 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 49.639 8.427 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 48.067 7.036 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 47.898 6.628 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 48.813 5.637 2.018 1.00 0.00 H new ATOM 1145 N GLU A 74 48.649 7.054 -3.730 1.00 0.00 N ATOM 1146 CA GLU A 74 49.153 7.473 -5.039 1.00 0.00 C ATOM 1147 C GLU A 74 48.642 6.544 -6.138 1.00 0.00 C ATOM 1148 O GLU A 74 48.989 5.360 -6.189 1.00 0.00 O ATOM 1149 CB GLU A 74 50.682 7.527 -5.052 1.00 0.00 C ATOM 1150 CG GLU A 74 51.256 8.453 -3.995 1.00 0.00 C ATOM 1151 CD GLU A 74 52.767 8.450 -3.974 1.00 0.00 C ATOM 1152 OE1 GLU A 74 53.361 7.488 -3.434 1.00 0.00 O ATOM 1153 OE2 GLU A 74 53.374 9.410 -4.491 1.00 0.00 O ATOM 0 H GLU A 74 48.005 7.722 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 74 48.778 8.478 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 74 51.076 6.522 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 74 51.019 7.855 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 74 50.901 9.468 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 74 50.883 8.155 -3.015 1.00 0.00 H new ATOM 1160 N ASN A 75 47.816 7.089 -7.017 1.00 0.00 N ATOM 1161 CA ASN A 75 47.191 6.296 -8.066 1.00 0.00 C ATOM 1162 C ASN A 75 47.364 6.982 -9.421 1.00 0.00 C ATOM 1163 O ASN A 75 47.888 8.098 -9.493 1.00 0.00 O ATOM 1164 CB ASN A 75 45.704 6.091 -7.745 1.00 0.00 C ATOM 1165 CG ASN A 75 45.094 4.912 -8.480 1.00 0.00 C ATOM 1166 OD1 ASN A 75 44.601 5.047 -9.597 1.00 0.00 O ATOM 1167 ND2 ASN A 75 45.122 3.746 -7.850 1.00 0.00 N ATOM 0 H ASN A 75 47.562 8.077 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 75 47.675 5.320 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 75 45.587 5.942 -6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 75 45.154 6.996 -8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 75 44.724 2.918 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 75 45.541 3.677 -6.923 1.00 0.00 H new ATOM 1174 N ALA A 76 46.902 6.331 -10.484 1.00 0.00 N ATOM 1175 CA ALA A 76 47.094 6.816 -11.846 1.00 0.00 C ATOM 1176 C ALA A 76 46.507 8.209 -12.050 1.00 0.00 C ATOM 1177 O ALA A 76 46.987 8.967 -12.887 1.00 0.00 O ATOM 1178 CB ALA A 76 46.484 5.839 -12.838 1.00 0.00 C ATOM 0 H ALA A 76 46.385 5.454 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 76 48.168 6.889 -12.019 1.00 0.00 H new ATOM 0 HB1 ALA A 76 46.632 6.210 -13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.965 4.866 -12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 76 45.417 5.739 -12.641 1.00 0.00 H new ATOM 1184 N LEU A 77 45.487 8.545 -11.268 1.00 0.00 N ATOM 1185 CA LEU A 77 44.825 9.846 -11.358 1.00 0.00 C ATOM 1186 C LEU A 77 45.817 10.995 -11.162 1.00 0.00 C ATOM 1187 O LEU A 77 45.609 12.104 -11.660 1.00 0.00 O ATOM 1188 CB LEU A 77 43.714 9.932 -10.312 1.00 0.00 C ATOM 1189 CG LEU A 77 42.554 8.951 -10.507 1.00 0.00 C ATOM 1190 CD1 LEU A 77 41.554 9.078 -9.366 1.00 0.00 C ATOM 1191 CD2 LEU A 77 41.870 9.194 -11.845 1.00 0.00 C ATOM 0 H LEU A 77 45.095 7.928 -10.556 1.00 0.00 H new ATOM 0 HA LEU A 77 44.398 9.940 -12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 77 44.150 9.762 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 77 43.315 10.946 -10.313 1.00 0.00 H new ATOM 0 HG LEU A 77 42.954 7.937 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.736 8.374 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 77 42.050 8.857 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 41.159 10.094 -9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 77 41.048 8.488 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 77 41.482 10.212 -11.875 1.00 0.00 H new ATOM 0 HD23 LEU A 77 42.590 9.056 -12.652 1.00 0.00 H new ATOM 1203 N GLN A 78 46.894 10.725 -10.443 1.00 0.00 N ATOM 1204 CA GLN A 78 47.909 11.733 -10.182 1.00 0.00 C ATOM 1205 C GLN A 78 48.836 11.890 -11.386 1.00 0.00 C ATOM 1206 O GLN A 78 49.049 12.996 -11.881 1.00 0.00 O ATOM 1207 CB GLN A 78 48.717 11.350 -8.940 1.00 0.00 C ATOM 1208 CG GLN A 78 47.894 11.317 -7.657 1.00 0.00 C ATOM 1209 CD GLN A 78 47.413 12.693 -7.227 1.00 0.00 C ATOM 1210 OE1 GLN A 78 48.073 13.700 -7.485 1.00 0.00 O ATOM 1211 NE2 GLN A 78 46.256 12.752 -6.589 1.00 0.00 N ATOM 0 H GLN A 78 47.089 9.814 -10.028 1.00 0.00 H new ATOM 0 HA GLN A 78 47.413 12.687 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 78 49.166 10.369 -9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 78 49.536 12.059 -8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 78 47.032 10.665 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 78 48.494 10.881 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 78 45.737 11.896 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 78 45.882 13.654 -6.293 1.00 0.00 H new ATOM 1220 N ARG A 79 49.359 10.769 -11.873 1.00 0.00 N ATOM 1221 CA ARG A 79 50.380 10.786 -12.921 1.00 0.00 C ATOM 1222 C ARG A 79 49.759 10.943 -14.308 1.00 0.00 C ATOM 1223 O ARG A 79 50.451 11.243 -15.284 1.00 0.00 O ATOM 1224 CB ARG A 79 51.221 9.505 -12.853 1.00 0.00 C ATOM 1225 CG ARG A 79 52.588 9.642 -13.510 1.00 0.00 C ATOM 1226 CD ARG A 79 53.392 10.766 -12.874 1.00 0.00 C ATOM 1227 NE ARG A 79 54.709 10.924 -13.488 1.00 0.00 N ATOM 1228 CZ ARG A 79 55.109 12.026 -14.119 1.00 0.00 C ATOM 1229 NH1 ARG A 79 54.281 13.052 -14.270 1.00 0.00 N ATOM 1230 NH2 ARG A 79 56.341 12.107 -14.603 1.00 0.00 N ATOM 0 H ARG A 79 49.094 9.835 -11.560 1.00 0.00 H new ATOM 0 HA ARG A 79 51.024 11.648 -12.750 1.00 0.00 H new ATOM 0 HB2 ARG A 79 51.355 9.222 -11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 79 50.674 8.695 -13.335 1.00 0.00 H new ATOM 0 HG2 ARG A 79 53.134 8.703 -13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 79 52.465 9.837 -14.575 1.00 0.00 H new ATOM 0 HD2 ARG A 79 52.838 11.701 -12.963 1.00 0.00 H new ATOM 0 HD3 ARG A 79 53.512 10.566 -11.809 1.00 0.00 H new ATOM 0 HE ARG A 79 55.361 10.142 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 79 53.331 12.999 -13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 79 54.594 13.893 -14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 79 56.985 11.324 -14.492 1.00 0.00 H new ATOM 0 HH22 ARG A 79 56.645 12.953 -15.086 1.00 0.00 H new ATOM 1244 N ALA A 80 48.452 10.747 -14.381 1.00 0.00 N ATOM 1245 CA ALA A 80 47.706 10.840 -15.638 1.00 0.00 C ATOM 1246 C ALA A 80 47.868 12.200 -16.313 1.00 0.00 C ATOM 1247 O ALA A 80 47.591 12.339 -17.500 1.00 0.00 O ATOM 1248 CB ALA A 80 46.231 10.561 -15.398 1.00 0.00 C ATOM 0 H ALA A 80 47.873 10.519 -13.573 1.00 0.00 H new ATOM 0 HA ALA A 80 48.121 10.088 -16.309 1.00 0.00 H new ATOM 0 HB1 ALA A 80 45.689 10.634 -16.341 1.00 0.00 H new ATOM 0 HB2 ALA A 80 46.112 9.558 -14.988 1.00 0.00 H new ATOM 0 HB3 ALA A 80 45.833 11.291 -14.693 1.00 0.00 H new ATOM 1254 N ARG A 81 48.298 13.200 -15.548 1.00 0.00 N ATOM 1255 CA ARG A 81 48.430 14.576 -16.042 1.00 0.00 C ATOM 1256 C ARG A 81 49.286 14.672 -17.305 1.00 0.00 C ATOM 1257 O ARG A 81 49.124 15.594 -18.111 1.00 0.00 O ATOM 1258 CB ARG A 81 49.066 15.454 -14.966 1.00 0.00 C ATOM 1259 CG ARG A 81 48.242 15.591 -13.700 1.00 0.00 C ATOM 1260 CD ARG A 81 48.963 16.443 -12.667 1.00 0.00 C ATOM 1261 NE ARG A 81 48.228 16.514 -11.405 1.00 0.00 N ATOM 1262 CZ ARG A 81 48.526 17.359 -10.417 1.00 0.00 C ATOM 1263 NH1 ARG A 81 49.537 18.208 -10.541 1.00 0.00 N ATOM 1264 NH2 ARG A 81 47.811 17.352 -9.301 1.00 0.00 N ATOM 0 H ARG A 81 48.565 13.084 -14.570 1.00 0.00 H new ATOM 0 HA ARG A 81 47.424 14.916 -16.286 1.00 0.00 H new ATOM 0 HB2 ARG A 81 50.041 15.041 -14.707 1.00 0.00 H new ATOM 0 HB3 ARG A 81 49.240 16.447 -15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 81 47.277 16.040 -13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 81 48.041 14.603 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 81 49.955 16.030 -12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 81 49.104 17.449 -13.062 1.00 0.00 H new ATOM 0 HE ARG A 81 47.440 15.880 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 81 50.093 18.218 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 81 49.759 18.851 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 81 47.033 16.700 -9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 81 48.039 17.998 -8.545 1.00 0.00 H new ATOM 1278 N THR A 82 50.182 13.725 -17.473 1.00 0.00 N ATOM 1279 CA THR A 82 51.128 13.744 -18.582 1.00 0.00 C ATOM 1280 C THR A 82 50.486 13.322 -19.906 1.00 0.00 C ATOM 1281 O THR A 82 50.823 13.854 -20.966 1.00 0.00 O ATOM 1282 CB THR A 82 52.334 12.836 -18.275 1.00 0.00 C ATOM 1283 OG1 THR A 82 52.860 13.164 -16.983 1.00 0.00 O ATOM 1284 CG2 THR A 82 53.427 13.000 -19.321 1.00 0.00 C ATOM 0 H THR A 82 50.281 12.922 -16.852 1.00 0.00 H new ATOM 0 HA THR A 82 51.463 14.775 -18.694 1.00 0.00 H new ATOM 0 HB THR A 82 51.996 11.800 -18.292 1.00 0.00 H new ATOM 0 HG1 THR A 82 53.626 12.586 -16.785 1.00 0.00 H new ATOM 0 HG21 THR A 82 54.265 12.347 -19.077 1.00 0.00 H new ATOM 0 HG22 THR A 82 53.034 12.735 -20.303 1.00 0.00 H new ATOM 0 HG23 THR A 82 53.766 14.036 -19.333 1.00 0.00 H new ATOM 1292 N ARG A 83 49.549 12.394 -19.840 1.00 0.00 N ATOM 1293 CA ARG A 83 48.948 11.833 -21.039 1.00 0.00 C ATOM 1294 C ARG A 83 47.436 12.000 -21.023 1.00 0.00 C ATOM 1295 O ARG A 83 46.893 12.702 -20.172 1.00 0.00 O ATOM 1296 CB ARG A 83 49.331 10.362 -21.161 1.00 0.00 C ATOM 1297 CG ARG A 83 50.803 10.159 -21.480 1.00 0.00 C ATOM 1298 CD ARG A 83 51.172 8.691 -21.597 1.00 0.00 C ATOM 1299 NE ARG A 83 52.598 8.521 -21.882 1.00 0.00 N ATOM 1300 CZ ARG A 83 53.169 7.362 -22.206 1.00 0.00 C ATOM 1301 NH1 ARG A 83 52.441 6.253 -22.276 1.00 0.00 N ATOM 1302 NH2 ARG A 83 54.476 7.314 -22.442 1.00 0.00 N ATOM 0 H ARG A 83 49.186 12.011 -18.967 1.00 0.00 H new ATOM 0 HA ARG A 83 49.327 12.372 -21.907 1.00 0.00 H new ATOM 0 HB2 ARG A 83 49.093 9.851 -20.228 1.00 0.00 H new ATOM 0 HB3 ARG A 83 48.728 9.898 -21.942 1.00 0.00 H new ATOM 0 HG2 ARG A 83 51.043 10.667 -22.414 1.00 0.00 H new ATOM 0 HG3 ARG A 83 51.408 10.622 -20.701 1.00 0.00 H new ATOM 0 HD2 ARG A 83 50.921 8.176 -20.670 1.00 0.00 H new ATOM 0 HD3 ARG A 83 50.583 8.228 -22.389 1.00 0.00 H new ATOM 0 HE ARG A 83 53.195 9.346 -21.829 1.00 0.00 H new ATOM 0 HH11 ARG A 83 51.440 6.287 -22.081 1.00 0.00 H new ATOM 0 HH12 ARG A 83 52.883 5.368 -22.525 1.00 0.00 H new ATOM 0 HH21 ARG A 83 55.038 8.163 -22.375 1.00 0.00 H new ATOM 0 HH22 ARG A 83 54.917 6.429 -22.690 1.00 0.00 H new ATOM 1316 N HIS A 84 46.757 11.373 -21.973 1.00 0.00 N ATOM 1317 CA HIS A 84 45.308 11.481 -22.060 1.00 0.00 C ATOM 1318 C HIS A 84 44.691 10.170 -22.540 1.00 0.00 C ATOM 1319 O HIS A 84 44.845 9.786 -23.698 1.00 0.00 O ATOM 1320 CB HIS A 84 44.915 12.625 -23.002 1.00 0.00 C ATOM 1321 CG HIS A 84 43.457 12.975 -22.951 1.00 0.00 C ATOM 1322 ND1 HIS A 84 42.606 12.859 -24.031 1.00 0.00 N ATOM 1323 CD2 HIS A 84 42.702 13.450 -21.936 1.00 0.00 C ATOM 1324 CE1 HIS A 84 41.396 13.248 -23.678 1.00 0.00 C ATOM 1325 NE2 HIS A 84 41.426 13.609 -22.410 1.00 0.00 N ATOM 0 H HIS A 84 47.184 10.787 -22.691 1.00 0.00 H new ATOM 0 HA HIS A 84 44.924 11.695 -21.063 1.00 0.00 H new ATOM 0 HB2 HIS A 84 45.501 13.509 -22.750 1.00 0.00 H new ATOM 0 HB3 HIS A 84 45.178 12.349 -24.023 1.00 0.00 H new ATOM 0 HD2 HIS A 84 43.042 13.665 -20.934 1.00 0.00 H new ATOM 0 HE1 HIS A 84 40.527 13.268 -24.319 1.00 0.00 H new ATOM 0 HE2 HIS A 84 40.630 13.950 -21.871 1.00 0.00 H new ATOM 1334 N PRO A 85 43.993 9.459 -21.645 1.00 0.00 N ATOM 1335 CA PRO A 85 43.313 8.212 -21.992 1.00 0.00 C ATOM 1336 C PRO A 85 41.978 8.458 -22.695 1.00 0.00 C ATOM 1337 O PRO A 85 41.542 9.604 -22.845 1.00 0.00 O ATOM 1338 CB PRO A 85 43.091 7.556 -20.632 1.00 0.00 C ATOM 1339 CG PRO A 85 42.941 8.701 -19.689 1.00 0.00 C ATOM 1340 CD PRO A 85 43.819 9.804 -20.221 1.00 0.00 C ATOM 0 HA PRO A 85 43.890 7.604 -22.689 1.00 0.00 H new ATOM 0 HB2 PRO A 85 42.202 6.925 -20.635 1.00 0.00 H new ATOM 0 HB3 PRO A 85 43.932 6.921 -20.355 1.00 0.00 H new ATOM 0 HG2 PRO A 85 41.902 9.024 -19.632 1.00 0.00 H new ATOM 0 HG3 PRO A 85 43.242 8.416 -18.681 1.00 0.00 H new ATOM 0 HD2 PRO A 85 43.351 10.781 -20.100 1.00 0.00 H new ATOM 0 HD3 PRO A 85 44.775 9.842 -19.699 1.00 0.00 H new ATOM 1348 N ALA A 86 41.329 7.383 -23.114 1.00 0.00 N ATOM 1349 CA ALA A 86 40.058 7.475 -23.813 1.00 0.00 C ATOM 1350 C ALA A 86 39.108 6.383 -23.337 1.00 0.00 C ATOM 1351 O ALA A 86 38.297 5.872 -24.109 1.00 0.00 O ATOM 1352 CB ALA A 86 40.286 7.377 -25.314 1.00 0.00 C ATOM 0 H ALA A 86 41.666 6.429 -22.980 1.00 0.00 H new ATOM 0 HA ALA A 86 39.600 8.439 -23.592 1.00 0.00 H new ATOM 0 HB1 ALA A 86 39.330 7.447 -25.833 1.00 0.00 H new ATOM 0 HB2 ALA A 86 40.934 8.191 -25.637 1.00 0.00 H new ATOM 0 HB3 ALA A 86 40.758 6.423 -25.549 1.00 0.00 H new ATOM 1358 N GLU A 87 39.195 6.061 -22.045 1.00 0.00 N ATOM 1359 CA GLU A 87 38.427 4.967 -21.452 1.00 0.00 C ATOM 1360 C GLU A 87 36.926 5.086 -21.742 1.00 0.00 C ATOM 1361 O GLU A 87 36.296 4.120 -22.166 1.00 0.00 O ATOM 1362 CB GLU A 87 38.686 4.906 -19.941 1.00 0.00 C ATOM 1363 CG GLU A 87 38.444 6.224 -19.221 1.00 0.00 C ATOM 1364 CD GLU A 87 38.884 6.192 -17.773 1.00 0.00 C ATOM 1365 OE1 GLU A 87 38.094 5.754 -16.908 1.00 0.00 O ATOM 1366 OE2 GLU A 87 40.028 6.605 -17.490 1.00 0.00 O ATOM 0 H GLU A 87 39.798 6.550 -21.383 1.00 0.00 H new ATOM 0 HA GLU A 87 38.764 4.038 -21.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 38.045 4.141 -19.503 1.00 0.00 H new ATOM 0 HB3 GLU A 87 39.717 4.594 -19.771 1.00 0.00 H new ATOM 0 HG2 GLU A 87 38.978 7.020 -19.741 1.00 0.00 H new ATOM 0 HG3 GLU A 87 37.383 6.469 -19.268 1.00 0.00 H new ATOM 1373 N SER A 88 36.365 6.268 -21.537 1.00 0.00 N ATOM 1374 CA SER A 88 34.942 6.478 -21.756 1.00 0.00 C ATOM 1375 C SER A 88 34.647 6.692 -23.237 1.00 0.00 C ATOM 1376 O SER A 88 33.549 6.406 -23.715 1.00 0.00 O ATOM 1377 CB SER A 88 34.473 7.684 -20.945 1.00 0.00 C ATOM 1378 OG SER A 88 34.908 7.579 -19.600 1.00 0.00 O ATOM 0 H SER A 88 36.872 7.095 -21.220 1.00 0.00 H new ATOM 0 HA SER A 88 34.402 5.590 -21.429 1.00 0.00 H new ATOM 0 HB2 SER A 88 34.862 8.601 -21.388 1.00 0.00 H new ATOM 0 HB3 SER A 88 33.386 7.750 -20.977 1.00 0.00 H new ATOM 0 HG SER A 88 34.601 8.360 -19.095 1.00 0.00 H new ATOM 1384 N CYS A 89 35.644 7.172 -23.969 1.00 0.00 N ATOM 1385 CA CYS A 89 35.470 7.496 -25.377 1.00 0.00 C ATOM 1386 C CYS A 89 35.344 6.233 -26.214 1.00 0.00 C ATOM 1387 O CYS A 89 34.607 6.198 -27.200 1.00 0.00 O ATOM 1388 CB CYS A 89 36.640 8.346 -25.877 1.00 0.00 C ATOM 1389 SG CYS A 89 36.428 9.004 -27.548 1.00 0.00 S ATOM 0 H CYS A 89 36.583 7.345 -23.609 1.00 0.00 H new ATOM 0 HA CYS A 89 34.548 8.069 -25.481 1.00 0.00 H new ATOM 0 HB2 CYS A 89 36.789 9.178 -25.189 1.00 0.00 H new ATOM 0 HB3 CYS A 89 37.548 7.744 -25.850 1.00 0.00 H new ATOM 0 HG CYS A 89 37.471 9.709 -27.873 1.00 0.00 H new ATOM 1395 N LEU A 90 36.051 5.193 -25.809 1.00 0.00 N ATOM 1396 CA LEU A 90 36.034 3.937 -26.548 1.00 0.00 C ATOM 1397 C LEU A 90 34.685 3.239 -26.411 1.00 0.00 C ATOM 1398 O LEU A 90 34.245 2.544 -27.327 1.00 0.00 O ATOM 1399 CB LEU A 90 37.197 3.023 -26.118 1.00 0.00 C ATOM 1400 CG LEU A 90 37.246 2.613 -24.641 1.00 0.00 C ATOM 1401 CD1 LEU A 90 36.382 1.388 -24.378 1.00 0.00 C ATOM 1402 CD2 LEU A 90 38.683 2.352 -24.214 1.00 0.00 C ATOM 0 H LEU A 90 36.642 5.190 -24.978 1.00 0.00 H new ATOM 0 HA LEU A 90 36.176 4.165 -27.604 1.00 0.00 H new ATOM 0 HB2 LEU A 90 37.157 2.116 -26.721 1.00 0.00 H new ATOM 0 HB3 LEU A 90 38.133 3.526 -26.362 1.00 0.00 H new ATOM 0 HG LEU A 90 36.846 3.436 -24.049 1.00 0.00 H new ATOM 0 HD11 LEU A 90 36.438 1.123 -23.322 1.00 0.00 H new ATOM 0 HD12 LEU A 90 35.348 1.609 -24.642 1.00 0.00 H new ATOM 0 HD13 LEU A 90 36.740 0.554 -24.981 1.00 0.00 H new ATOM 0 HD21 LEU A 90 38.703 2.062 -23.164 1.00 0.00 H new ATOM 0 HD22 LEU A 90 39.103 1.549 -24.820 1.00 0.00 H new ATOM 0 HD23 LEU A 90 39.274 3.258 -24.352 1.00 0.00 H new ATOM 1414 N GLU A 91 34.019 3.443 -25.278 1.00 0.00 N ATOM 1415 CA GLU A 91 32.695 2.869 -25.068 1.00 0.00 C ATOM 1416 C GLU A 91 31.614 3.741 -25.687 1.00 0.00 C ATOM 1417 O GLU A 91 30.698 3.237 -26.335 1.00 0.00 O ATOM 1418 CB GLU A 91 32.381 2.710 -23.580 1.00 0.00 C ATOM 1419 CG GLU A 91 33.214 1.670 -22.866 1.00 0.00 C ATOM 1420 CD GLU A 91 32.632 1.313 -21.515 1.00 0.00 C ATOM 1421 OE1 GLU A 91 32.616 2.181 -20.616 1.00 0.00 O ATOM 1422 OE2 GLU A 91 32.155 0.170 -21.352 1.00 0.00 O ATOM 0 H GLU A 91 34.371 3.997 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 91 32.704 1.890 -25.547 1.00 0.00 H new ATOM 0 HB2 GLU A 91 32.525 3.672 -23.088 1.00 0.00 H new ATOM 0 HB3 GLU A 91 31.328 2.450 -23.471 1.00 0.00 H new ATOM 0 HG2 GLU A 91 33.281 0.773 -23.481 1.00 0.00 H new ATOM 0 HG3 GLU A 91 34.230 2.044 -22.737 1.00 0.00 H new ATOM 1429 N HIS A 92 31.740 5.056 -25.486 1.00 0.00 N ATOM 1430 CA HIS A 92 30.659 6.008 -25.766 1.00 0.00 C ATOM 1431 C HIS A 92 29.525 5.764 -24.766 1.00 0.00 C ATOM 1432 O HIS A 92 29.668 4.952 -23.852 1.00 0.00 O ATOM 1433 CB HIS A 92 30.134 5.890 -27.209 1.00 0.00 C ATOM 1434 CG HIS A 92 31.156 6.164 -28.271 1.00 0.00 C ATOM 1435 ND1 HIS A 92 31.457 7.430 -28.721 1.00 0.00 N ATOM 1436 CD2 HIS A 92 31.935 5.319 -28.989 1.00 0.00 C ATOM 1437 CE1 HIS A 92 32.371 7.354 -29.668 1.00 0.00 C ATOM 1438 NE2 HIS A 92 32.679 6.084 -29.850 1.00 0.00 N ATOM 0 H HIS A 92 32.590 5.490 -25.126 1.00 0.00 H new ATOM 0 HA HIS A 92 31.053 7.019 -25.660 1.00 0.00 H new ATOM 0 HB2 HIS A 92 29.737 4.885 -27.356 1.00 0.00 H new ATOM 0 HB3 HIS A 92 29.302 6.583 -27.337 1.00 0.00 H new ATOM 0 HD2 HIS A 92 31.964 4.243 -28.900 1.00 0.00 H new ATOM 0 HE1 HIS A 92 32.796 8.190 -30.204 1.00 0.00 H new ATOM 0 HE2 HIS A 92 33.360 5.729 -30.522 1.00 0.00 H new ATOM 1447 N HIS A 93 28.405 6.447 -24.920 1.00 0.00 N ATOM 1448 CA HIS A 93 27.289 6.237 -24.006 1.00 0.00 C ATOM 1449 C HIS A 93 26.206 5.411 -24.686 1.00 0.00 C ATOM 1450 O HIS A 93 25.409 4.748 -24.020 1.00 0.00 O ATOM 1451 CB HIS A 93 26.726 7.570 -23.512 1.00 0.00 C ATOM 1452 CG HIS A 93 26.050 7.458 -22.179 1.00 0.00 C ATOM 1453 ND1 HIS A 93 24.880 8.111 -21.865 1.00 0.00 N ATOM 1454 CD2 HIS A 93 26.405 6.771 -21.067 1.00 0.00 C ATOM 1455 CE1 HIS A 93 24.543 7.830 -20.616 1.00 0.00 C ATOM 1456 NE2 HIS A 93 25.454 7.018 -20.111 1.00 0.00 N ATOM 0 H HIS A 93 28.242 7.138 -25.652 1.00 0.00 H new ATOM 0 HA HIS A 93 27.653 5.689 -23.137 1.00 0.00 H new ATOM 0 HB2 HIS A 93 27.535 8.298 -23.444 1.00 0.00 H new ATOM 0 HB3 HIS A 93 26.014 7.952 -24.244 1.00 0.00 H new ATOM 0 HD2 HIS A 93 27.277 6.144 -20.954 1.00 0.00 H new ATOM 0 HE1 HIS A 93 23.671 8.202 -20.098 1.00 0.00 H new ATOM 0 HE2 HIS A 93 25.451 6.637 -19.165 1.00 0.00 H new ATOM 1465 N HIS A 94 26.212 5.457 -26.021 1.00 0.00 N ATOM 1466 CA HIS A 94 25.300 4.678 -26.865 1.00 0.00 C ATOM 1467 C HIS A 94 23.874 5.211 -26.824 1.00 0.00 C ATOM 1468 O HIS A 94 23.364 5.612 -25.778 1.00 0.00 O ATOM 1469 CB HIS A 94 25.310 3.190 -26.495 1.00 0.00 C ATOM 1470 CG HIS A 94 26.503 2.447 -27.009 1.00 0.00 C ATOM 1471 ND1 HIS A 94 26.480 1.701 -28.167 1.00 0.00 N ATOM 1472 CD2 HIS A 94 27.758 2.332 -26.516 1.00 0.00 C ATOM 1473 CE1 HIS A 94 27.667 1.160 -28.363 1.00 0.00 C ATOM 1474 NE2 HIS A 94 28.462 1.526 -27.375 1.00 0.00 N ATOM 0 H HIS A 94 26.857 6.042 -26.552 1.00 0.00 H new ATOM 0 HA HIS A 94 25.672 4.786 -27.884 1.00 0.00 H new ATOM 0 HB2 HIS A 94 25.275 3.095 -25.410 1.00 0.00 H new ATOM 0 HB3 HIS A 94 24.406 2.722 -26.886 1.00 0.00 H new ATOM 0 HD2 HIS A 94 28.136 2.790 -25.614 1.00 0.00 H new ATOM 0 HE1 HIS A 94 27.942 0.525 -29.192 1.00 0.00 H new ATOM 0 HE2 HIS A 94 29.439 1.254 -27.268 1.00 0.00 H new ATOM 1483 N HIS A 95 23.244 5.216 -27.986 1.00 0.00 N ATOM 1484 CA HIS A 95 21.857 5.627 -28.114 1.00 0.00 C ATOM 1485 C HIS A 95 21.230 4.925 -29.311 1.00 0.00 C ATOM 1486 O HIS A 95 21.909 4.668 -30.306 1.00 0.00 O ATOM 1487 CB HIS A 95 21.755 7.150 -28.279 1.00 0.00 C ATOM 1488 CG HIS A 95 20.344 7.650 -28.364 1.00 0.00 C ATOM 1489 ND1 HIS A 95 19.697 7.861 -29.559 1.00 0.00 N ATOM 1490 CD2 HIS A 95 19.450 7.960 -27.395 1.00 0.00 C ATOM 1491 CE1 HIS A 95 18.469 8.283 -29.325 1.00 0.00 C ATOM 1492 NE2 HIS A 95 18.290 8.350 -28.020 1.00 0.00 N ATOM 0 H HIS A 95 23.678 4.936 -28.865 1.00 0.00 H new ATOM 0 HA HIS A 95 21.320 5.348 -27.207 1.00 0.00 H new ATOM 0 HB2 HIS A 95 22.253 7.633 -27.438 1.00 0.00 H new ATOM 0 HB3 HIS A 95 22.292 7.446 -29.180 1.00 0.00 H new ATOM 0 HD2 HIS A 95 19.618 7.910 -26.329 1.00 0.00 H new ATOM 0 HE1 HIS A 95 17.734 8.532 -30.076 1.00 0.00 H new ATOM 0 HE2 HIS A 95 17.432 8.643 -27.552 1.00 0.00 H new ATOM 1501 N HIS A 96 19.950 4.599 -29.210 1.00 0.00 N ATOM 1502 CA HIS A 96 19.234 3.976 -30.316 1.00 0.00 C ATOM 1503 C HIS A 96 17.762 4.362 -30.282 1.00 0.00 C ATOM 1504 O HIS A 96 17.256 4.833 -29.264 1.00 0.00 O ATOM 1505 CB HIS A 96 19.359 2.443 -30.259 1.00 0.00 C ATOM 1506 CG HIS A 96 18.586 1.808 -29.137 1.00 0.00 C ATOM 1507 ND1 HIS A 96 17.264 1.420 -29.258 1.00 0.00 N ATOM 1508 CD2 HIS A 96 18.950 1.498 -27.869 1.00 0.00 C ATOM 1509 CE1 HIS A 96 16.855 0.902 -28.117 1.00 0.00 C ATOM 1510 NE2 HIS A 96 17.857 0.939 -27.256 1.00 0.00 N ATOM 0 H HIS A 96 19.385 4.755 -28.375 1.00 0.00 H new ATOM 0 HA HIS A 96 19.681 4.333 -31.244 1.00 0.00 H new ATOM 0 HB2 HIS A 96 19.015 2.025 -31.205 1.00 0.00 H new ATOM 0 HB3 HIS A 96 20.411 2.178 -30.157 1.00 0.00 H new ATOM 0 HD1 HIS A 96 16.695 1.519 -30.099 1.00 0.00 H new ATOM 0 HD2 HIS A 96 19.920 1.661 -27.424 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.867 0.513 -27.919 1.00 0.00 H new ATOM 1519 N HIS A 97 17.087 4.167 -31.395 1.00 0.00 N ATOM 1520 CA HIS A 97 15.642 4.241 -31.421 1.00 0.00 C ATOM 1521 C HIS A 97 15.108 2.909 -31.926 1.00 0.00 C ATOM 1522 O HIS A 97 15.125 1.935 -31.144 1.00 0.00 O ATOM 1523 CB HIS A 97 15.168 5.397 -32.306 1.00 0.00 C ATOM 1524 CG HIS A 97 13.689 5.617 -32.271 1.00 0.00 C ATOM 1525 ND1 HIS A 97 12.866 5.340 -33.339 1.00 0.00 N ATOM 1526 CD2 HIS A 97 12.886 6.098 -31.295 1.00 0.00 C ATOM 1527 CE1 HIS A 97 11.623 5.643 -33.026 1.00 0.00 C ATOM 1528 NE2 HIS A 97 11.606 6.104 -31.791 1.00 0.00 N ATOM 1529 OXT HIS A 97 14.724 2.825 -33.110 1.00 0.00 O ATOM 0 H HIS A 97 17.517 3.956 -32.295 1.00 0.00 H new ATOM 0 HA HIS A 97 15.262 4.434 -30.418 1.00 0.00 H new ATOM 0 HB2 HIS A 97 15.670 6.312 -31.992 1.00 0.00 H new ATOM 0 HB3 HIS A 97 15.473 5.204 -33.334 1.00 0.00 H new ATOM 0 HD2 HIS A 97 13.194 6.417 -30.310 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.764 5.533 -33.671 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.776 6.415 -31.286 1.00 0.00 H new TER 1538 HIS A 97