USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 892 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 14 HIS : no HD1:sc= -1.09 K(o=-0.25,f=0.82) USER MOD Set 1.2: A 82 TYR OH : rot 29:sc= 0.837 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.112 K(o=0.25,f=-0.58!) USER MOD Set 2.2: A 106 THR OG1 : rot -120:sc= 0.136 USER MOD Set 3.1: A 24 CYS SG : rot 149:sc= -0.814 USER MOD Set 3.2: A 83 HIS : no HD1:sc= -1.8 K(o=-2.6,f=1.8) USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0.536 USER MOD Set 4.2: A 84 SER OG : rot 108:sc= 0.673 USER MOD Single : A 1 MET CE :methyl -123:sc= -0.0149 (180deg=-2.55!) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.3 (180deg=1.25) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= 1.13 (180deg=1.08) USER MOD Single : A 3 THR OG1 : rot 64:sc= 0.808 USER MOD Single : A 4 THR OG1 : rot 121:sc= 1.19 USER MOD Single : A 10 GLN : amide:sc= -0.75 K(o=-0.75,f=-0.087) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.734! C(o=-0.73!,f=-6.1!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.0621 X(o=0.062,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.048) USER MOD Single : A 85 HIS : no HD1:sc= 0.684 K(o=0.68,f=-4!) USER MOD Single : A 88 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.13) USER MOD Single : A 93 SER OG : rot 80:sc= 0.233 USER MOD Single : A 95 THR OG1 : rot -44:sc= 0.0466 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot -50:sc= -0.883 USER MOD Single : A 111 SER OG : rot 154:sc= 1.53 USER MOD Single : A 121 THR OG1 : rot 3:sc= 0.494 USER MOD Single : A 130 SER OG : rot 85:sc= 1.21 USER MOD Single : A 133 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.276 -5.863 5.227 1.00 0.00 N ATOM 2 CA MET A 1 -8.361 -5.807 4.063 1.00 0.00 C ATOM 3 C MET A 1 -8.467 -7.077 3.228 1.00 0.00 C ATOM 4 O MET A 1 -8.044 -8.150 3.656 1.00 0.00 O ATOM 5 CB MET A 1 -6.911 -5.614 4.517 1.00 0.00 C ATOM 6 CG MET A 1 -5.923 -5.580 3.363 1.00 0.00 C ATOM 7 SD MET A 1 -4.207 -5.484 3.910 1.00 0.00 S ATOM 8 CE MET A 1 -3.355 -5.554 2.336 1.00 0.00 C ATOM 0 H1 MET A 1 -9.138 -5.018 5.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.261 -5.895 4.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.073 -6.715 5.788 1.00 0.00 H new ATOM 0 HA MET A 1 -8.658 -4.954 3.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.834 -4.684 5.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.639 -6.422 5.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.055 -6.473 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.145 -4.723 2.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.660 -6.393 2.336 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.082 -5.685 1.534 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.804 -4.627 2.179 1.00 0.00 H new ATOM 20 N LYS A 2 -9.041 -6.951 2.044 1.00 0.00 N ATOM 21 CA LYS A 2 -9.144 -8.063 1.106 1.00 0.00 C ATOM 22 C LYS A 2 -8.257 -7.783 -0.102 1.00 0.00 C ATOM 23 O LYS A 2 -8.217 -6.655 -0.595 1.00 0.00 O ATOM 24 CB LYS A 2 -10.596 -8.260 0.656 1.00 0.00 C ATOM 25 CG LYS A 2 -11.461 -9.035 1.647 1.00 0.00 C ATOM 26 CD LYS A 2 -11.645 -8.304 2.968 1.00 0.00 C ATOM 27 CE LYS A 2 -12.511 -9.102 3.927 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.508 -8.523 5.297 1.00 0.00 N ATOM 0 H LYS A 2 -9.448 -6.080 1.704 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.815 -8.977 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.047 -7.282 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.600 -8.784 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.438 -9.221 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.006 -10.008 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.671 -8.119 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.102 -7.331 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.533 -9.135 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.153 -10.131 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.348 -8.852 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.650 -8.827 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.524 -7.485 5.235 1.00 0.00 H new ATOM 42 N THR A 3 -7.537 -8.787 -0.572 1.00 0.00 N ATOM 43 CA THR A 3 -6.613 -8.591 -1.683 1.00 0.00 C ATOM 44 C THR A 3 -6.308 -9.913 -2.385 1.00 0.00 C ATOM 45 O THR A 3 -6.731 -10.979 -1.932 1.00 0.00 O ATOM 46 CB THR A 3 -5.303 -7.914 -1.209 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.487 -7.545 -2.332 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.514 -8.826 -0.282 1.00 0.00 C ATOM 0 H THR A 3 -7.571 -9.739 -0.208 1.00 0.00 H new ATOM 0 HA THR A 3 -7.098 -7.928 -2.400 1.00 0.00 H new ATOM 0 HB THR A 3 -5.581 -7.016 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.952 -6.867 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.600 -8.322 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.117 -9.065 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.258 -9.746 -0.808 1.00 0.00 H new ATOM 56 N THR A 4 -5.581 -9.835 -3.492 1.00 0.00 N ATOM 57 CA THR A 4 -5.246 -11.003 -4.285 1.00 0.00 C ATOM 58 C THR A 4 -3.766 -11.375 -4.131 1.00 0.00 C ATOM 59 O THR A 4 -2.924 -10.511 -3.871 1.00 0.00 O ATOM 60 CB THR A 4 -5.578 -10.753 -5.769 1.00 0.00 C ATOM 61 OG1 THR A 4 -5.122 -9.450 -6.162 1.00 0.00 O ATOM 62 CG2 THR A 4 -7.075 -10.863 -6.015 1.00 0.00 C ATOM 0 H THR A 4 -5.209 -8.960 -3.862 1.00 0.00 H new ATOM 0 HA THR A 4 -5.844 -11.838 -3.921 1.00 0.00 H new ATOM 0 HB THR A 4 -5.070 -11.512 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.476 -9.536 -6.894 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.285 -10.683 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.416 -11.862 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.599 -10.123 -5.409 1.00 0.00 H new ATOM 70 N PRO A 5 -3.438 -12.671 -4.293 1.00 0.00 N ATOM 71 CA PRO A 5 -2.067 -13.188 -4.138 1.00 0.00 C ATOM 72 C PRO A 5 -1.065 -12.514 -5.070 1.00 0.00 C ATOM 73 O PRO A 5 0.099 -12.331 -4.713 1.00 0.00 O ATOM 74 CB PRO A 5 -2.196 -14.679 -4.481 1.00 0.00 C ATOM 75 CG PRO A 5 -3.497 -14.808 -5.195 1.00 0.00 C ATOM 76 CD PRO A 5 -4.386 -13.741 -4.632 1.00 0.00 C ATOM 0 HA PRO A 5 -1.685 -12.998 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.369 -15.011 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.179 -15.293 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.366 -14.680 -6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.929 -15.797 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.128 -13.409 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.932 -14.090 -3.755 1.00 0.00 H new ATOM 84 N ASP A 6 -1.528 -12.139 -6.254 1.00 0.00 N ATOM 85 CA ASP A 6 -0.692 -11.468 -7.234 1.00 0.00 C ATOM 86 C ASP A 6 -0.138 -10.157 -6.684 1.00 0.00 C ATOM 87 O ASP A 6 1.025 -9.825 -6.907 1.00 0.00 O ATOM 88 CB ASP A 6 -1.486 -11.223 -8.517 1.00 0.00 C ATOM 89 CG ASP A 6 -2.933 -10.862 -8.261 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.217 -9.693 -7.938 1.00 0.00 O ATOM 91 OD2 ASP A 6 -3.801 -11.756 -8.377 1.00 0.00 O ATOM 0 H ASP A 6 -2.489 -12.291 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 6 0.156 -12.114 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.012 -10.420 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.446 -12.118 -9.138 1.00 0.00 H new ATOM 96 N ILE A 7 -0.967 -9.425 -5.952 1.00 0.00 N ATOM 97 CA ILE A 7 -0.532 -8.190 -5.309 1.00 0.00 C ATOM 98 C ILE A 7 0.458 -8.501 -4.190 1.00 0.00 C ATOM 99 O ILE A 7 1.473 -7.821 -4.043 1.00 0.00 O ATOM 100 CB ILE A 7 -1.732 -7.398 -4.736 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.745 -7.086 -5.843 1.00 0.00 C ATOM 102 CG2 ILE A 7 -1.261 -6.112 -4.069 1.00 0.00 C ATOM 103 CD1 ILE A 7 -2.174 -6.255 -6.973 1.00 0.00 C ATOM 0 H ILE A 7 -1.945 -9.664 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.047 -7.574 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.220 -8.016 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.126 -8.023 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.594 -6.558 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.121 -5.571 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.578 -6.354 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.747 -5.490 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.948 -6.074 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.819 -5.302 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.344 -6.790 -7.434 1.00 0.00 H new ATOM 115 N LEU A 8 0.164 -9.551 -3.427 1.00 0.00 N ATOM 116 CA LEU A 8 1.021 -9.982 -2.322 1.00 0.00 C ATOM 117 C LEU A 8 2.435 -10.262 -2.804 1.00 0.00 C ATOM 118 O LEU A 8 3.413 -9.826 -2.195 1.00 0.00 O ATOM 119 CB LEU A 8 0.462 -11.249 -1.678 1.00 0.00 C ATOM 120 CG LEU A 8 -0.962 -11.142 -1.151 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.430 -12.492 -0.637 1.00 0.00 C ATOM 122 CD2 LEU A 8 -1.044 -10.090 -0.056 1.00 0.00 C ATOM 0 H LEU A 8 -0.669 -10.125 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 8 1.045 -9.174 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.500 -12.055 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.115 -11.536 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.618 -10.836 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.450 -12.405 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.402 -13.220 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.774 -12.822 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.069 -10.025 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.382 -10.366 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.741 -9.123 -0.457 1.00 0.00 H new ATOM 134 N ASP A 9 2.533 -10.995 -3.903 1.00 0.00 N ATOM 135 CA ASP A 9 3.826 -11.378 -4.448 1.00 0.00 C ATOM 136 C ASP A 9 4.575 -10.153 -4.946 1.00 0.00 C ATOM 137 O ASP A 9 5.789 -10.052 -4.800 1.00 0.00 O ATOM 138 CB ASP A 9 3.655 -12.382 -5.580 1.00 0.00 C ATOM 139 CG ASP A 9 4.949 -13.100 -5.902 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.309 -14.039 -5.156 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.597 -12.750 -6.904 1.00 0.00 O ATOM 0 H ASP A 9 1.732 -11.336 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 9 4.406 -11.846 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.894 -13.112 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.295 -11.867 -6.470 1.00 0.00 H new ATOM 146 N GLN A 10 3.843 -9.213 -5.522 1.00 0.00 N ATOM 147 CA GLN A 10 4.435 -7.954 -5.951 1.00 0.00 C ATOM 148 C GLN A 10 5.027 -7.191 -4.763 1.00 0.00 C ATOM 149 O GLN A 10 6.074 -6.556 -4.886 1.00 0.00 O ATOM 150 CB GLN A 10 3.401 -7.094 -6.676 1.00 0.00 C ATOM 151 CG GLN A 10 3.004 -7.646 -8.035 1.00 0.00 C ATOM 152 CD GLN A 10 2.112 -6.697 -8.804 1.00 0.00 C ATOM 153 OE1 GLN A 10 2.591 -5.834 -9.538 1.00 0.00 O ATOM 154 NE2 GLN A 10 0.808 -6.856 -8.653 1.00 0.00 N ATOM 0 H GLN A 10 2.843 -9.296 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 10 5.245 -8.182 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.511 -7.007 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.801 -6.088 -6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.902 -7.849 -8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.489 -8.597 -7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.451 -7.584 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.159 -6.250 -9.155 1.00 0.00 H new ATOM 163 N ILE A 11 4.366 -7.276 -3.611 1.00 0.00 N ATOM 164 CA ILE A 11 4.849 -6.613 -2.402 1.00 0.00 C ATOM 165 C ILE A 11 6.170 -7.224 -1.930 1.00 0.00 C ATOM 166 O ILE A 11 7.144 -6.507 -1.689 1.00 0.00 O ATOM 167 CB ILE A 11 3.811 -6.695 -1.260 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.500 -6.020 -1.678 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.359 -6.050 0.010 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.400 -6.135 -0.640 1.00 0.00 C ATOM 0 H ILE A 11 3.497 -7.796 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 11 5.010 -5.565 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 11 3.610 -7.746 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.691 -4.966 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.155 -6.463 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.614 -6.117 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.266 -6.569 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.589 -5.002 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.503 -5.635 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.180 -7.187 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.725 -5.666 0.289 1.00 0.00 H new ATOM 182 N ARG A 12 6.209 -8.551 -1.825 1.00 0.00 N ATOM 183 CA ARG A 12 7.406 -9.240 -1.346 1.00 0.00 C ATOM 184 C ARG A 12 8.578 -9.042 -2.310 1.00 0.00 C ATOM 185 O ARG A 12 9.719 -8.861 -1.880 1.00 0.00 O ATOM 186 CB ARG A 12 7.132 -10.738 -1.125 1.00 0.00 C ATOM 187 CG ARG A 12 6.593 -11.453 -2.350 1.00 0.00 C ATOM 188 CD ARG A 12 6.416 -12.942 -2.115 1.00 0.00 C ATOM 189 NE ARG A 12 7.694 -13.621 -1.922 1.00 0.00 N ATOM 190 CZ ARG A 12 8.200 -14.518 -2.770 1.00 0.00 C ATOM 191 NH1 ARG A 12 7.567 -14.813 -3.905 1.00 0.00 N ATOM 192 NH2 ARG A 12 9.351 -15.112 -2.483 1.00 0.00 N ATOM 0 H ARG A 12 5.432 -9.167 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 12 7.678 -8.801 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.056 -11.224 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.419 -10.850 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.635 -11.015 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.273 -11.298 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.786 -13.098 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.895 -13.384 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 12 8.234 -13.395 -1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.686 -14.351 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.963 -15.500 -4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.842 -14.882 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.745 -15.799 -3.126 1.00 0.00 H new ATOM 206 N VAL A 13 8.293 -9.052 -3.609 1.00 0.00 N ATOM 207 CA VAL A 13 9.330 -8.849 -4.608 1.00 0.00 C ATOM 208 C VAL A 13 9.838 -7.413 -4.566 1.00 0.00 C ATOM 209 O VAL A 13 11.047 -7.174 -4.559 1.00 0.00 O ATOM 210 CB VAL A 13 8.834 -9.189 -6.033 1.00 0.00 C ATOM 211 CG1 VAL A 13 9.874 -8.813 -7.076 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.492 -10.667 -6.139 1.00 0.00 C ATOM 0 H VAL A 13 7.358 -9.198 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 13 10.147 -9.529 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 13 7.933 -8.606 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.500 -9.063 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.073 -7.743 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.795 -9.364 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.145 -10.889 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.379 -11.262 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.707 -10.911 -5.423 1.00 0.00 H new ATOM 222 N HIS A 14 8.917 -6.459 -4.506 1.00 0.00 N ATOM 223 CA HIS A 14 9.288 -5.048 -4.485 1.00 0.00 C ATOM 224 C HIS A 14 10.054 -4.707 -3.209 1.00 0.00 C ATOM 225 O HIS A 14 10.927 -3.843 -3.216 1.00 0.00 O ATOM 226 CB HIS A 14 8.049 -4.152 -4.615 1.00 0.00 C ATOM 227 CG HIS A 14 8.382 -2.708 -4.832 1.00 0.00 C ATOM 228 ND1 HIS A 14 7.701 -1.667 -4.230 1.00 0.00 N ATOM 229 CD2 HIS A 14 9.331 -2.135 -5.608 1.00 0.00 C ATOM 230 CE1 HIS A 14 8.222 -0.521 -4.627 1.00 0.00 C ATOM 231 NE2 HIS A 14 9.211 -0.779 -5.460 1.00 0.00 N ATOM 0 H HIS A 14 7.913 -6.634 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 14 9.938 -4.862 -5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.439 -4.506 -5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.444 -4.247 -3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.049 -2.651 -6.228 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.894 0.461 -4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.794 -0.080 -5.921 1.00 0.00 H new ATOM 240 N GLY A 15 9.715 -5.384 -2.117 1.00 0.00 N ATOM 241 CA GLY A 15 10.425 -5.182 -0.869 1.00 0.00 C ATOM 242 C GLY A 15 11.879 -5.596 -0.970 1.00 0.00 C ATOM 243 O GLY A 15 12.776 -4.857 -0.564 1.00 0.00 O ATOM 0 H GLY A 15 8.961 -6.069 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.366 -4.131 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.939 -5.754 -0.079 1.00 0.00 H new ATOM 247 N ALA A 16 12.114 -6.771 -1.541 1.00 0.00 N ATOM 248 CA ALA A 16 13.467 -7.284 -1.708 1.00 0.00 C ATOM 249 C ALA A 16 14.223 -6.497 -2.772 1.00 0.00 C ATOM 250 O ALA A 16 15.448 -6.388 -2.725 1.00 0.00 O ATOM 251 CB ALA A 16 13.425 -8.762 -2.072 1.00 0.00 C ATOM 0 H ALA A 16 11.383 -7.387 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 16 13.996 -7.167 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.442 -9.136 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.927 -9.318 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.876 -8.892 -3.005 1.00 0.00 H new ATOM 257 N ASP A 17 13.481 -5.937 -3.718 1.00 0.00 N ATOM 258 CA ASP A 17 14.070 -5.193 -4.831 1.00 0.00 C ATOM 259 C ASP A 17 14.587 -3.837 -4.377 1.00 0.00 C ATOM 260 O ASP A 17 15.652 -3.388 -4.797 1.00 0.00 O ATOM 261 CB ASP A 17 13.016 -4.992 -5.918 1.00 0.00 C ATOM 262 CG ASP A 17 13.566 -4.344 -7.174 1.00 0.00 C ATOM 263 OD1 ASP A 17 14.149 -5.060 -8.015 1.00 0.00 O ATOM 264 OD2 ASP A 17 13.404 -3.118 -7.335 1.00 0.00 O ATOM 0 H ASP A 17 12.462 -5.983 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 17 14.911 -5.768 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.581 -5.958 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.209 -4.375 -5.523 1.00 0.00 H new ATOM 269 N ALA A 18 13.829 -3.206 -3.494 1.00 0.00 N ATOM 270 CA ALA A 18 14.155 -1.864 -3.018 1.00 0.00 C ATOM 271 C ALA A 18 15.279 -1.882 -1.982 1.00 0.00 C ATOM 272 O ALA A 18 16.120 -0.981 -1.959 1.00 0.00 O ATOM 273 CB ALA A 18 12.912 -1.199 -2.439 1.00 0.00 C ATOM 0 H ALA A 18 12.980 -3.601 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 18 14.509 -1.287 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.165 -0.199 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.144 -1.129 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.536 -1.793 -1.606 1.00 0.00 H new ATOM 279 N TYR A 19 15.298 -2.916 -1.146 1.00 0.00 N ATOM 280 CA TYR A 19 16.253 -2.992 -0.042 1.00 0.00 C ATOM 281 C TYR A 19 17.694 -3.115 -0.540 1.00 0.00 C ATOM 282 O TYR A 19 17.928 -3.475 -1.697 1.00 0.00 O ATOM 283 CB TYR A 19 15.888 -4.148 0.895 1.00 0.00 C ATOM 284 CG TYR A 19 15.065 -3.689 2.074 1.00 0.00 C ATOM 285 CD1 TYR A 19 13.795 -3.163 1.892 1.00 0.00 C ATOM 286 CD2 TYR A 19 15.571 -3.753 3.367 1.00 0.00 C ATOM 287 CE1 TYR A 19 13.047 -2.718 2.962 1.00 0.00 C ATOM 288 CE2 TYR A 19 14.831 -3.306 4.443 1.00 0.00 C ATOM 289 CZ TYR A 19 13.570 -2.791 4.236 1.00 0.00 C ATOM 290 OH TYR A 19 12.829 -2.341 5.303 1.00 0.00 O ATOM 0 H TYR A 19 14.664 -3.713 -1.211 1.00 0.00 H new ATOM 0 HA TYR A 19 16.193 -2.059 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.333 -4.903 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 16.800 -4.624 1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.384 -3.101 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.558 -4.159 3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.058 -2.315 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.238 -3.360 5.442 1.00 0.00 H new ATOM 0 HH TYR A 19 13.339 -2.464 6.131 1.00 0.00 H new ATOM 300 N PRO A 20 18.694 -2.828 0.326 1.00 0.00 N ATOM 301 CA PRO A 20 18.487 -2.510 1.757 1.00 0.00 C ATOM 302 C PRO A 20 17.795 -1.165 2.020 1.00 0.00 C ATOM 303 O PRO A 20 17.416 -0.872 3.153 1.00 0.00 O ATOM 304 CB PRO A 20 19.906 -2.494 2.329 1.00 0.00 C ATOM 305 CG PRO A 20 20.787 -2.196 1.166 1.00 0.00 C ATOM 306 CD PRO A 20 20.126 -2.822 -0.030 1.00 0.00 C ATOM 0 HA PRO A 20 17.818 -3.239 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.010 -1.737 3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.160 -3.453 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.901 -1.121 1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.785 -2.606 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.311 -2.246 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.498 -3.830 -0.211 1.00 0.00 H new ATOM 314 N GLU A 21 17.626 -0.361 0.980 1.00 0.00 N ATOM 315 CA GLU A 21 16.919 0.909 1.110 1.00 0.00 C ATOM 316 C GLU A 21 15.416 0.669 1.206 1.00 0.00 C ATOM 317 O GLU A 21 14.920 -0.370 0.777 1.00 0.00 O ATOM 318 CB GLU A 21 17.235 1.816 -0.078 1.00 0.00 C ATOM 319 CG GLU A 21 18.701 2.190 -0.166 1.00 0.00 C ATOM 320 CD GLU A 21 19.027 3.007 -1.396 1.00 0.00 C ATOM 321 OE1 GLU A 21 18.891 4.247 -1.348 1.00 0.00 O ATOM 322 OE2 GLU A 21 19.432 2.411 -2.417 1.00 0.00 O ATOM 0 H GLU A 21 17.966 -0.563 0.040 1.00 0.00 H new ATOM 0 HA GLU A 21 17.253 1.402 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.938 1.315 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.638 2.725 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.981 2.754 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.303 1.281 -0.169 1.00 0.00 H new ATOM 329 N GLU A 22 14.690 1.622 1.770 1.00 0.00 N ATOM 330 CA GLU A 22 13.257 1.459 1.944 1.00 0.00 C ATOM 331 C GLU A 22 12.494 2.037 0.758 1.00 0.00 C ATOM 332 O GLU A 22 12.785 3.138 0.291 1.00 0.00 O ATOM 333 CB GLU A 22 12.780 2.103 3.254 1.00 0.00 C ATOM 334 CG GLU A 22 13.016 3.603 3.336 1.00 0.00 C ATOM 335 CD GLU A 22 12.371 4.223 4.558 1.00 0.00 C ATOM 336 OE1 GLU A 22 11.151 4.488 4.520 1.00 0.00 O ATOM 337 OE2 GLU A 22 13.078 4.446 5.565 1.00 0.00 O ATOM 0 H GLU A 22 15.065 2.507 2.111 1.00 0.00 H new ATOM 0 HA GLU A 22 13.051 0.390 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.714 1.908 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.289 1.621 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.088 3.799 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.621 4.080 2.439 1.00 0.00 H new ATOM 344 N GLY A 23 11.532 1.273 0.260 1.00 0.00 N ATOM 345 CA GLY A 23 10.691 1.750 -0.816 1.00 0.00 C ATOM 346 C GLY A 23 9.460 2.446 -0.282 1.00 0.00 C ATOM 347 O GLY A 23 9.269 3.640 -0.509 1.00 0.00 O ATOM 0 H GLY A 23 11.320 0.329 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.256 2.438 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.393 0.912 -1.447 1.00 0.00 H new ATOM 351 N CYS A 24 8.627 1.681 0.427 1.00 0.00 N ATOM 352 CA CYS A 24 7.438 2.211 1.095 1.00 0.00 C ATOM 353 C CYS A 24 6.433 2.795 0.100 1.00 0.00 C ATOM 354 O CYS A 24 6.672 2.818 -1.110 1.00 0.00 O ATOM 355 CB CYS A 24 7.849 3.262 2.132 1.00 0.00 C ATOM 356 SG CYS A 24 9.013 2.641 3.374 1.00 0.00 S ATOM 0 H CYS A 24 8.758 0.677 0.554 1.00 0.00 H new ATOM 0 HA CYS A 24 6.940 1.383 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.299 4.111 1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.956 3.631 2.636 1.00 0.00 H new ATOM 0 HG CYS A 24 9.789 3.608 3.763 1.00 0.00 H new ATOM 362 N GLY A 25 5.292 3.231 0.611 1.00 0.00 N ATOM 363 CA GLY A 25 4.296 3.853 -0.233 1.00 0.00 C ATOM 364 C GLY A 25 2.887 3.531 0.211 1.00 0.00 C ATOM 365 O GLY A 25 2.678 3.038 1.321 1.00 0.00 O ATOM 0 H GLY A 25 5.038 3.165 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.439 4.934 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.436 3.521 -1.262 1.00 0.00 H new ATOM 369 N PHE A 26 1.925 3.788 -0.661 1.00 0.00 N ATOM 370 CA PHE A 26 0.521 3.569 -0.344 1.00 0.00 C ATOM 371 C PHE A 26 -0.036 2.376 -1.110 1.00 0.00 C ATOM 372 O PHE A 26 0.526 1.951 -2.121 1.00 0.00 O ATOM 373 CB PHE A 26 -0.311 4.815 -0.672 1.00 0.00 C ATOM 374 CG PHE A 26 -0.017 6.002 0.206 1.00 0.00 C ATOM 375 CD1 PHE A 26 -0.692 6.174 1.403 1.00 0.00 C ATOM 376 CD2 PHE A 26 0.923 6.946 -0.170 1.00 0.00 C ATOM 377 CE1 PHE A 26 -0.435 7.266 2.210 1.00 0.00 C ATOM 378 CE2 PHE A 26 1.184 8.041 0.634 1.00 0.00 C ATOM 379 CZ PHE A 26 0.504 8.201 1.825 1.00 0.00 C ATOM 0 H PHE A 26 2.092 4.151 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 26 0.457 3.364 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.134 5.093 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.368 4.565 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.428 5.446 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.458 6.826 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.969 7.388 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.920 8.771 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.706 9.056 2.454 1.00 0.00 H new ATOM 389 N LEU A 27 -1.145 1.846 -0.616 1.00 0.00 N ATOM 390 CA LEU A 27 -1.845 0.757 -1.275 1.00 0.00 C ATOM 391 C LEU A 27 -3.088 1.295 -1.969 1.00 0.00 C ATOM 392 O LEU A 27 -3.905 1.982 -1.352 1.00 0.00 O ATOM 393 CB LEU A 27 -2.239 -0.318 -0.259 1.00 0.00 C ATOM 394 CG LEU A 27 -1.077 -0.985 0.477 1.00 0.00 C ATOM 395 CD1 LEU A 27 -1.602 -1.937 1.536 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.176 -1.724 -0.500 1.00 0.00 C ATOM 0 H LEU A 27 -1.583 2.159 0.251 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.182 0.308 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.904 0.131 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.810 -1.090 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.488 -0.209 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.764 -2.405 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.208 -1.384 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.212 -2.707 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.645 -2.192 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.752 -2.491 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.226 -1.020 -1.228 1.00 0.00 H new ATOM 408 N LEU A 28 -3.225 0.991 -3.244 1.00 0.00 N ATOM 409 CA LEU A 28 -4.330 1.507 -4.032 1.00 0.00 C ATOM 410 C LEU A 28 -5.330 0.401 -4.337 1.00 0.00 C ATOM 411 O LEU A 28 -4.955 -0.760 -4.516 1.00 0.00 O ATOM 412 CB LEU A 28 -3.809 2.123 -5.333 1.00 0.00 C ATOM 413 CG LEU A 28 -2.751 3.216 -5.159 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.293 3.741 -6.511 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.294 4.355 -4.307 1.00 0.00 C ATOM 0 H LEU A 28 -2.584 0.388 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.836 2.281 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.389 1.328 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.653 2.541 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.892 2.779 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.541 4.517 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.864 2.925 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.145 4.158 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.528 5.122 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.171 4.786 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.573 3.974 -3.325 1.00 0.00 H new ATOM 427 N GLY A 29 -6.599 0.759 -4.378 1.00 0.00 N ATOM 428 CA GLY A 29 -7.630 -0.207 -4.680 1.00 0.00 C ATOM 429 C GLY A 29 -9.008 0.404 -4.600 1.00 0.00 C ATOM 430 O GLY A 29 -9.163 1.608 -4.794 1.00 0.00 O ATOM 0 H GLY A 29 -6.936 1.706 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.469 -0.611 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.561 -1.042 -3.983 1.00 0.00 H new ATOM 434 N THR A 30 -10.001 -0.417 -4.316 1.00 0.00 N ATOM 435 CA THR A 30 -11.368 0.057 -4.174 1.00 0.00 C ATOM 436 C THR A 30 -11.912 -0.273 -2.790 1.00 0.00 C ATOM 437 O THR A 30 -11.481 -1.240 -2.158 1.00 0.00 O ATOM 438 CB THR A 30 -12.294 -0.553 -5.247 1.00 0.00 C ATOM 439 OG1 THR A 30 -12.054 -1.963 -5.374 1.00 0.00 O ATOM 440 CG2 THR A 30 -12.095 0.124 -6.592 1.00 0.00 C ATOM 0 H THR A 30 -9.887 -1.421 -4.178 1.00 0.00 H new ATOM 0 HA THR A 30 -11.348 1.139 -4.307 1.00 0.00 H new ATOM 0 HB THR A 30 -13.324 -0.392 -4.928 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.650 -2.336 -6.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.761 -0.327 -7.328 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.320 1.187 -6.501 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.061 -0.001 -6.913 1.00 0.00 H new ATOM 448 N VAL A 31 -12.848 0.534 -2.319 1.00 0.00 N ATOM 449 CA VAL A 31 -13.474 0.297 -1.030 1.00 0.00 C ATOM 450 C VAL A 31 -14.745 -0.528 -1.210 1.00 0.00 C ATOM 451 O VAL A 31 -15.545 -0.264 -2.110 1.00 0.00 O ATOM 452 CB VAL A 31 -13.808 1.623 -0.310 1.00 0.00 C ATOM 453 CG1 VAL A 31 -14.474 1.366 1.033 1.00 0.00 C ATOM 454 CG2 VAL A 31 -12.547 2.457 -0.132 1.00 0.00 C ATOM 0 H VAL A 31 -13.191 1.359 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.765 -0.254 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.512 2.179 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.697 2.317 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.399 0.811 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.803 0.786 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.796 3.389 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.824 1.900 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.117 2.680 -1.109 1.00 0.00 H new ATOM 464 N THR A 32 -14.918 -1.541 -0.378 1.00 0.00 N ATOM 465 CA THR A 32 -16.108 -2.373 -0.428 1.00 0.00 C ATOM 466 C THR A 32 -16.897 -2.222 0.866 1.00 0.00 C ATOM 467 O THR A 32 -16.304 -2.087 1.942 1.00 0.00 O ATOM 468 CB THR A 32 -15.757 -3.857 -0.679 1.00 0.00 C ATOM 469 OG1 THR A 32 -16.949 -4.653 -0.710 1.00 0.00 O ATOM 470 CG2 THR A 32 -14.806 -4.396 0.383 1.00 0.00 C ATOM 0 H THR A 32 -14.247 -1.808 0.342 1.00 0.00 H new ATOM 0 HA THR A 32 -16.721 -2.038 -1.265 1.00 0.00 H new ATOM 0 HB THR A 32 -15.256 -3.916 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.712 -5.590 -0.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.582 -5.442 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.882 -3.818 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.273 -4.315 1.365 1.00 0.00 H new ATOM 478 N ASP A 33 -18.230 -2.172 0.745 1.00 0.00 N ATOM 479 CA ASP A 33 -19.133 -2.032 1.898 1.00 0.00 C ATOM 480 C ASP A 33 -19.078 -0.623 2.471 1.00 0.00 C ATOM 481 O ASP A 33 -19.937 -0.226 3.259 1.00 0.00 O ATOM 482 CB ASP A 33 -18.781 -3.051 2.985 1.00 0.00 C ATOM 483 CG ASP A 33 -19.618 -2.896 4.240 1.00 0.00 C ATOM 484 OD1 ASP A 33 -20.814 -3.255 4.217 1.00 0.00 O ATOM 485 OD2 ASP A 33 -19.087 -2.401 5.257 1.00 0.00 O ATOM 0 H ASP A 33 -18.713 -2.227 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.148 -2.222 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.915 -4.057 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.727 -2.948 3.243 1.00 0.00 H new ATOM 490 N ASP A 34 -18.077 0.124 2.022 1.00 0.00 N ATOM 491 CA ASP A 34 -17.740 1.450 2.557 1.00 0.00 C ATOM 492 C ASP A 34 -17.040 1.277 3.903 1.00 0.00 C ATOM 493 O ASP A 34 -16.823 2.229 4.650 1.00 0.00 O ATOM 494 CB ASP A 34 -18.990 2.340 2.682 1.00 0.00 C ATOM 495 CG ASP A 34 -18.679 3.792 2.998 1.00 0.00 C ATOM 496 OD1 ASP A 34 -18.337 4.545 2.065 1.00 0.00 O ATOM 497 OD2 ASP A 34 -18.810 4.196 4.176 1.00 0.00 O ATOM 0 H ASP A 34 -17.463 -0.174 1.264 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.066 1.956 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.553 2.293 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.634 1.938 3.464 1.00 0.00 H new ATOM 502 N GLY A 35 -16.647 0.038 4.180 1.00 0.00 N ATOM 503 CA GLY A 35 -15.998 -0.278 5.435 1.00 0.00 C ATOM 504 C GLY A 35 -14.663 -0.971 5.247 1.00 0.00 C ATOM 505 O GLY A 35 -13.682 -0.620 5.903 1.00 0.00 O ATOM 0 H GLY A 35 -16.768 -0.756 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.849 0.640 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.654 -0.916 6.027 1.00 0.00 H new ATOM 509 N ASP A 36 -14.615 -1.950 4.348 1.00 0.00 N ATOM 510 CA ASP A 36 -13.393 -2.716 4.121 1.00 0.00 C ATOM 511 C ASP A 36 -12.712 -2.227 2.845 1.00 0.00 C ATOM 512 O ASP A 36 -13.282 -1.435 2.092 1.00 0.00 O ATOM 513 CB ASP A 36 -13.701 -4.218 4.019 1.00 0.00 C ATOM 514 CG ASP A 36 -12.546 -5.103 4.470 1.00 0.00 C ATOM 515 OD1 ASP A 36 -11.442 -5.006 3.897 1.00 0.00 O ATOM 516 OD2 ASP A 36 -12.745 -5.925 5.388 1.00 0.00 O ATOM 0 H ASP A 36 -15.405 -2.231 3.767 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.723 -2.566 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.580 -4.443 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.954 -4.461 2.987 1.00 0.00 H new ATOM 521 N ASN A 37 -11.513 -2.714 2.590 1.00 0.00 N ATOM 522 CA ASN A 37 -10.720 -2.235 1.472 1.00 0.00 C ATOM 523 C ASN A 37 -10.213 -3.385 0.613 1.00 0.00 C ATOM 524 O ASN A 37 -9.861 -4.454 1.120 1.00 0.00 O ATOM 525 CB ASN A 37 -9.546 -1.389 1.968 1.00 0.00 C ATOM 526 CG ASN A 37 -8.618 -2.134 2.911 1.00 0.00 C ATOM 527 OD1 ASN A 37 -7.669 -2.791 2.484 1.00 0.00 O ATOM 528 ND2 ASN A 37 -8.876 -2.021 4.203 1.00 0.00 N ATOM 0 H ASN A 37 -11.064 -3.444 3.144 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.367 -1.614 0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.973 -1.038 1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.934 -0.506 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.278 -2.488 4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.673 -1.467 4.517 1.00 0.00 H new ATOM 535 N ARG A 38 -10.197 -3.157 -0.692 1.00 0.00 N ATOM 536 CA ARG A 38 -9.725 -4.143 -1.651 1.00 0.00 C ATOM 537 C ARG A 38 -8.481 -3.614 -2.360 1.00 0.00 C ATOM 538 O ARG A 38 -8.573 -2.726 -3.207 1.00 0.00 O ATOM 539 CB ARG A 38 -10.838 -4.434 -2.663 1.00 0.00 C ATOM 540 CG ARG A 38 -10.581 -5.620 -3.576 1.00 0.00 C ATOM 541 CD ARG A 38 -11.730 -5.792 -4.555 1.00 0.00 C ATOM 542 NE ARG A 38 -11.685 -7.072 -5.259 1.00 0.00 N ATOM 543 CZ ARG A 38 -12.769 -7.703 -5.708 1.00 0.00 C ATOM 544 NH1 ARG A 38 -13.971 -7.156 -5.555 1.00 0.00 N ATOM 545 NH2 ARG A 38 -12.647 -8.873 -6.319 1.00 0.00 N ATOM 0 H ARG A 38 -10.511 -2.284 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.464 -5.067 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.767 -4.608 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.990 -3.547 -3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.649 -5.472 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.462 -6.526 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.675 -5.711 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.706 -4.981 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.775 -7.505 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.065 -6.251 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.800 -7.641 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.724 -9.289 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.476 -9.357 -6.663 1.00 0.00 H new ATOM 559 N VAL A 39 -7.323 -4.149 -2.005 1.00 0.00 N ATOM 560 CA VAL A 39 -6.060 -3.669 -2.560 1.00 0.00 C ATOM 561 C VAL A 39 -5.771 -4.339 -3.900 1.00 0.00 C ATOM 562 O VAL A 39 -5.707 -5.568 -3.983 1.00 0.00 O ATOM 563 CB VAL A 39 -4.882 -3.930 -1.594 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.584 -3.369 -2.158 1.00 0.00 C ATOM 565 CG2 VAL A 39 -5.168 -3.335 -0.222 1.00 0.00 C ATOM 0 H VAL A 39 -7.228 -4.914 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.160 -2.593 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.769 -5.009 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.770 -3.565 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.366 -3.846 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.686 -2.294 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.326 -3.530 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.314 -2.259 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.069 -3.789 0.191 1.00 0.00 H new ATOM 575 N ALA A 40 -5.599 -3.532 -4.945 1.00 0.00 N ATOM 576 CA ALA A 40 -5.389 -4.065 -6.285 1.00 0.00 C ATOM 577 C ALA A 40 -4.247 -3.360 -7.021 1.00 0.00 C ATOM 578 O ALA A 40 -3.982 -3.660 -8.185 1.00 0.00 O ATOM 579 CB ALA A 40 -6.678 -3.965 -7.089 1.00 0.00 C ATOM 0 H ALA A 40 -5.601 -2.514 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.102 -5.111 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.515 -4.365 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.462 -4.538 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.982 -2.921 -7.161 1.00 0.00 H new ATOM 585 N ALA A 41 -3.572 -2.429 -6.356 1.00 0.00 N ATOM 586 CA ALA A 41 -2.458 -1.719 -6.977 1.00 0.00 C ATOM 587 C ALA A 41 -1.473 -1.213 -5.932 1.00 0.00 C ATOM 588 O ALA A 41 -1.853 -0.918 -4.799 1.00 0.00 O ATOM 589 CB ALA A 41 -2.967 -0.568 -7.831 1.00 0.00 C ATOM 0 H ALA A 41 -3.773 -2.150 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.931 -2.424 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.122 -0.051 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.619 -0.956 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.526 0.129 -7.206 1.00 0.00 H new ATOM 595 N LEU A 42 -0.205 -1.121 -6.316 1.00 0.00 N ATOM 596 CA LEU A 42 0.844 -0.674 -5.406 1.00 0.00 C ATOM 597 C LEU A 42 1.353 0.716 -5.782 1.00 0.00 C ATOM 598 O LEU A 42 1.220 1.157 -6.927 1.00 0.00 O ATOM 599 CB LEU A 42 2.016 -1.660 -5.418 1.00 0.00 C ATOM 600 CG LEU A 42 1.678 -3.093 -5.007 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.918 -3.972 -5.081 1.00 0.00 C ATOM 602 CD2 LEU A 42 1.088 -3.122 -3.606 1.00 0.00 C ATOM 0 H LEU A 42 0.123 -1.351 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 42 0.412 -0.628 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.441 -1.680 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.791 -1.283 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 42 0.934 -3.484 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.661 -4.989 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.301 -3.976 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.682 -3.581 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.854 -4.150 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.809 -2.713 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.177 -2.524 -3.582 1.00 0.00 H new ATOM 614 N HIS A 43 1.929 1.404 -4.805 1.00 0.00 N ATOM 615 CA HIS A 43 2.563 2.697 -5.027 1.00 0.00 C ATOM 616 C HIS A 43 3.833 2.796 -4.190 1.00 0.00 C ATOM 617 O HIS A 43 3.845 2.416 -3.022 1.00 0.00 O ATOM 618 CB HIS A 43 1.597 3.842 -4.676 1.00 0.00 C ATOM 619 CG HIS A 43 2.238 5.201 -4.634 1.00 0.00 C ATOM 620 ND1 HIS A 43 2.533 5.941 -5.760 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.647 5.949 -3.583 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.098 7.079 -5.398 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.176 7.107 -4.085 1.00 0.00 N ATOM 0 H HIS A 43 1.970 1.082 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 43 2.824 2.786 -6.082 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.789 3.857 -5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.145 3.636 -3.706 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.570 5.681 -2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.438 7.855 -6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.567 7.869 -3.531 1.00 0.00 H new ATOM 632 N ARG A 44 4.898 3.291 -4.794 1.00 0.00 N ATOM 633 CA ARG A 44 6.157 3.473 -4.092 1.00 0.00 C ATOM 634 C ARG A 44 6.398 4.949 -3.837 1.00 0.00 C ATOM 635 O ARG A 44 6.061 5.780 -4.681 1.00 0.00 O ATOM 636 CB ARG A 44 7.327 2.861 -4.868 1.00 0.00 C ATOM 637 CG ARG A 44 7.742 3.625 -6.117 1.00 0.00 C ATOM 638 CD ARG A 44 8.919 2.947 -6.791 1.00 0.00 C ATOM 639 NE ARG A 44 9.485 3.741 -7.880 1.00 0.00 N ATOM 640 CZ ARG A 44 9.901 3.219 -9.032 1.00 0.00 C ATOM 641 NH1 ARG A 44 9.673 1.941 -9.302 1.00 0.00 N ATOM 642 NH2 ARG A 44 10.524 3.980 -9.921 1.00 0.00 N ATOM 0 H ARG A 44 4.917 3.575 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 44 6.092 2.952 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.187 2.789 -4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.060 1.844 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.903 3.683 -6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.008 4.648 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.694 2.753 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.601 1.980 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 44 9.566 4.750 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.179 1.357 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.992 1.541 -10.185 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.685 4.967 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.842 3.578 -10.803 1.00 0.00 H new ATOM 656 N ALA A 45 6.922 5.266 -2.655 1.00 0.00 N ATOM 657 CA ALA A 45 7.190 6.646 -2.259 1.00 0.00 C ATOM 658 C ALA A 45 7.972 7.402 -3.332 1.00 0.00 C ATOM 659 O ALA A 45 9.187 7.255 -3.461 1.00 0.00 O ATOM 660 CB ALA A 45 7.940 6.681 -0.933 1.00 0.00 C ATOM 0 H ALA A 45 7.172 4.576 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 45 6.229 7.146 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.133 7.716 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.338 6.201 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.887 6.151 -1.036 1.00 0.00 H new ATOM 962 N ASP A 63 4.014 12.785 -1.982 1.00 0.00 N ATOM 963 CA ASP A 63 3.759 11.390 -2.335 1.00 0.00 C ATOM 964 C ASP A 63 2.268 11.074 -2.301 1.00 0.00 C ATOM 965 O ASP A 63 1.777 10.280 -3.105 1.00 0.00 O ATOM 966 CB ASP A 63 4.511 10.444 -1.398 1.00 0.00 C ATOM 967 CG ASP A 63 4.369 8.992 -1.820 1.00 0.00 C ATOM 968 OD1 ASP A 63 4.895 8.632 -2.892 1.00 0.00 O ATOM 969 OD2 ASP A 63 3.726 8.216 -1.096 1.00 0.00 O ATOM 0 HA ASP A 63 4.121 11.241 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.567 10.715 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.134 10.565 -0.382 1.00 0.00 H new ATOM 974 N TYR A 64 1.545 11.711 -1.381 1.00 0.00 N ATOM 975 CA TYR A 64 0.103 11.512 -1.274 1.00 0.00 C ATOM 976 C TYR A 64 -0.577 11.915 -2.573 1.00 0.00 C ATOM 977 O TYR A 64 -1.422 11.188 -3.096 1.00 0.00 O ATOM 978 CB TYR A 64 -0.478 12.314 -0.103 1.00 0.00 C ATOM 979 CG TYR A 64 -1.988 12.233 0.000 1.00 0.00 C ATOM 980 CD1 TYR A 64 -2.605 11.161 0.634 1.00 0.00 C ATOM 981 CD2 TYR A 64 -2.798 13.225 -0.546 1.00 0.00 C ATOM 982 CE1 TYR A 64 -3.985 11.081 0.722 1.00 0.00 C ATOM 983 CE2 TYR A 64 -4.175 13.153 -0.462 1.00 0.00 C ATOM 984 CZ TYR A 64 -4.765 12.078 0.170 1.00 0.00 C ATOM 985 OH TYR A 64 -6.138 12.002 0.253 1.00 0.00 O ATOM 0 H TYR A 64 1.933 12.366 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.082 10.454 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.039 11.952 0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.185 13.359 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.999 10.378 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.341 14.067 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.449 10.243 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.786 13.934 -0.889 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.536 12.783 -0.184 1.00 0.00 H new ATOM 995 N ARG A 65 -0.189 13.071 -3.099 1.00 0.00 N ATOM 996 CA ARG A 65 -0.723 13.554 -4.361 1.00 0.00 C ATOM 997 C ARG A 65 -0.401 12.589 -5.491 1.00 0.00 C ATOM 998 O ARG A 65 -1.231 12.344 -6.361 1.00 0.00 O ATOM 999 CB ARG A 65 -0.159 14.932 -4.690 1.00 0.00 C ATOM 1000 CG ARG A 65 -0.811 16.065 -3.921 1.00 0.00 C ATOM 1001 CD ARG A 65 -0.303 17.408 -4.402 1.00 0.00 C ATOM 1002 NE ARG A 65 -1.133 18.511 -3.932 1.00 0.00 N ATOM 1003 CZ ARG A 65 -1.660 19.433 -4.738 1.00 0.00 C ATOM 1004 NH1 ARG A 65 -1.480 19.352 -6.052 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -2.379 20.427 -4.240 1.00 0.00 N ATOM 0 H ARG A 65 0.496 13.691 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.806 13.626 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.911 14.934 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.277 15.116 -5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.893 16.017 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.604 15.954 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.720 17.553 -4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.275 17.415 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.321 18.581 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.938 18.583 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.884 20.059 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.533 20.491 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.779 21.129 -4.863 1.00 0.00 H new ATOM 1019 N ALA A 66 0.803 12.034 -5.466 1.00 0.00 N ATOM 1020 CA ALA A 66 1.224 11.099 -6.497 1.00 0.00 C ATOM 1021 C ALA A 66 0.447 9.795 -6.402 1.00 0.00 C ATOM 1022 O ALA A 66 0.098 9.194 -7.420 1.00 0.00 O ATOM 1023 CB ALA A 66 2.715 10.840 -6.392 1.00 0.00 C ATOM 0 H ALA A 66 1.502 12.215 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 66 1.013 11.544 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.018 10.138 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.257 11.777 -6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.943 10.418 -5.413 1.00 0.00 H new ATOM 1029 N ALA A 67 0.176 9.369 -5.176 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.607 8.168 -4.941 1.00 0.00 C ATOM 1031 C ALA A 67 -2.042 8.376 -5.397 1.00 0.00 C ATOM 1032 O ALA A 67 -2.629 7.506 -6.036 1.00 0.00 O ATOM 1033 CB ALA A 67 -0.565 7.787 -3.469 1.00 0.00 C ATOM 0 H ALA A 67 0.489 9.840 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.175 7.352 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.156 6.885 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.467 7.602 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.975 8.601 -2.871 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.584 9.543 -5.081 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.962 9.878 -5.426 1.00 0.00 C ATOM 1041 C ASP A 68 -4.110 10.058 -6.929 1.00 0.00 C ATOM 1042 O ASP A 68 -5.097 9.621 -7.523 1.00 0.00 O ATOM 1043 CB ASP A 68 -4.399 11.156 -4.706 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.877 11.458 -4.892 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.718 10.704 -4.352 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.210 12.450 -5.573 1.00 0.00 O ATOM 0 H ASP A 68 -2.087 10.281 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.601 9.055 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.183 11.061 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.811 11.996 -5.076 1.00 0.00 H new ATOM 1051 N ALA A 69 -3.113 10.694 -7.541 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.117 10.921 -8.982 1.00 0.00 C ATOM 1053 C ALA A 69 -3.156 9.603 -9.740 1.00 0.00 C ATOM 1054 O ALA A 69 -4.033 9.386 -10.570 1.00 0.00 O ATOM 1055 CB ALA A 69 -1.902 11.734 -9.406 1.00 0.00 C ATOM 0 H ALA A 69 -2.292 11.061 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.016 11.487 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.927 11.890 -10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.915 12.699 -8.899 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.993 11.196 -9.138 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.221 8.713 -9.434 1.00 0.00 N ATOM 1062 CA ALA A 70 -2.164 7.413 -10.092 1.00 0.00 C ATOM 1063 C ALA A 70 -3.398 6.587 -9.745 1.00 0.00 C ATOM 1064 O ALA A 70 -3.877 5.792 -10.555 1.00 0.00 O ATOM 1065 CB ALA A 70 -0.895 6.666 -9.702 1.00 0.00 C ATOM 0 H ALA A 70 -1.493 8.866 -8.736 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.146 7.575 -11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.873 5.699 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.024 7.249 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.879 6.515 -8.623 1.00 0.00 H new ATOM 1071 N ALA A 71 -3.912 6.779 -8.537 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.112 6.083 -8.109 1.00 0.00 C ATOM 1073 C ALA A 71 -6.299 6.470 -8.976 1.00 0.00 C ATOM 1074 O ALA A 71 -6.959 5.604 -9.538 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.411 6.373 -6.648 1.00 0.00 C ATOM 0 H ALA A 71 -3.516 7.410 -7.840 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.937 5.013 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.314 5.841 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.574 6.042 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.559 7.444 -6.513 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.546 7.769 -9.122 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.682 8.232 -9.909 1.00 0.00 C ATOM 1083 C GLN A 72 -7.493 7.896 -11.389 1.00 0.00 C ATOM 1084 O GLN A 72 -8.465 7.623 -12.091 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.935 9.730 -9.708 1.00 0.00 C ATOM 1086 CG GLN A 72 -6.730 10.615 -9.971 1.00 0.00 C ATOM 1087 CD GLN A 72 -7.016 12.079 -9.701 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -7.426 12.816 -10.596 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -6.809 12.516 -8.469 1.00 0.00 N ATOM 0 H GLN A 72 -5.981 8.512 -8.710 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.567 7.704 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.747 10.039 -10.366 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.273 9.894 -8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.900 10.289 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.414 10.495 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.468 11.876 -7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.990 13.493 -8.237 1.00 0.00 H new ATOM 1098 N GLU A 73 -6.244 7.898 -11.848 1.00 0.00 N ATOM 1099 CA GLU A 73 -5.923 7.469 -13.203 1.00 0.00 C ATOM 1100 C GLU A 73 -6.343 6.022 -13.430 1.00 0.00 C ATOM 1101 O GLU A 73 -6.866 5.667 -14.486 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.424 7.625 -13.451 1.00 0.00 C ATOM 1103 CG GLU A 73 -3.976 9.069 -13.555 1.00 0.00 C ATOM 1104 CD GLU A 73 -2.508 9.202 -13.901 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -1.697 8.402 -13.395 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -2.149 10.111 -14.683 1.00 0.00 O ATOM 0 H GLU A 73 -5.437 8.193 -11.298 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.473 8.096 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.877 7.141 -12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.160 7.104 -14.371 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.571 9.576 -14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.169 9.574 -12.609 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.125 5.198 -12.421 1.00 0.00 N ATOM 1114 CA GLN A 74 -6.470 3.785 -12.486 1.00 0.00 C ATOM 1115 C GLN A 74 -7.913 3.530 -12.051 1.00 0.00 C ATOM 1116 O GLN A 74 -8.373 2.386 -12.045 1.00 0.00 O ATOM 1117 CB GLN A 74 -5.511 2.996 -11.601 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.089 2.953 -12.138 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.096 2.386 -11.142 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -2.125 1.736 -11.521 1.00 0.00 O ATOM 1121 NE2 GLN A 74 -3.311 2.653 -9.863 1.00 0.00 N ATOM 0 H GLN A 74 -5.706 5.485 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.381 3.459 -13.522 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.502 3.437 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.882 1.977 -11.495 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.068 2.351 -13.047 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.781 3.961 -12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.129 3.196 -9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.659 2.316 -9.155 1.00 0.00 H new ATOM 1130 N GLY A 75 -8.621 4.592 -11.684 1.00 0.00 N ATOM 1131 CA GLY A 75 -9.996 4.448 -11.236 1.00 0.00 C ATOM 1132 C GLY A 75 -10.088 3.831 -9.853 1.00 0.00 C ATOM 1133 O GLY A 75 -11.056 3.145 -9.528 1.00 0.00 O ATOM 0 H GLY A 75 -8.269 5.549 -11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.478 5.426 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.544 3.828 -11.945 1.00 0.00 H new ATOM 1137 N LEU A 76 -9.070 4.075 -9.044 1.00 0.00 N ATOM 1138 CA LEU A 76 -8.994 3.533 -7.700 1.00 0.00 C ATOM 1139 C LEU A 76 -8.767 4.660 -6.697 1.00 0.00 C ATOM 1140 O LEU A 76 -8.725 5.834 -7.073 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.837 2.533 -7.611 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.865 1.389 -8.631 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.607 0.543 -8.511 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -9.101 0.524 -8.441 1.00 0.00 C ATOM 0 H LEU A 76 -8.272 4.656 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.931 3.027 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.901 3.078 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.830 2.102 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.902 1.824 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.641 -0.265 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.731 1.165 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.546 0.123 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.098 -0.281 -9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.097 0.099 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.995 1.133 -8.573 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.620 4.308 -5.428 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.257 5.275 -4.400 1.00 0.00 C ATOM 1158 C ASP A 77 -7.307 4.645 -3.394 1.00 0.00 C ATOM 1159 O ASP A 77 -6.986 3.457 -3.492 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.494 5.842 -3.694 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.373 4.788 -3.046 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -11.155 4.140 -3.773 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -10.329 4.648 -1.807 1.00 0.00 O ATOM 0 H ASP A 77 -8.747 3.356 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.751 6.107 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.171 6.550 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.088 6.401 -4.417 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.832 5.445 -2.451 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.887 4.971 -1.454 1.00 0.00 C ATOM 1170 C VAL A 78 -6.625 4.242 -0.336 1.00 0.00 C ATOM 1171 O VAL A 78 -7.367 4.852 0.431 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.065 6.132 -0.854 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -3.985 5.598 0.078 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.449 6.990 -1.954 1.00 0.00 C ATOM 0 H VAL A 78 -7.087 6.428 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.200 4.286 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.741 6.761 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.416 6.431 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.449 5.038 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.316 4.942 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.875 7.801 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.790 6.376 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.241 7.407 -2.576 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.422 2.937 -0.250 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.125 2.123 0.732 1.00 0.00 C ATOM 1186 C VAL A 79 -6.207 1.703 1.877 1.00 0.00 C ATOM 1187 O VAL A 79 -6.671 1.226 2.912 1.00 0.00 O ATOM 1188 CB VAL A 79 -7.747 0.869 0.086 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.830 1.265 -0.907 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.680 0.017 -0.588 1.00 0.00 C ATOM 0 H VAL A 79 -5.778 2.418 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.924 2.745 1.135 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.204 0.270 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.259 0.368 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.611 1.822 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.396 1.889 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.145 -0.861 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.185 0.601 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.945 -0.299 0.153 1.00 0.00 H new ATOM 1200 N GLY A 80 -4.906 1.886 1.698 1.00 0.00 N ATOM 1201 CA GLY A 80 -3.967 1.479 2.720 1.00 0.00 C ATOM 1202 C GLY A 80 -2.594 2.073 2.520 1.00 0.00 C ATOM 1203 O GLY A 80 -2.373 2.839 1.582 1.00 0.00 O ATOM 0 H GLY A 80 -4.487 2.306 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.348 1.776 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.891 0.392 2.725 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.679 1.719 3.408 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.296 2.173 3.343 1.00 0.00 C ATOM 1209 C VAL A 81 0.610 1.006 3.711 1.00 0.00 C ATOM 1210 O VAL A 81 0.172 0.071 4.383 1.00 0.00 O ATOM 1211 CB VAL A 81 -0.016 3.333 4.332 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.246 4.082 3.945 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.197 4.288 4.436 1.00 0.00 C ATOM 0 H VAL A 81 -1.874 1.105 4.199 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.106 2.533 2.332 1.00 0.00 H new ATOM 0 HB VAL A 81 0.133 2.889 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.421 4.891 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.094 3.397 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.131 4.496 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.959 5.086 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.405 4.718 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.074 3.745 4.787 1.00 0.00 H new ATOM 1223 N TYR A 82 1.859 1.043 3.282 1.00 0.00 N ATOM 1224 CA TYR A 82 2.807 0.021 3.689 1.00 0.00 C ATOM 1225 C TYR A 82 4.167 0.633 3.990 1.00 0.00 C ATOM 1226 O TYR A 82 4.658 1.501 3.263 1.00 0.00 O ATOM 1227 CB TYR A 82 2.915 -1.110 2.648 1.00 0.00 C ATOM 1228 CG TYR A 82 3.589 -0.749 1.341 1.00 0.00 C ATOM 1229 CD1 TYR A 82 2.878 -0.151 0.310 1.00 0.00 C ATOM 1230 CD2 TYR A 82 4.931 -1.038 1.132 1.00 0.00 C ATOM 1231 CE1 TYR A 82 3.488 0.153 -0.891 1.00 0.00 C ATOM 1232 CE2 TYR A 82 5.549 -0.734 -0.066 1.00 0.00 C ATOM 1233 CZ TYR A 82 4.822 -0.140 -1.075 1.00 0.00 C ATOM 1234 OH TYR A 82 5.431 0.169 -2.270 1.00 0.00 O ATOM 0 H TYR A 82 2.237 1.758 2.661 1.00 0.00 H new ATOM 0 HA TYR A 82 2.430 -0.430 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.460 -1.940 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.910 -1.471 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.832 0.080 0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.502 -1.508 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.921 0.619 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.595 -0.960 -0.211 1.00 0.00 H new ATOM 0 HH TYR A 82 4.989 0.947 -2.671 1.00 0.00 H new ATOM 1244 N HIS A 83 4.755 0.184 5.085 1.00 0.00 N ATOM 1245 CA HIS A 83 6.047 0.676 5.540 1.00 0.00 C ATOM 1246 C HIS A 83 6.820 -0.472 6.171 1.00 0.00 C ATOM 1247 O HIS A 83 6.284 -1.207 7.000 1.00 0.00 O ATOM 1248 CB HIS A 83 5.849 1.820 6.548 1.00 0.00 C ATOM 1249 CG HIS A 83 7.122 2.463 7.026 1.00 0.00 C ATOM 1250 ND1 HIS A 83 7.582 2.348 8.321 1.00 0.00 N ATOM 1251 CD2 HIS A 83 8.022 3.245 6.381 1.00 0.00 C ATOM 1252 CE1 HIS A 83 8.708 3.027 8.450 1.00 0.00 C ATOM 1253 NE2 HIS A 83 8.995 3.578 7.289 1.00 0.00 N ATOM 0 H HIS A 83 4.350 -0.534 5.686 1.00 0.00 H new ATOM 0 HA HIS A 83 6.614 1.065 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.221 2.585 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.306 1.436 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.981 3.549 5.346 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.293 3.115 9.353 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.810 4.159 7.096 1.00 0.00 H new ATOM 1262 N SER A 84 8.070 -0.630 5.783 1.00 0.00 N ATOM 1263 CA SER A 84 8.857 -1.757 6.240 1.00 0.00 C ATOM 1264 C SER A 84 9.878 -1.330 7.285 1.00 0.00 C ATOM 1265 O SER A 84 10.285 -0.168 7.340 1.00 0.00 O ATOM 1266 CB SER A 84 9.559 -2.409 5.049 1.00 0.00 C ATOM 1267 OG SER A 84 10.269 -1.450 4.286 1.00 0.00 O ATOM 0 H SER A 84 8.561 0.006 5.154 1.00 0.00 H new ATOM 0 HA SER A 84 8.187 -2.479 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.247 -3.177 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.823 -2.908 4.418 1.00 0.00 H new ATOM 0 HG SER A 84 11.232 -1.572 4.422 1.00 0.00 H new ATOM 1273 N HIS A 85 10.264 -2.273 8.128 1.00 0.00 N ATOM 1274 CA HIS A 85 11.307 -2.034 9.110 1.00 0.00 C ATOM 1275 C HIS A 85 12.503 -2.917 8.788 1.00 0.00 C ATOM 1276 O HIS A 85 12.329 -4.058 8.347 1.00 0.00 O ATOM 1277 CB HIS A 85 10.816 -2.346 10.531 1.00 0.00 C ATOM 1278 CG HIS A 85 9.723 -1.451 11.035 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.430 -1.887 11.231 1.00 0.00 N ATOM 1280 CD2 HIS A 85 9.744 -0.156 11.437 1.00 0.00 C ATOM 1281 CE1 HIS A 85 7.705 -0.901 11.726 1.00 0.00 C ATOM 1282 NE2 HIS A 85 8.478 0.157 11.861 1.00 0.00 N ATOM 0 H HIS A 85 9.869 -3.213 8.152 1.00 0.00 H new ATOM 0 HA HIS A 85 11.586 -0.981 9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.463 -3.377 10.559 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.663 -2.281 11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.598 0.505 11.425 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.656 -0.953 11.978 1.00 0.00 H new ATOM 0 HE2 HIS A 85 8.182 1.064 12.223 1.00 0.00 H new ATOM 1291 N PRO A 86 13.726 -2.413 8.996 1.00 0.00 N ATOM 1292 CA PRO A 86 14.945 -3.189 8.778 1.00 0.00 C ATOM 1293 C PRO A 86 15.141 -4.242 9.863 1.00 0.00 C ATOM 1294 O PRO A 86 15.824 -3.997 10.857 1.00 0.00 O ATOM 1295 CB PRO A 86 16.072 -2.145 8.823 1.00 0.00 C ATOM 1296 CG PRO A 86 15.389 -0.815 8.830 1.00 0.00 C ATOM 1297 CD PRO A 86 14.034 -1.048 9.433 1.00 0.00 C ATOM 0 HA PRO A 86 14.916 -3.738 7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.689 -2.273 9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.731 -2.242 7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.956 -0.089 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.303 -0.415 7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.053 -0.964 10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.299 -0.330 9.070 1.00 0.00 H new ATOM 1305 N ASP A 87 14.494 -5.392 9.671 1.00 0.00 N ATOM 1306 CA ASP A 87 14.550 -6.514 10.609 1.00 0.00 C ATOM 1307 C ASP A 87 14.028 -6.122 11.991 1.00 0.00 C ATOM 1308 O ASP A 87 14.774 -5.652 12.849 1.00 0.00 O ATOM 1309 CB ASP A 87 15.971 -7.080 10.710 1.00 0.00 C ATOM 1310 CG ASP A 87 16.055 -8.292 11.616 1.00 0.00 C ATOM 1311 OD1 ASP A 87 15.010 -8.913 11.903 1.00 0.00 O ATOM 1312 OD2 ASP A 87 17.174 -8.642 12.032 1.00 0.00 O ATOM 0 H ASP A 87 13.911 -5.573 8.853 1.00 0.00 H new ATOM 0 HA ASP A 87 13.897 -7.294 10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.321 -7.351 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.641 -6.305 11.083 1.00 0.00 H new ATOM 1317 N HIS A 88 12.730 -6.311 12.182 1.00 0.00 N ATOM 1318 CA HIS A 88 12.062 -6.032 13.452 1.00 0.00 C ATOM 1319 C HIS A 88 10.788 -6.881 13.541 1.00 0.00 C ATOM 1320 O HIS A 88 10.376 -7.451 12.537 1.00 0.00 O ATOM 1321 CB HIS A 88 11.759 -4.528 13.594 1.00 0.00 C ATOM 1322 CG HIS A 88 12.875 -3.755 14.246 1.00 0.00 C ATOM 1323 ND1 HIS A 88 13.267 -2.497 13.844 1.00 0.00 N ATOM 1324 CD2 HIS A 88 13.690 -4.082 15.282 1.00 0.00 C ATOM 1325 CE1 HIS A 88 14.267 -2.086 14.602 1.00 0.00 C ATOM 1326 NE2 HIS A 88 14.546 -3.027 15.482 1.00 0.00 N ATOM 0 H HIS A 88 12.104 -6.664 11.458 1.00 0.00 H new ATOM 0 HA HIS A 88 12.719 -6.299 14.280 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.564 -4.109 12.607 1.00 0.00 H new ATOM 0 HB3 HIS A 88 10.848 -4.401 14.179 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.669 -5.003 15.845 1.00 0.00 H new ATOM 0 HE1 HIS A 88 14.773 -1.136 14.515 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.276 -2.979 16.193 1.00 0.00 H new ATOM 1335 N PRO A 89 10.155 -6.999 14.730 1.00 0.00 N ATOM 1336 CA PRO A 89 9.014 -7.923 14.958 1.00 0.00 C ATOM 1337 C PRO A 89 7.768 -7.653 14.096 1.00 0.00 C ATOM 1338 O PRO A 89 6.731 -8.282 14.300 1.00 0.00 O ATOM 1339 CB PRO A 89 8.680 -7.722 16.440 1.00 0.00 C ATOM 1340 CG PRO A 89 9.274 -6.409 16.803 1.00 0.00 C ATOM 1341 CD PRO A 89 10.505 -6.269 15.962 1.00 0.00 C ATOM 0 HA PRO A 89 9.298 -8.938 14.681 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.602 -7.725 16.604 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.097 -8.524 17.049 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.574 -5.596 16.609 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.520 -6.371 17.864 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.737 -5.224 15.759 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.378 -6.700 16.451 1.00 0.00 H new ATOM 1349 N ALA A 90 7.872 -6.704 13.167 1.00 0.00 N ATOM 1350 CA ALA A 90 6.825 -6.415 12.172 1.00 0.00 C ATOM 1351 C ALA A 90 5.586 -5.767 12.779 1.00 0.00 C ATOM 1352 O ALA A 90 4.677 -5.346 12.066 1.00 0.00 O ATOM 1353 CB ALA A 90 6.450 -7.670 11.389 1.00 0.00 C ATOM 0 H ALA A 90 8.692 -6.104 13.078 1.00 0.00 H new ATOM 0 HA ALA A 90 7.252 -5.686 11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.675 -7.427 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.329 -8.051 10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.077 -8.430 12.076 1.00 0.00 H new ATOM 1359 N ARG A 91 5.567 -5.663 14.087 1.00 0.00 N ATOM 1360 CA ARG A 91 4.496 -4.970 14.780 1.00 0.00 C ATOM 1361 C ARG A 91 4.905 -3.522 15.023 1.00 0.00 C ATOM 1362 O ARG A 91 6.086 -3.239 15.232 1.00 0.00 O ATOM 1363 CB ARG A 91 4.143 -5.672 16.100 1.00 0.00 C ATOM 1364 CG ARG A 91 5.352 -6.139 16.888 1.00 0.00 C ATOM 1365 CD ARG A 91 5.219 -5.834 18.370 1.00 0.00 C ATOM 1366 NE ARG A 91 5.111 -4.397 18.618 1.00 0.00 N ATOM 1367 CZ ARG A 91 5.658 -3.777 19.659 1.00 0.00 C ATOM 1368 NH1 ARG A 91 6.394 -4.454 20.533 1.00 0.00 N ATOM 1369 NH2 ARG A 91 5.487 -2.468 19.810 1.00 0.00 N ATOM 0 H ARG A 91 6.284 -6.051 14.700 1.00 0.00 H new ATOM 0 HA ARG A 91 3.602 -4.988 14.157 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.559 -4.990 16.718 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.507 -6.531 15.885 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.482 -7.212 16.749 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.248 -5.656 16.498 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.339 -6.339 18.768 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.083 -6.231 18.902 1.00 0.00 H new ATOM 0 HE ARG A 91 4.583 -3.835 17.950 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.542 -5.455 20.408 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.811 -3.973 21.330 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.938 -1.943 19.129 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.905 -1.988 20.607 1.00 0.00 H new ATOM 1383 N PRO A 92 3.943 -2.590 14.974 1.00 0.00 N ATOM 1384 CA PRO A 92 4.217 -1.157 15.125 1.00 0.00 C ATOM 1385 C PRO A 92 4.830 -0.814 16.478 1.00 0.00 C ATOM 1386 O PRO A 92 4.392 -1.312 17.521 1.00 0.00 O ATOM 1387 CB PRO A 92 2.837 -0.500 14.992 1.00 0.00 C ATOM 1388 CG PRO A 92 1.975 -1.521 14.333 1.00 0.00 C ATOM 1389 CD PRO A 92 2.512 -2.855 14.760 1.00 0.00 C ATOM 0 HA PRO A 92 4.941 -0.814 14.386 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.439 -0.220 15.968 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.891 0.412 14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.934 -1.405 14.634 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.007 -1.417 13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.028 -3.211 15.670 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.354 -3.616 13.996 1.00 0.00 H new ATOM 1397 N SER A 93 5.854 0.025 16.454 1.00 0.00 N ATOM 1398 CA SER A 93 6.446 0.541 17.675 1.00 0.00 C ATOM 1399 C SER A 93 5.672 1.778 18.114 1.00 0.00 C ATOM 1400 O SER A 93 4.722 2.188 17.437 1.00 0.00 O ATOM 1401 CB SER A 93 7.915 0.894 17.435 1.00 0.00 C ATOM 1402 OG SER A 93 8.549 -0.084 16.627 1.00 0.00 O ATOM 0 H SER A 93 6.293 0.363 15.598 1.00 0.00 H new ATOM 0 HA SER A 93 6.397 -0.216 18.457 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.984 1.869 16.953 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.434 0.973 18.390 1.00 0.00 H new ATOM 0 HG SER A 93 8.318 0.068 15.687 1.00 0.00 H new ATOM 1408 N ALA A 94 6.071 2.379 19.228 1.00 0.00 N ATOM 1409 CA ALA A 94 5.405 3.578 19.721 1.00 0.00 C ATOM 1410 C ALA A 94 5.450 4.691 18.679 1.00 0.00 C ATOM 1411 O ALA A 94 4.426 5.289 18.356 1.00 0.00 O ATOM 1412 CB ALA A 94 6.038 4.040 21.025 1.00 0.00 C ATOM 0 H ALA A 94 6.849 2.058 19.805 1.00 0.00 H new ATOM 0 HA ALA A 94 4.360 3.334 19.911 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.529 4.936 21.379 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.948 3.252 21.773 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.092 4.263 20.859 1.00 0.00 H new ATOM 1418 N THR A 95 6.632 4.926 18.119 1.00 0.00 N ATOM 1419 CA THR A 95 6.821 5.988 17.138 1.00 0.00 C ATOM 1420 C THR A 95 6.046 5.714 15.847 1.00 0.00 C ATOM 1421 O THR A 95 5.556 6.645 15.205 1.00 0.00 O ATOM 1422 CB THR A 95 8.317 6.185 16.837 1.00 0.00 C ATOM 1423 OG1 THR A 95 9.001 6.477 18.063 1.00 0.00 O ATOM 1424 CG2 THR A 95 8.545 7.319 15.846 1.00 0.00 C ATOM 0 H THR A 95 7.476 4.393 18.329 1.00 0.00 H new ATOM 0 HA THR A 95 6.425 6.907 17.570 1.00 0.00 H new ATOM 0 HB THR A 95 8.703 5.269 16.390 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.482 7.128 18.580 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.613 7.429 15.658 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.033 7.093 14.911 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.152 8.248 16.259 1.00 0.00 H new ATOM 1432 N ASP A 96 5.911 4.440 15.480 1.00 0.00 N ATOM 1433 CA ASP A 96 5.127 4.073 14.301 1.00 0.00 C ATOM 1434 C ASP A 96 3.689 4.540 14.465 1.00 0.00 C ATOM 1435 O ASP A 96 3.079 5.057 13.533 1.00 0.00 O ATOM 1436 CB ASP A 96 5.150 2.559 14.057 1.00 0.00 C ATOM 1437 CG ASP A 96 6.507 2.041 13.618 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.924 2.330 12.476 1.00 0.00 O ATOM 1439 OD2 ASP A 96 7.157 1.325 14.406 1.00 0.00 O ATOM 0 H ASP A 96 6.329 3.653 15.976 1.00 0.00 H new ATOM 0 HA ASP A 96 5.578 4.563 13.438 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.852 2.046 14.972 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.410 2.310 13.296 1.00 0.00 H new ATOM 1444 N LEU A 97 3.160 4.366 15.669 1.00 0.00 N ATOM 1445 CA LEU A 97 1.808 4.805 15.985 1.00 0.00 C ATOM 1446 C LEU A 97 1.747 6.331 16.007 1.00 0.00 C ATOM 1447 O LEU A 97 0.779 6.933 15.533 1.00 0.00 O ATOM 1448 CB LEU A 97 1.374 4.209 17.337 1.00 0.00 C ATOM 1449 CG LEU A 97 -0.113 4.349 17.703 1.00 0.00 C ATOM 1450 CD1 LEU A 97 -0.498 3.314 18.750 1.00 0.00 C ATOM 1451 CD2 LEU A 97 -0.429 5.745 18.227 1.00 0.00 C ATOM 0 H LEU A 97 3.650 3.922 16.446 1.00 0.00 H new ATOM 0 HA LEU A 97 1.119 4.452 15.218 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.628 3.149 17.340 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.965 4.680 18.123 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.693 4.183 16.795 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.553 3.424 19.000 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.321 2.314 18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.104 3.462 19.646 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.488 5.809 18.476 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.166 5.942 19.119 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.191 6.483 17.461 1.00 0.00 H new ATOM 1463 N GLU A 98 2.797 6.950 16.539 1.00 0.00 N ATOM 1464 CA GLU A 98 2.847 8.402 16.681 1.00 0.00 C ATOM 1465 C GLU A 98 2.731 9.111 15.334 1.00 0.00 C ATOM 1466 O GLU A 98 2.043 10.124 15.225 1.00 0.00 O ATOM 1467 CB GLU A 98 4.140 8.827 17.374 1.00 0.00 C ATOM 1468 CG GLU A 98 4.308 8.224 18.756 1.00 0.00 C ATOM 1469 CD GLU A 98 5.572 8.679 19.451 1.00 0.00 C ATOM 1470 OE1 GLU A 98 6.675 8.488 18.892 1.00 0.00 O ATOM 1471 OE2 GLU A 98 5.468 9.221 20.570 1.00 0.00 O ATOM 0 H GLU A 98 3.628 6.467 16.880 1.00 0.00 H new ATOM 0 HA GLU A 98 1.993 8.694 17.291 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.988 8.538 16.754 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.160 9.914 17.455 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.447 8.490 19.369 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.317 7.137 18.673 1.00 0.00 H new ATOM 1478 N GLU A 99 3.378 8.577 14.306 1.00 0.00 N ATOM 1479 CA GLU A 99 3.328 9.206 12.993 1.00 0.00 C ATOM 1480 C GLU A 99 2.182 8.648 12.152 1.00 0.00 C ATOM 1481 O GLU A 99 1.850 9.195 11.099 1.00 0.00 O ATOM 1482 CB GLU A 99 4.665 9.067 12.261 1.00 0.00 C ATOM 1483 CG GLU A 99 5.179 7.644 12.147 1.00 0.00 C ATOM 1484 CD GLU A 99 6.466 7.569 11.347 1.00 0.00 C ATOM 1485 OE1 GLU A 99 7.323 8.466 11.511 1.00 0.00 O ATOM 1486 OE2 GLU A 99 6.613 6.639 10.526 1.00 0.00 O ATOM 0 H GLU A 99 3.935 7.724 14.353 1.00 0.00 H new ATOM 0 HA GLU A 99 3.140 10.269 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.560 9.483 11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.412 9.669 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.348 7.238 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.420 7.021 11.673 1.00 0.00 H new ATOM 1493 N ALA A 100 1.567 7.571 12.623 1.00 0.00 N ATOM 1494 CA ALA A 100 0.400 7.015 11.953 1.00 0.00 C ATOM 1495 C ALA A 100 -0.852 7.784 12.357 1.00 0.00 C ATOM 1496 O ALA A 100 -1.486 7.481 13.369 1.00 0.00 O ATOM 1497 CB ALA A 100 0.247 5.536 12.266 1.00 0.00 C ATOM 0 H ALA A 100 1.855 7.068 13.462 1.00 0.00 H new ATOM 0 HA ALA A 100 0.540 7.115 10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.632 5.145 11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.133 4.999 11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.130 5.402 13.341 1.00 0.00 H new ATOM 1503 N THR A 101 -1.178 8.808 11.584 1.00 0.00 N ATOM 1504 CA THR A 101 -2.314 9.667 11.884 1.00 0.00 C ATOM 1505 C THR A 101 -3.326 9.629 10.737 1.00 0.00 C ATOM 1506 O THR A 101 -4.086 10.571 10.522 1.00 0.00 O ATOM 1507 CB THR A 101 -1.838 11.115 12.111 1.00 0.00 C ATOM 1508 OG1 THR A 101 -0.609 11.107 12.853 1.00 0.00 O ATOM 1509 CG2 THR A 101 -2.873 11.930 12.876 1.00 0.00 C ATOM 0 H THR A 101 -0.669 9.066 10.739 1.00 0.00 H new ATOM 0 HA THR A 101 -2.795 9.302 12.792 1.00 0.00 H new ATOM 0 HB THR A 101 -1.690 11.575 11.134 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.307 12.028 12.995 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.504 12.946 13.018 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.804 11.958 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.052 11.470 13.848 1.00 0.00 H new ATOM 1517 N PHE A 102 -3.335 8.523 10.009 1.00 0.00 N ATOM 1518 CA PHE A 102 -4.229 8.362 8.868 1.00 0.00 C ATOM 1519 C PHE A 102 -5.267 7.275 9.145 1.00 0.00 C ATOM 1520 O PHE A 102 -5.052 6.103 8.827 1.00 0.00 O ATOM 1521 CB PHE A 102 -3.435 8.027 7.601 1.00 0.00 C ATOM 1522 CG PHE A 102 -2.408 9.064 7.240 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -2.764 10.189 6.511 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -1.087 8.913 7.630 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -1.821 11.143 6.181 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -0.140 9.863 7.303 1.00 0.00 C ATOM 1527 CZ PHE A 102 -0.507 10.980 6.577 1.00 0.00 C ATOM 0 H PHE A 102 -2.732 7.720 10.187 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.750 9.306 8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.937 7.067 7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.129 7.910 6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.789 10.321 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.795 8.041 8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.110 12.015 5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.886 9.733 7.614 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.232 11.724 6.319 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.396 7.643 9.775 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.448 6.687 10.131 1.00 0.00 C ATOM 1539 C PRO A 103 -8.218 6.194 8.909 1.00 0.00 C ATOM 1540 O PRO A 103 -8.463 6.948 7.965 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.362 7.496 11.051 1.00 0.00 C ATOM 1542 CG PRO A 103 -8.180 8.907 10.608 1.00 0.00 C ATOM 1543 CD PRO A 103 -6.747 9.021 10.171 1.00 0.00 C ATOM 0 HA PRO A 103 -7.045 5.787 10.594 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.401 7.181 10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.085 7.369 12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.858 9.150 9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -8.397 9.602 11.419 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.635 9.718 9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.109 9.381 10.978 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.589 4.919 8.930 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.340 4.345 7.833 1.00 0.00 C ATOM 1553 C GLY A 104 -8.452 3.577 6.879 1.00 0.00 C ATOM 1554 O GLY A 104 -8.924 2.732 6.118 1.00 0.00 O ATOM 0 H GLY A 104 -8.381 4.272 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.108 3.680 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.854 5.139 7.291 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.162 3.868 6.925 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.198 3.196 6.070 1.00 0.00 C ATOM 1560 C PHE A 105 -5.621 1.977 6.774 1.00 0.00 C ATOM 1561 O PHE A 105 -5.412 1.988 7.990 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.067 4.152 5.680 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.527 5.353 4.903 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -5.625 5.303 3.523 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.859 6.532 5.551 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -6.045 6.406 2.805 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -6.278 7.638 4.838 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.372 7.574 3.462 1.00 0.00 C ATOM 0 H PHE A 105 -6.758 4.567 7.548 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.714 2.872 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.561 4.489 6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.332 3.607 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.370 4.392 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.789 6.587 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.117 6.354 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.532 8.551 5.356 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.701 8.436 2.901 1.00 0.00 H new ATOM 1578 N THR A 106 -5.370 0.924 6.015 1.00 0.00 N ATOM 1579 CA THR A 106 -4.757 -0.275 6.562 1.00 0.00 C ATOM 1580 C THR A 106 -3.242 -0.209 6.396 1.00 0.00 C ATOM 1581 O THR A 106 -2.741 0.023 5.296 1.00 0.00 O ATOM 1582 CB THR A 106 -5.305 -1.540 5.876 1.00 0.00 C ATOM 1583 OG1 THR A 106 -6.734 -1.542 5.954 1.00 0.00 O ATOM 1584 CG2 THR A 106 -4.756 -2.804 6.529 1.00 0.00 C ATOM 0 H THR A 106 -5.581 0.875 5.018 1.00 0.00 H new ATOM 0 HA THR A 106 -5.003 -0.328 7.623 1.00 0.00 H new ATOM 0 HB THR A 106 -4.988 -1.530 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.034 -2.339 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.161 -3.680 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.669 -2.811 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.045 -2.826 7.580 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.524 -0.390 7.492 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.073 -0.322 7.475 1.00 0.00 C ATOM 1594 C TYR A 107 -0.472 -1.717 7.361 1.00 0.00 C ATOM 1595 O TYR A 107 -0.635 -2.544 8.257 1.00 0.00 O ATOM 1596 CB TYR A 107 -0.544 0.354 8.743 1.00 0.00 C ATOM 1597 CG TYR A 107 -0.886 1.822 8.864 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -0.066 2.792 8.298 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -2.013 2.240 9.560 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -0.361 4.137 8.420 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -2.317 3.583 9.682 1.00 0.00 C ATOM 1602 CZ TYR A 107 -1.488 4.527 9.114 1.00 0.00 C ATOM 1603 OH TYR A 107 -1.783 5.866 9.242 1.00 0.00 O ATOM 0 H TYR A 107 -2.925 -0.586 8.409 1.00 0.00 H new ATOM 0 HA TYR A 107 -0.779 0.269 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -0.942 -0.171 9.612 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.540 0.243 8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.816 2.489 7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.662 1.505 10.013 1.00 0.00 H new ATOM 0 HE1 TYR A 107 0.287 4.878 7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.201 3.892 10.220 1.00 0.00 H new ATOM 0 HH TYR A 107 -0.990 6.347 9.559 1.00 0.00 H new ATOM 1613 N VAL A 108 0.199 -1.982 6.258 1.00 0.00 N ATOM 1614 CA VAL A 108 0.906 -3.238 6.091 1.00 0.00 C ATOM 1615 C VAL A 108 2.377 -3.054 6.423 1.00 0.00 C ATOM 1616 O VAL A 108 3.090 -2.291 5.767 1.00 0.00 O ATOM 1617 CB VAL A 108 0.764 -3.795 4.661 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.525 -5.106 4.512 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.702 -3.991 4.312 1.00 0.00 C ATOM 0 H VAL A 108 0.270 -1.346 5.464 1.00 0.00 H new ATOM 0 HA VAL A 108 0.458 -3.958 6.775 1.00 0.00 H new ATOM 0 HB VAL A 108 1.194 -3.071 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.410 -5.480 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.582 -4.939 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.128 -5.839 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.785 -4.385 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.152 -4.694 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.222 -3.035 4.373 1.00 0.00 H new ATOM 1629 N ILE A 109 2.819 -3.744 7.453 1.00 0.00 N ATOM 1630 CA ILE A 109 4.194 -3.665 7.880 1.00 0.00 C ATOM 1631 C ILE A 109 4.899 -4.979 7.589 1.00 0.00 C ATOM 1632 O ILE A 109 4.434 -6.050 7.986 1.00 0.00 O ATOM 1633 CB ILE A 109 4.310 -3.333 9.383 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.595 -2.017 9.686 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.774 -3.253 9.790 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.635 -1.625 11.144 1.00 0.00 C ATOM 0 H ILE A 109 2.239 -4.370 8.012 1.00 0.00 H new ATOM 0 HA ILE A 109 4.669 -2.857 7.323 1.00 0.00 H new ATOM 0 HB ILE A 109 3.834 -4.126 9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.048 -1.223 9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.555 -2.098 9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.844 -3.018 10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.258 -4.210 9.597 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.270 -2.473 9.213 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.107 -0.681 11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 109 3.155 -2.399 11.742 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.671 -1.511 11.462 1.00 0.00 H new ATOM 1648 N VAL A 110 5.998 -4.895 6.867 1.00 0.00 N ATOM 1649 CA VAL A 110 6.788 -6.068 6.541 1.00 0.00 C ATOM 1650 C VAL A 110 8.179 -5.953 7.146 1.00 0.00 C ATOM 1651 O VAL A 110 8.778 -4.874 7.176 1.00 0.00 O ATOM 1652 CB VAL A 110 6.882 -6.285 5.009 1.00 0.00 C ATOM 1653 CG1 VAL A 110 7.398 -5.036 4.311 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.759 -7.490 4.673 1.00 0.00 C ATOM 0 H VAL A 110 6.367 -4.021 6.492 1.00 0.00 H new ATOM 0 HA VAL A 110 6.285 -6.936 6.968 1.00 0.00 H new ATOM 0 HB VAL A 110 5.875 -6.489 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.454 -5.216 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.720 -4.205 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.390 -4.791 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.805 -7.616 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.764 -7.329 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.334 -8.386 5.125 1.00 0.00 H new ATOM 1664 N SER A 111 8.673 -7.060 7.657 1.00 0.00 N ATOM 1665 CA SER A 111 10.012 -7.107 8.202 1.00 0.00 C ATOM 1666 C SER A 111 10.971 -7.625 7.141 1.00 0.00 C ATOM 1667 O SER A 111 10.958 -8.813 6.805 1.00 0.00 O ATOM 1668 CB SER A 111 10.042 -8.010 9.432 1.00 0.00 C ATOM 1669 OG SER A 111 11.267 -7.890 10.131 1.00 0.00 O ATOM 0 H SER A 111 8.165 -7.943 7.706 1.00 0.00 H new ATOM 0 HA SER A 111 10.319 -6.105 8.501 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.216 -7.752 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.895 -9.046 9.128 1.00 0.00 H new ATOM 0 HG SER A 111 11.128 -8.114 11.075 1.00 0.00 H new ATOM 1675 N VAL A 112 11.783 -6.734 6.596 1.00 0.00 N ATOM 1676 CA VAL A 112 12.733 -7.116 5.567 1.00 0.00 C ATOM 1677 C VAL A 112 14.144 -7.087 6.132 1.00 0.00 C ATOM 1678 O VAL A 112 14.646 -6.039 6.532 1.00 0.00 O ATOM 1679 CB VAL A 112 12.648 -6.195 4.333 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.521 -6.726 3.207 1.00 0.00 C ATOM 1681 CG2 VAL A 112 11.209 -6.050 3.870 1.00 0.00 C ATOM 0 H VAL A 112 11.803 -5.746 6.848 1.00 0.00 H new ATOM 0 HA VAL A 112 12.482 -8.127 5.245 1.00 0.00 H new ATOM 0 HB VAL A 112 13.017 -5.209 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.447 -6.062 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.557 -6.773 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.185 -7.724 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.171 -5.396 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.811 -7.030 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.610 -5.619 4.673 1.00 0.00 H new ATOM 1691 N ARG A 113 14.775 -8.245 6.164 1.00 0.00 N ATOM 1692 CA ARG A 113 16.097 -8.376 6.746 1.00 0.00 C ATOM 1693 C ARG A 113 17.167 -8.240 5.672 1.00 0.00 C ATOM 1694 O ARG A 113 17.548 -9.226 5.035 1.00 0.00 O ATOM 1695 CB ARG A 113 16.214 -9.720 7.467 1.00 0.00 C ATOM 1696 CG ARG A 113 17.535 -9.924 8.191 1.00 0.00 C ATOM 1697 CD ARG A 113 17.475 -11.133 9.110 1.00 0.00 C ATOM 1698 NE ARG A 113 16.448 -10.969 10.137 1.00 0.00 N ATOM 1699 CZ ARG A 113 15.430 -11.806 10.329 1.00 0.00 C ATOM 1700 NH1 ARG A 113 15.365 -12.954 9.665 1.00 0.00 N ATOM 1701 NH2 ARG A 113 14.490 -11.504 11.213 1.00 0.00 N ATOM 0 H ARG A 113 14.391 -9.113 5.791 1.00 0.00 H new ATOM 0 HA ARG A 113 16.248 -7.577 7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.400 -9.806 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.082 -10.522 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 113 18.335 -10.056 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.776 -9.034 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 113 17.266 -12.028 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 113 18.446 -11.281 9.584 1.00 0.00 H new ATOM 0 HE ARG A 113 16.516 -10.156 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.099 -13.201 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.581 -13.589 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.548 -10.634 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.708 -12.141 11.364 1.00 0.00 H new ATOM 1715 N ASP A 114 17.584 -6.997 5.429 1.00 0.00 N ATOM 1716 CA ASP A 114 18.696 -6.695 4.520 1.00 0.00 C ATOM 1717 C ASP A 114 18.376 -7.091 3.070 1.00 0.00 C ATOM 1718 O ASP A 114 19.245 -7.086 2.197 1.00 0.00 O ATOM 1719 CB ASP A 114 19.959 -7.402 5.020 1.00 0.00 C ATOM 1720 CG ASP A 114 21.202 -7.025 4.248 1.00 0.00 C ATOM 1721 OD1 ASP A 114 21.517 -5.823 4.168 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.889 -7.942 3.745 1.00 0.00 O ATOM 0 H ASP A 114 17.163 -6.171 5.855 1.00 0.00 H new ATOM 0 HA ASP A 114 18.860 -5.617 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 114 20.108 -7.163 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.813 -8.480 4.955 1.00 0.00 H new ATOM 1727 N GLY A 115 17.114 -7.398 2.814 1.00 0.00 N ATOM 1728 CA GLY A 115 16.708 -7.819 1.491 1.00 0.00 C ATOM 1729 C GLY A 115 15.750 -8.990 1.540 1.00 0.00 C ATOM 1730 O GLY A 115 14.985 -9.214 0.607 1.00 0.00 O ATOM 0 H GLY A 115 16.362 -7.363 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.235 -6.984 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.589 -8.095 0.912 1.00 0.00 H new ATOM 1734 N ALA A 116 15.785 -9.731 2.638 1.00 0.00 N ATOM 1735 CA ALA A 116 14.917 -10.892 2.800 1.00 0.00 C ATOM 1736 C ALA A 116 13.702 -10.561 3.662 1.00 0.00 C ATOM 1737 O ALA A 116 13.819 -10.403 4.877 1.00 0.00 O ATOM 1738 CB ALA A 116 15.695 -12.058 3.396 1.00 0.00 C ATOM 0 H ALA A 116 16.403 -9.551 3.429 1.00 0.00 H new ATOM 0 HA ALA A 116 14.555 -11.181 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.033 -12.916 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.520 -12.321 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.090 -11.772 4.371 1.00 0.00 H new ATOM 1744 N PRO A 117 12.519 -10.428 3.040 1.00 0.00 N ATOM 1745 CA PRO A 117 11.269 -10.177 3.755 1.00 0.00 C ATOM 1746 C PRO A 117 10.775 -11.432 4.465 1.00 0.00 C ATOM 1747 O PRO A 117 10.418 -12.421 3.820 1.00 0.00 O ATOM 1748 CB PRO A 117 10.281 -9.763 2.652 1.00 0.00 C ATOM 1749 CG PRO A 117 11.093 -9.632 1.405 1.00 0.00 C ATOM 1750 CD PRO A 117 12.296 -10.509 1.594 1.00 0.00 C ATOM 0 HA PRO A 117 11.386 -9.418 4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.496 -10.509 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.791 -8.822 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.519 -9.942 0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.389 -8.596 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.108 -11.532 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.155 -10.147 1.029 1.00 0.00 H new ATOM 1758 N GLU A 118 10.766 -11.390 5.789 1.00 0.00 N ATOM 1759 CA GLU A 118 10.375 -12.546 6.579 1.00 0.00 C ATOM 1760 C GLU A 118 8.872 -12.557 6.832 1.00 0.00 C ATOM 1761 O GLU A 118 8.152 -13.411 6.314 1.00 0.00 O ATOM 1762 CB GLU A 118 11.123 -12.568 7.917 1.00 0.00 C ATOM 1763 CG GLU A 118 10.842 -13.815 8.739 1.00 0.00 C ATOM 1764 CD GLU A 118 11.651 -13.879 10.016 1.00 0.00 C ATOM 1765 OE1 GLU A 118 12.889 -14.009 9.932 1.00 0.00 O ATOM 1766 OE2 GLU A 118 11.055 -13.827 11.110 1.00 0.00 O ATOM 0 H GLU A 118 11.024 -10.570 6.337 1.00 0.00 H new ATOM 0 HA GLU A 118 10.639 -13.437 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.194 -12.499 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.844 -11.688 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.781 -13.848 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.057 -14.697 8.135 1.00 0.00 H new ATOM 1773 N ALA A 119 8.407 -11.607 7.623 1.00 0.00 N ATOM 1774 CA ALA A 119 7.014 -11.579 8.037 1.00 0.00 C ATOM 1775 C ALA A 119 6.256 -10.417 7.409 1.00 0.00 C ATOM 1776 O ALA A 119 6.710 -9.270 7.441 1.00 0.00 O ATOM 1777 CB ALA A 119 6.919 -11.513 9.553 1.00 0.00 C ATOM 0 H ALA A 119 8.973 -10.843 7.992 1.00 0.00 H new ATOM 0 HA ALA A 119 6.548 -12.500 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.871 -11.492 9.851 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.403 -12.389 9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.415 -10.611 9.910 1.00 0.00 H new ATOM 1783 N LEU A 120 5.112 -10.739 6.820 1.00 0.00 N ATOM 1784 CA LEU A 120 4.174 -9.740 6.329 1.00 0.00 C ATOM 1785 C LEU A 120 2.985 -9.654 7.275 1.00 0.00 C ATOM 1786 O LEU A 120 2.293 -10.649 7.501 1.00 0.00 O ATOM 1787 CB LEU A 120 3.686 -10.111 4.923 1.00 0.00 C ATOM 1788 CG LEU A 120 4.594 -9.682 3.770 1.00 0.00 C ATOM 1789 CD1 LEU A 120 4.256 -10.455 2.504 1.00 0.00 C ATOM 1790 CD2 LEU A 120 4.455 -8.190 3.523 1.00 0.00 C ATOM 0 H LEU A 120 4.809 -11.701 6.669 1.00 0.00 H new ATOM 0 HA LEU A 120 4.678 -8.775 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.558 -11.192 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.702 -9.667 4.771 1.00 0.00 H new ATOM 0 HG LEU A 120 5.626 -9.902 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.913 -10.135 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.392 -11.522 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.220 -10.263 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.106 -7.895 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.421 -7.958 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.738 -7.644 4.423 1.00 0.00 H new ATOM 1802 N THR A 121 2.745 -8.478 7.829 1.00 0.00 N ATOM 1803 CA THR A 121 1.640 -8.295 8.757 1.00 0.00 C ATOM 1804 C THR A 121 0.835 -7.055 8.395 1.00 0.00 C ATOM 1805 O THR A 121 1.401 -6.006 8.089 1.00 0.00 O ATOM 1806 CB THR A 121 2.136 -8.185 10.218 1.00 0.00 C ATOM 1807 OG1 THR A 121 3.218 -7.251 10.303 1.00 0.00 O ATOM 1808 CG2 THR A 121 2.590 -9.535 10.755 1.00 0.00 C ATOM 0 H THR A 121 3.297 -7.638 7.654 1.00 0.00 H new ATOM 0 HA THR A 121 1.002 -9.175 8.677 1.00 0.00 H new ATOM 0 HB THR A 121 1.300 -7.837 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.374 -6.850 9.423 1.00 0.00 H new ATOM 0 HG21 THR A 121 2.932 -9.421 11.784 1.00 0.00 H new ATOM 0 HG22 THR A 121 1.757 -10.237 10.725 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.407 -9.915 10.141 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.482 -7.184 8.410 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.355 -6.062 8.134 1.00 0.00 C ATOM 1818 C ALA A 122 -2.066 -5.643 9.404 1.00 0.00 C ATOM 1819 O ALA A 122 -2.422 -6.479 10.240 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.349 -6.409 7.031 1.00 0.00 C ATOM 0 H ALA A 122 -0.968 -8.058 8.611 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.756 -5.223 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.995 -5.552 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.807 -6.665 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.957 -7.259 7.343 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.232 -4.347 9.560 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.794 -3.791 10.769 1.00 0.00 C ATOM 1828 C TRP A 123 -3.836 -2.737 10.447 1.00 0.00 C ATOM 1829 O TRP A 123 -3.641 -1.905 9.558 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.682 -3.169 11.611 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.585 -4.128 11.957 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.558 -4.373 11.243 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.539 -4.987 13.098 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.322 -5.317 11.892 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.667 -5.709 13.033 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.402 -5.206 14.170 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.031 -6.636 14.008 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -1.049 -6.126 15.136 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.166 -6.833 15.050 1.00 0.00 C ATOM 0 H TRP A 123 -1.982 -3.653 8.855 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.276 -4.594 11.327 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.257 -2.324 11.070 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.112 -2.774 12.531 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.821 -3.897 10.310 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.226 -5.668 11.577 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.333 -4.664 14.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 1.962 -7.179 13.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.713 -6.306 15.969 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.420 -7.545 15.822 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.934 -2.766 11.173 1.00 0.00 N ATOM 1851 CA ALA A 124 -5.960 -1.761 11.016 1.00 0.00 C ATOM 1852 C ALA A 124 -5.910 -0.782 12.180 1.00 0.00 C ATOM 1853 O ALA A 124 -5.921 -1.183 13.344 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.333 -2.412 10.915 1.00 0.00 C ATOM 0 H ALA A 124 -5.137 -3.475 11.877 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.778 -1.212 10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.094 -1.640 10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.357 -3.079 10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.533 -2.983 11.822 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.829 0.497 11.861 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.811 1.531 12.879 1.00 0.00 C ATOM 1862 C LEU A 125 -7.234 1.874 13.274 1.00 0.00 C ATOM 1863 O LEU A 125 -8.036 2.294 12.438 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.089 2.781 12.364 1.00 0.00 C ATOM 1865 CG LEU A 125 -5.028 3.956 13.346 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -4.269 3.570 14.607 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.383 5.166 12.689 1.00 0.00 C ATOM 0 H LEU A 125 -5.775 0.845 10.904 1.00 0.00 H new ATOM 0 HA LEU A 125 -5.272 1.161 13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.071 2.505 12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.584 3.116 11.453 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.048 4.215 13.628 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.239 4.420 15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.772 2.733 15.092 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.252 3.279 14.345 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.348 5.991 13.401 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.370 4.913 12.376 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -4.968 5.462 11.818 1.00 0.00 H new ATOM 1879 N ALA A 126 -7.550 1.673 14.542 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.867 2.007 15.047 1.00 0.00 C ATOM 1881 C ALA A 126 -9.086 3.514 14.963 1.00 0.00 C ATOM 1882 O ALA A 126 -8.144 4.279 15.160 1.00 0.00 O ATOM 1883 CB ALA A 126 -9.013 1.532 16.484 1.00 0.00 C ATOM 0 H ALA A 126 -6.914 1.282 15.237 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.619 1.506 14.438 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.006 1.788 16.853 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.878 0.451 16.525 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.259 2.016 17.105 1.00 0.00 H new ATOM 1889 N PRO A 127 -10.315 3.964 14.658 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.647 5.398 14.627 1.00 0.00 C ATOM 1891 C PRO A 127 -10.373 6.059 15.978 1.00 0.00 C ATOM 1892 O PRO A 127 -10.136 7.264 16.071 1.00 0.00 O ATOM 1893 CB PRO A 127 -12.147 5.415 14.308 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.415 4.101 13.659 1.00 0.00 C ATOM 1895 CD PRO A 127 -11.473 3.124 14.305 1.00 0.00 C ATOM 0 HA PRO A 127 -10.050 5.950 13.901 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.742 5.538 15.213 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.401 6.242 13.645 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.452 3.798 13.804 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.246 4.155 12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.916 2.657 15.185 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -11.196 2.320 13.623 1.00 0.00 H new ATOM 1903 N ASP A 128 -10.403 5.234 17.017 1.00 0.00 N ATOM 1904 CA ASP A 128 -10.089 5.654 18.379 1.00 0.00 C ATOM 1905 C ASP A 128 -8.596 5.990 18.504 1.00 0.00 C ATOM 1906 O ASP A 128 -8.179 6.744 19.382 1.00 0.00 O ATOM 1907 CB ASP A 128 -10.479 4.522 19.334 1.00 0.00 C ATOM 1908 CG ASP A 128 -10.249 4.853 20.789 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -11.008 5.669 21.346 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -9.322 4.278 21.388 1.00 0.00 O ATOM 0 H ASP A 128 -10.648 4.247 16.939 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.649 6.554 18.633 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -11.532 4.280 19.187 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.908 3.629 19.078 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.814 5.414 17.591 1.00 0.00 N ATOM 1916 CA ARG A 129 -6.368 5.644 17.474 1.00 0.00 C ATOM 1917 C ARG A 129 -5.624 5.436 18.799 1.00 0.00 C ATOM 1918 O ARG A 129 -4.647 6.124 19.094 1.00 0.00 O ATOM 1919 CB ARG A 129 -6.065 7.041 16.912 1.00 0.00 C ATOM 1920 CG ARG A 129 -4.651 7.141 16.357 1.00 0.00 C ATOM 1921 CD ARG A 129 -4.245 8.564 16.012 1.00 0.00 C ATOM 1922 NE ARG A 129 -2.843 8.609 15.591 1.00 0.00 N ATOM 1923 CZ ARG A 129 -2.004 9.608 15.858 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -2.438 10.726 16.424 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -0.723 9.492 15.541 1.00 0.00 N ATOM 0 H ARG A 129 -8.173 4.760 16.896 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.001 4.895 16.773 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.781 7.277 16.124 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.199 7.784 17.698 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.951 6.737 17.088 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.573 6.521 15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.883 8.947 15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.392 9.210 16.877 1.00 0.00 H new ATOM 0 HE ARG A 129 -2.484 7.819 15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.425 10.828 16.660 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.785 11.484 16.623 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.383 8.640 15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.076 10.254 15.743 1.00 0.00 H new ATOM 1939 N SER A 130 -6.065 4.480 19.592 1.00 0.00 N ATOM 1940 CA SER A 130 -5.331 4.126 20.795 1.00 0.00 C ATOM 1941 C SER A 130 -4.438 2.918 20.540 1.00 0.00 C ATOM 1942 O SER A 130 -3.556 2.606 21.344 1.00 0.00 O ATOM 1943 CB SER A 130 -6.287 3.850 21.952 1.00 0.00 C ATOM 1944 OG SER A 130 -7.053 5.000 22.257 1.00 0.00 O ATOM 0 H SER A 130 -6.915 3.940 19.431 1.00 0.00 H new ATOM 0 HA SER A 130 -4.700 4.971 21.069 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.950 3.024 21.693 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.721 3.541 22.831 1.00 0.00 H new ATOM 0 HG SER A 130 -7.839 5.034 21.673 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.653 2.249 19.407 1.00 0.00 N ATOM 1951 CA GLU A 131 -3.895 1.052 19.075 1.00 0.00 C ATOM 1952 C GLU A 131 -4.187 0.600 17.650 1.00 0.00 C ATOM 1953 O GLU A 131 -5.071 1.134 16.973 1.00 0.00 O ATOM 1954 CB GLU A 131 -4.233 -0.084 20.047 1.00 0.00 C ATOM 1955 CG GLU A 131 -5.669 -0.571 19.935 1.00 0.00 C ATOM 1956 CD GLU A 131 -6.023 -1.604 20.983 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -6.424 -1.211 22.096 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -5.912 -2.814 20.699 1.00 0.00 O ATOM 0 H GLU A 131 -5.345 2.518 18.708 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.836 1.296 19.158 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.559 -0.921 19.864 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.051 0.255 21.067 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -6.344 0.280 20.028 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.827 -0.997 18.944 1.00 0.00 H new ATOM 1965 N PHE A 132 -3.433 -0.391 17.217 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.658 -1.049 15.947 1.00 0.00 C ATOM 1967 C PHE A 132 -4.255 -2.417 16.218 1.00 0.00 C ATOM 1968 O PHE A 132 -4.082 -2.963 17.307 1.00 0.00 O ATOM 1969 CB PHE A 132 -2.347 -1.207 15.168 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.745 0.087 14.704 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -0.865 0.788 15.511 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -2.051 0.593 13.452 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -0.305 1.973 15.078 1.00 0.00 C ATOM 1974 CE2 PHE A 132 -1.491 1.776 13.014 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.617 2.467 13.828 1.00 0.00 C ATOM 0 H PHE A 132 -2.642 -0.764 17.741 1.00 0.00 H new ATOM 0 HA PHE A 132 -4.336 -0.444 15.345 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.624 -1.726 15.798 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -2.528 -1.842 14.301 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -0.614 0.404 16.489 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -2.735 0.056 12.811 1.00 0.00 H new ATOM 0 HE1 PHE A 132 0.377 2.513 15.717 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -1.737 2.160 12.035 1.00 0.00 H new ATOM 0 HZ PHE A 132 -0.178 3.393 13.487 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.955 -2.965 15.250 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.533 -4.285 15.410 1.00 0.00 C ATOM 1987 C HIS A 133 -5.036 -5.202 14.317 1.00 0.00 C ATOM 1988 O HIS A 133 -4.879 -4.790 13.168 1.00 0.00 O ATOM 1989 CB HIS A 133 -7.065 -4.236 15.384 1.00 0.00 C ATOM 1990 CG HIS A 133 -7.684 -3.490 16.530 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -8.202 -4.116 17.643 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -7.884 -2.165 16.723 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -8.688 -3.213 18.471 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -8.510 -2.020 17.939 1.00 0.00 N ATOM 0 H HIS A 133 -5.138 -2.523 14.349 1.00 0.00 H new ATOM 0 HA HIS A 133 -5.223 -4.668 16.382 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.385 -3.773 14.451 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -7.448 -5.256 15.382 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.604 -1.370 16.048 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -9.153 -3.416 19.424 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -8.791 -1.134 18.360 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.765 -6.436 14.700 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.240 -7.432 13.789 1.00 0.00 C ATOM 2005 C ARG A 134 -5.224 -7.724 12.660 1.00 0.00 C ATOM 2006 O ARG A 134 -6.430 -7.871 12.877 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.915 -8.718 14.552 1.00 0.00 C ATOM 2008 CG ARG A 134 -3.630 -9.907 13.652 1.00 0.00 C ATOM 2009 CD ARG A 134 -2.299 -9.796 12.926 1.00 0.00 C ATOM 2010 NE ARG A 134 -2.143 -10.872 11.949 1.00 0.00 N ATOM 2011 CZ ARG A 134 -1.212 -11.824 12.025 1.00 0.00 C ATOM 2012 NH1 ARG A 134 -0.337 -11.831 13.024 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -1.173 -12.782 11.108 1.00 0.00 N ATOM 0 H ARG A 134 -4.903 -6.775 15.652 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.327 -7.037 13.344 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -3.050 -8.542 15.191 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.751 -8.962 15.207 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -3.637 -10.818 14.250 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -4.431 -10.001 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -2.235 -8.831 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.483 -9.834 13.648 1.00 0.00 H new ATOM 0 HE ARG A 134 -2.787 -10.896 11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.374 -11.105 13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.372 -12.562 13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -1.854 -12.789 10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.462 -13.512 11.163 1.00 0.00 H new ATOM 2027 N GLU A 135 -4.681 -7.812 11.463 1.00 0.00 N ATOM 2028 CA GLU A 135 -5.440 -8.140 10.273 1.00 0.00 C ATOM 2029 C GLU A 135 -4.694 -9.230 9.520 1.00 0.00 C ATOM 2030 O GLU A 135 -3.486 -9.403 9.707 1.00 0.00 O ATOM 2031 CB GLU A 135 -5.610 -6.889 9.397 1.00 0.00 C ATOM 2032 CG GLU A 135 -6.280 -7.138 8.051 1.00 0.00 C ATOM 2033 CD GLU A 135 -7.725 -7.586 8.163 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -7.969 -8.743 8.557 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -8.629 -6.790 7.822 1.00 0.00 O ATOM 0 H GLU A 135 -3.689 -7.656 11.287 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.435 -8.496 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -6.196 -6.153 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.628 -6.449 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -6.237 -6.224 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.715 -7.896 7.508 1.00 0.00 H new ATOM 2042 N ASP A 136 -5.401 -9.980 8.703 1.00 0.00 N ATOM 2043 CA ASP A 136 -4.785 -11.030 7.915 1.00 0.00 C ATOM 2044 C ASP A 136 -5.123 -10.851 6.451 1.00 0.00 C ATOM 2045 O ASP A 136 -6.054 -10.125 6.097 1.00 0.00 O ATOM 2046 CB ASP A 136 -5.227 -12.422 8.382 1.00 0.00 C ATOM 2047 CG ASP A 136 -4.517 -12.875 9.642 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -3.291 -13.108 9.588 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -5.184 -13.012 10.691 1.00 0.00 O ATOM 0 H ASP A 136 -6.407 -9.883 8.565 1.00 0.00 H new ATOM 0 HA ASP A 136 -3.706 -10.955 8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -6.302 -12.416 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.040 -13.143 7.586 1.00 0.00 H new ATOM 2054 N ILE A 137 -4.367 -11.515 5.598 1.00 0.00 N ATOM 2055 CA ILE A 137 -4.601 -11.436 4.174 1.00 0.00 C ATOM 2056 C ILE A 137 -5.678 -12.427 3.785 1.00 0.00 C ATOM 2057 O ILE A 137 -5.497 -13.641 3.916 1.00 0.00 O ATOM 2058 CB ILE A 137 -3.325 -11.721 3.368 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -2.221 -10.727 3.744 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -3.622 -11.653 1.883 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -2.587 -9.270 3.520 1.00 0.00 C ATOM 0 H ILE A 137 -3.587 -12.114 5.869 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.921 -10.420 3.943 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.975 -12.725 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -1.964 -10.867 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -1.328 -10.958 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.711 -11.856 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.379 -12.395 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.990 -10.658 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -1.750 -8.636 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -2.814 -9.110 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -3.460 -9.018 4.121 1.00 0.00 H new ATOM 2073 N VAL A 138 -6.804 -11.913 3.328 1.00 0.00 N ATOM 2074 CA VAL A 138 -7.939 -12.760 3.017 1.00 0.00 C ATOM 2075 C VAL A 138 -8.378 -12.643 1.570 1.00 0.00 C ATOM 2076 O VAL A 138 -8.486 -11.542 1.018 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.147 -12.456 3.918 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -8.986 -13.125 5.276 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -9.336 -10.958 4.087 1.00 0.00 C ATOM 0 H VAL A 138 -6.957 -10.918 3.165 1.00 0.00 H new ATOM 0 HA VAL A 138 -7.593 -13.777 3.199 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.036 -12.860 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -9.851 -12.897 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -8.908 -14.204 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -8.083 -12.753 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -10.197 -10.770 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -8.444 -10.528 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -9.503 -10.500 3.112 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.612 -13.794 0.970 1.00 0.00 N ATOM 2090 CA ARG A 139 -9.231 -13.883 -0.333 1.00 0.00 C ATOM 2091 C ARG A 139 -10.732 -14.050 -0.122 1.00 0.00 C ATOM 2092 O ARG A 139 -11.198 -15.122 0.265 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.635 -15.064 -1.108 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.138 -14.919 -1.346 1.00 0.00 C ATOM 2095 CD ARG A 139 -6.525 -16.164 -1.975 1.00 0.00 C ATOM 2096 NE ARG A 139 -6.628 -17.339 -1.108 1.00 0.00 N ATOM 2097 CZ ARG A 139 -5.581 -17.978 -0.582 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -4.348 -17.523 -0.778 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -5.771 -19.073 0.140 1.00 0.00 N ATOM 0 H ARG A 139 -8.375 -14.698 1.378 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.047 -12.983 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -8.823 -15.986 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.143 -15.156 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.958 -14.062 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.641 -14.712 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.023 -16.371 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -5.476 -15.974 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 139 -7.560 -17.692 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -4.197 -16.681 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -3.552 -18.016 -0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -6.716 -19.426 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -4.972 -19.563 0.543 1.00 0.00 H new ATOM 2113 N PRO A 140 -11.501 -12.980 -0.356 1.00 0.00 N ATOM 2114 CA PRO A 140 -12.898 -12.883 0.091 1.00 0.00 C ATOM 2115 C PRO A 140 -13.870 -13.781 -0.665 1.00 0.00 C ATOM 2116 O PRO A 140 -13.629 -14.166 -1.809 1.00 0.00 O ATOM 2117 CB PRO A 140 -13.243 -11.418 -0.170 1.00 0.00 C ATOM 2118 CG PRO A 140 -12.355 -11.017 -1.296 1.00 0.00 C ATOM 2119 CD PRO A 140 -11.075 -11.779 -1.101 1.00 0.00 C ATOM 0 HA PRO A 140 -12.991 -13.207 1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -14.294 -11.299 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -13.064 -10.805 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.810 -11.257 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -12.175 -9.942 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -10.614 -12.040 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -10.343 -11.198 -0.541 1.00 0.00 H new ATOM 2127 N ASP A 141 -14.967 -14.116 0.000 1.00 0.00 N ATOM 2128 CA ASP A 141 -16.080 -14.802 -0.639 1.00 0.00 C ATOM 2129 C ASP A 141 -17.084 -13.763 -1.121 1.00 0.00 C ATOM 2130 O ASP A 141 -17.731 -13.097 -0.313 1.00 0.00 O ATOM 2131 CB ASP A 141 -16.764 -15.772 0.331 1.00 0.00 C ATOM 2132 CG ASP A 141 -15.838 -16.859 0.839 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -15.423 -17.724 0.038 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -15.528 -16.864 2.050 1.00 0.00 O ATOM 0 H ASP A 141 -15.110 -13.921 0.991 1.00 0.00 H new ATOM 0 HA ASP A 141 -15.701 -15.382 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -17.156 -15.211 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -17.617 -16.233 -0.167 1.00 0.00 H new