USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 28 TYR OH : rot 8:sc= 0.822 USER MOD Set 1.2: A 42 THR OG1 : rot 98:sc= 1.3 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.115 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 160:sc= 0 USER MOD Single : A 7 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 8 THR OG1 : rot 55:sc= 0.873 USER MOD Single : A 12 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.034) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.57) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.000812 (180deg=-0.094) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0115) USER MOD Single : A 43 THR OG1 : rot -23:sc= 0.0723 USER MOD Single : A 44 MET CE :methyl -146:sc= 0 (180deg=-0.343) USER MOD Single : A 46 TYR OH : rot -8:sc= 0.386 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0.417 (180deg=0.416) USER MOD Single : A 52 ASN : amide:sc= -0.747 K(o=-0.75,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.995) USER MOD Single : A 54 MET CE :methyl -144:sc= -0.948 (180deg=-2.36!) USER MOD Single : A 55 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.9) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.176 K(o=0.18,f=-1.3) USER MOD Single : A 70 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.042) USER MOD Single : A 71 GLN : amide:sc= -2.95! C(o=-3!,f=-12!) USER MOD Single : A 74 HIS : no HE2:sc= -0.0178 X(o=-0.018,f=-0.22) USER MOD Single : A 83 THR OG1 : rot 75:sc= 0.965 USER MOD Single : A 87 LYS NZ :NH3+ -133:sc= -0.0436 (180deg=-0.278) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.7) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00336 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 96 ASN : amide:sc= 0.967 K(o=0.97,f=-7.7!) USER MOD Single : A 99 HIS : no HE2:sc= 0.583 K(o=0.58,f=-2.2!) USER MOD Single : A 106 LYS NZ :NH3+ -170:sc=-0.00574 (180deg=-0.121) USER MOD Single : A 109 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.4!) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= -0.0425 (180deg=-0.22) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 112 ASN : amide:sc= 0.729 K(o=0.73,f=-0.2) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -49:sc= 1.13 USER MOD Single : A 121 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.474) USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= -0.0595 (180deg=-0.297) USER MOD Single : A 201 ACD O2 : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.116 12.850 -15.066 1.00 0.00 N ATOM 2 CA MET A 1 17.431 11.596 -14.677 1.00 0.00 C ATOM 3 C MET A 1 17.306 11.501 -13.164 1.00 0.00 C ATOM 4 O MET A 1 18.199 10.990 -12.487 1.00 0.00 O ATOM 5 CB MET A 1 18.191 10.375 -15.200 1.00 0.00 C ATOM 6 CG MET A 1 18.215 10.267 -16.715 1.00 0.00 C ATOM 7 SD MET A 1 16.564 10.198 -17.438 1.00 0.00 S ATOM 8 CE MET A 1 15.926 8.705 -16.680 1.00 0.00 C ATOM 0 H1 MET A 1 18.132 12.930 -16.103 1.00 0.00 H new ATOM 0 H2 MET A 1 17.607 13.663 -14.664 1.00 0.00 H new ATOM 0 H3 MET A 1 19.091 12.839 -14.705 1.00 0.00 H new ATOM 0 HA MET A 1 16.435 11.611 -15.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.216 10.413 -14.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.737 9.473 -14.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.751 11.122 -17.127 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.770 9.374 -17.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.055 8.358 -17.236 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.695 7.933 -16.693 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.639 8.914 -15.649 1.00 0.00 H new ATOM 20 N GLU A 2 16.201 12.002 -12.634 1.00 0.00 N ATOM 21 CA GLU A 2 15.962 11.962 -11.201 1.00 0.00 C ATOM 22 C GLU A 2 14.546 11.497 -10.912 1.00 0.00 C ATOM 23 O GLU A 2 13.593 12.266 -11.046 1.00 0.00 O ATOM 24 CB GLU A 2 16.191 13.331 -10.571 1.00 0.00 C ATOM 25 CG GLU A 2 17.584 13.882 -10.794 1.00 0.00 C ATOM 26 CD GLU A 2 17.802 15.191 -10.075 1.00 0.00 C ATOM 27 OE1 GLU A 2 18.225 15.158 -8.902 1.00 0.00 O ATOM 28 OE2 GLU A 2 17.543 16.254 -10.676 1.00 0.00 O ATOM 0 H GLU A 2 15.456 12.441 -13.175 1.00 0.00 H new ATOM 0 HA GLU A 2 16.668 11.255 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.463 14.034 -10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.005 13.263 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.320 13.154 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.750 14.024 -11.862 1.00 0.00 H new ATOM 35 N PHE A 3 14.422 10.239 -10.525 1.00 0.00 N ATOM 36 CA PHE A 3 13.129 9.663 -10.193 1.00 0.00 C ATOM 37 C PHE A 3 12.494 10.414 -9.034 1.00 0.00 C ATOM 38 O PHE A 3 13.109 10.594 -7.978 1.00 0.00 O ATOM 39 CB PHE A 3 13.270 8.177 -9.847 1.00 0.00 C ATOM 40 CG PHE A 3 11.982 7.525 -9.420 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.076 7.068 -10.361 1.00 0.00 C ATOM 42 CD2 PHE A 3 11.678 7.373 -8.077 1.00 0.00 C ATOM 43 CE1 PHE A 3 9.891 6.472 -9.972 1.00 0.00 C ATOM 44 CE2 PHE A 3 10.497 6.778 -7.679 1.00 0.00 C ATOM 45 CZ PHE A 3 9.602 6.328 -8.629 1.00 0.00 C ATOM 0 H PHE A 3 15.206 9.593 -10.432 1.00 0.00 H new ATOM 0 HA PHE A 3 12.482 9.754 -11.065 1.00 0.00 H new ATOM 0 HB2 PHE A 3 13.663 7.648 -10.715 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.003 8.068 -9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 3 11.298 7.178 -11.412 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.375 7.725 -7.330 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.193 6.120 -10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.274 6.665 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.676 5.864 -8.322 1.00 0.00 H new ATOM 55 N THR A 4 11.275 10.863 -9.246 1.00 0.00 N ATOM 56 CA THR A 4 10.539 11.572 -8.223 1.00 0.00 C ATOM 57 C THR A 4 9.576 10.635 -7.521 1.00 0.00 C ATOM 58 O THR A 4 8.811 9.909 -8.162 1.00 0.00 O ATOM 59 CB THR A 4 9.754 12.754 -8.805 1.00 0.00 C ATOM 60 OG1 THR A 4 10.212 13.041 -10.135 1.00 0.00 O ATOM 61 CG2 THR A 4 9.936 13.974 -7.926 1.00 0.00 C ATOM 0 H THR A 4 10.770 10.748 -10.125 1.00 0.00 H new ATOM 0 HA THR A 4 11.268 11.958 -7.510 1.00 0.00 H new ATOM 0 HB THR A 4 8.696 12.493 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.705 13.796 -10.500 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.376 14.811 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.569 13.757 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.994 14.233 -7.878 1.00 0.00 H new ATOM 69 N VAL A 5 9.629 10.649 -6.206 1.00 0.00 N ATOM 70 CA VAL A 5 8.778 9.793 -5.401 1.00 0.00 C ATOM 71 C VAL A 5 7.465 10.504 -5.101 1.00 0.00 C ATOM 72 O VAL A 5 7.427 11.726 -4.940 1.00 0.00 O ATOM 73 CB VAL A 5 9.463 9.373 -4.074 1.00 0.00 C ATOM 74 CG1 VAL A 5 10.936 9.090 -4.310 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.279 10.407 -2.973 1.00 0.00 C ATOM 0 H VAL A 5 10.256 11.247 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 5 8.587 8.886 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 5 8.976 8.460 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.405 8.796 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.040 8.283 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.422 9.987 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.777 10.065 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.712 11.356 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.216 10.542 -2.774 1.00 0.00 H new ATOM 85 N SER A 6 6.392 9.735 -5.073 1.00 0.00 N ATOM 86 CA SER A 6 5.073 10.271 -4.785 1.00 0.00 C ATOM 87 C SER A 6 4.969 10.657 -3.313 1.00 0.00 C ATOM 88 O SER A 6 4.886 9.796 -2.437 1.00 0.00 O ATOM 89 CB SER A 6 4.003 9.245 -5.160 1.00 0.00 C ATOM 90 OG SER A 6 4.113 8.895 -6.531 1.00 0.00 O ATOM 0 H SER A 6 6.408 8.730 -5.247 1.00 0.00 H new ATOM 0 HA SER A 6 4.913 11.170 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.111 8.354 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.012 9.654 -4.961 1.00 0.00 H new ATOM 0 HG SER A 6 3.665 8.037 -6.687 1.00 0.00 H new ATOM 96 N THR A 7 5.010 11.955 -3.052 1.00 0.00 N ATOM 97 CA THR A 7 4.986 12.467 -1.694 1.00 0.00 C ATOM 98 C THR A 7 3.566 12.519 -1.143 1.00 0.00 C ATOM 99 O THR A 7 2.618 12.101 -1.805 1.00 0.00 O ATOM 100 CB THR A 7 5.595 13.879 -1.634 1.00 0.00 C ATOM 101 OG1 THR A 7 4.805 14.789 -2.413 1.00 0.00 O ATOM 102 CG2 THR A 7 7.023 13.872 -2.154 1.00 0.00 C ATOM 0 H THR A 7 5.060 12.677 -3.771 1.00 0.00 H new ATOM 0 HA THR A 7 5.578 11.784 -1.084 1.00 0.00 H new ATOM 0 HB THR A 7 5.602 14.203 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.906 14.578 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.434 14.880 -2.102 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.629 13.202 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.032 13.529 -3.189 1.00 0.00 H new ATOM 110 N THR A 8 3.429 13.041 0.068 1.00 0.00 N ATOM 111 CA THR A 8 2.132 13.200 0.700 1.00 0.00 C ATOM 112 C THR A 8 1.187 14.018 -0.179 1.00 0.00 C ATOM 113 O THR A 8 0.029 13.645 -0.378 1.00 0.00 O ATOM 114 CB THR A 8 2.281 13.876 2.075 1.00 0.00 C ATOM 115 OG1 THR A 8 3.147 13.093 2.914 1.00 0.00 O ATOM 116 CG2 THR A 8 0.928 14.044 2.740 1.00 0.00 C ATOM 0 H THR A 8 4.212 13.364 0.636 1.00 0.00 H new ATOM 0 HA THR A 8 1.705 12.206 0.835 1.00 0.00 H new ATOM 0 HB THR A 8 2.718 14.864 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.002 12.948 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.057 14.524 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.288 14.663 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.466 13.066 2.877 1.00 0.00 H new ATOM 124 N GLU A 9 1.694 15.116 -0.726 1.00 0.00 N ATOM 125 CA GLU A 9 0.886 15.982 -1.568 1.00 0.00 C ATOM 126 C GLU A 9 0.437 15.250 -2.834 1.00 0.00 C ATOM 127 O GLU A 9 -0.717 15.364 -3.249 1.00 0.00 O ATOM 128 CB GLU A 9 1.651 17.252 -1.934 1.00 0.00 C ATOM 129 CG GLU A 9 0.794 18.273 -2.655 1.00 0.00 C ATOM 130 CD GLU A 9 1.567 19.509 -3.054 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.162 19.509 -4.151 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.577 20.487 -2.281 1.00 0.00 O ATOM 0 H GLU A 9 2.658 15.425 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.001 16.264 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.055 17.701 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.500 16.989 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.364 17.815 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.037 18.562 -2.012 1.00 0.00 H new ATOM 139 N ASP A 10 1.348 14.492 -3.437 1.00 0.00 N ATOM 140 CA ASP A 10 1.021 13.709 -4.630 1.00 0.00 C ATOM 141 C ASP A 10 0.015 12.626 -4.280 1.00 0.00 C ATOM 142 O ASP A 10 -0.919 12.354 -5.036 1.00 0.00 O ATOM 143 CB ASP A 10 2.264 13.054 -5.236 1.00 0.00 C ATOM 144 CG ASP A 10 3.363 14.038 -5.565 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.213 14.801 -6.541 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.393 14.039 -4.859 1.00 0.00 O ATOM 0 H ASP A 10 2.314 14.402 -3.123 1.00 0.00 H new ATOM 0 HA ASP A 10 0.599 14.395 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.650 12.310 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.979 12.522 -6.144 1.00 0.00 H new ATOM 151 N LEU A 11 0.213 12.021 -3.117 1.00 0.00 N ATOM 152 CA LEU A 11 -0.657 10.962 -2.631 1.00 0.00 C ATOM 153 C LEU A 11 -2.081 11.473 -2.438 1.00 0.00 C ATOM 154 O LEU A 11 -3.045 10.739 -2.642 1.00 0.00 O ATOM 155 CB LEU A 11 -0.100 10.388 -1.324 1.00 0.00 C ATOM 156 CG LEU A 11 -0.955 9.313 -0.667 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.024 8.078 -1.548 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.392 8.963 0.701 1.00 0.00 C ATOM 0 H LEU A 11 0.980 12.251 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.689 10.167 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.888 9.972 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.034 11.206 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.967 9.698 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.639 7.319 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.464 8.341 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.019 7.685 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.010 8.193 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.627 8.592 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.388 9.852 1.331 1.00 0.00 H new ATOM 170 N GLN A 12 -2.208 12.748 -2.071 1.00 0.00 N ATOM 171 CA GLN A 12 -3.518 13.363 -1.886 1.00 0.00 C ATOM 172 C GLN A 12 -4.277 13.409 -3.204 1.00 0.00 C ATOM 173 O GLN A 12 -5.494 13.215 -3.239 1.00 0.00 O ATOM 174 CB GLN A 12 -3.384 14.775 -1.314 1.00 0.00 C ATOM 175 CG GLN A 12 -2.924 14.816 0.134 1.00 0.00 C ATOM 176 CD GLN A 12 -2.677 16.227 0.642 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.861 16.507 1.826 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.259 17.124 -0.240 1.00 0.00 N ATOM 0 H GLN A 12 -1.420 13.372 -1.897 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.076 12.753 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.678 15.337 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.347 15.280 -1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.676 14.337 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.007 14.235 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.118 16.855 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.079 18.084 0.055 1.00 0.00 H new ATOM 187 N ARG A 13 -3.548 13.662 -4.285 1.00 0.00 N ATOM 188 CA ARG A 13 -4.126 13.642 -5.619 1.00 0.00 C ATOM 189 C ARG A 13 -4.695 12.265 -5.928 1.00 0.00 C ATOM 190 O ARG A 13 -5.899 12.112 -6.122 1.00 0.00 O ATOM 191 CB ARG A 13 -3.079 13.998 -6.676 1.00 0.00 C ATOM 192 CG ARG A 13 -3.583 13.778 -8.091 1.00 0.00 C ATOM 193 CD ARG A 13 -2.466 13.825 -9.116 1.00 0.00 C ATOM 194 NE ARG A 13 -2.884 13.227 -10.383 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.054 12.923 -11.380 1.00 0.00 C ATOM 196 NH1 ARG A 13 -0.763 13.230 -11.299 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.514 12.308 -12.459 1.00 0.00 N ATOM 0 H ARG A 13 -2.553 13.884 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.924 14.384 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.787 15.041 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.185 13.396 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.085 12.812 -8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.326 14.539 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.164 14.859 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.594 13.296 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.876 13.030 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.402 13.701 -10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.134 12.994 -12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.503 12.067 -12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.879 12.075 -13.223 1.00 0.00 H new ATOM 211 N TYR A 14 -3.816 11.266 -5.942 1.00 0.00 N ATOM 212 CA TYR A 14 -4.188 9.910 -6.338 1.00 0.00 C ATOM 213 C TYR A 14 -5.298 9.353 -5.461 1.00 0.00 C ATOM 214 O TYR A 14 -6.208 8.688 -5.952 1.00 0.00 O ATOM 215 CB TYR A 14 -2.975 8.983 -6.284 1.00 0.00 C ATOM 216 CG TYR A 14 -1.834 9.439 -7.169 1.00 0.00 C ATOM 217 CD1 TYR A 14 -2.048 9.705 -8.514 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.548 9.598 -6.666 1.00 0.00 C ATOM 219 CE1 TYR A 14 -1.017 10.118 -9.332 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.489 10.011 -7.480 1.00 0.00 C ATOM 221 CZ TYR A 14 0.249 10.271 -8.812 1.00 0.00 C ATOM 222 OH TYR A 14 1.278 10.683 -9.625 1.00 0.00 O ATOM 0 H TYR A 14 -2.835 11.371 -5.682 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.557 9.962 -7.362 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.623 8.916 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.279 7.980 -6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.039 9.587 -8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.357 9.396 -5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.202 10.321 -10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.483 10.130 -7.075 1.00 0.00 H new ATOM 0 HH TYR A 14 2.105 10.741 -9.102 1.00 0.00 H new ATOM 232 N ARG A 15 -5.234 9.643 -4.171 1.00 0.00 N ATOM 233 CA ARG A 15 -6.237 9.159 -3.240 1.00 0.00 C ATOM 234 C ARG A 15 -7.597 9.760 -3.576 1.00 0.00 C ATOM 235 O ARG A 15 -8.616 9.076 -3.535 1.00 0.00 O ATOM 236 CB ARG A 15 -5.816 9.470 -1.795 1.00 0.00 C ATOM 237 CG ARG A 15 -6.898 10.109 -0.936 1.00 0.00 C ATOM 238 CD ARG A 15 -6.467 10.204 0.523 1.00 0.00 C ATOM 239 NE ARG A 15 -7.488 10.844 1.348 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.669 10.587 2.641 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.936 9.663 3.254 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.604 11.243 3.316 1.00 0.00 N ATOM 0 H ARG A 15 -4.499 10.210 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.322 8.076 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.494 8.544 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.952 10.134 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.125 11.105 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.815 9.524 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.262 9.205 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.537 10.769 0.592 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.100 11.530 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.229 9.145 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.081 9.472 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.180 11.940 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.747 11.050 4.307 1.00 0.00 H new ATOM 256 N THR A 16 -7.588 11.032 -3.953 1.00 0.00 N ATOM 257 CA THR A 16 -8.799 11.734 -4.335 1.00 0.00 C ATOM 258 C THR A 16 -9.410 11.131 -5.597 1.00 0.00 C ATOM 259 O THR A 16 -10.602 10.815 -5.635 1.00 0.00 O ATOM 260 CB THR A 16 -8.494 13.223 -4.575 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.170 13.864 -3.334 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.663 13.927 -5.245 1.00 0.00 C ATOM 0 H THR A 16 -6.743 11.601 -4.001 1.00 0.00 H new ATOM 0 HA THR A 16 -9.516 11.633 -3.520 1.00 0.00 H new ATOM 0 HB THR A 16 -7.638 13.289 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.220 13.729 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.415 14.977 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.868 13.457 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.545 13.853 -4.609 1.00 0.00 H new ATOM 270 N GLU A 17 -8.581 10.967 -6.624 1.00 0.00 N ATOM 271 CA GLU A 17 -9.044 10.437 -7.900 1.00 0.00 C ATOM 272 C GLU A 17 -9.605 9.030 -7.715 1.00 0.00 C ATOM 273 O GLU A 17 -10.611 8.673 -8.322 1.00 0.00 O ATOM 274 CB GLU A 17 -7.916 10.415 -8.943 1.00 0.00 C ATOM 275 CG GLU A 17 -6.971 11.605 -8.864 1.00 0.00 C ATOM 276 CD GLU A 17 -5.876 11.550 -9.911 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.609 12.587 -10.559 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.284 10.472 -10.101 1.00 0.00 O ATOM 0 H GLU A 17 -7.587 11.193 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.831 11.096 -8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.339 9.498 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.358 10.381 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.541 12.526 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.519 11.640 -7.873 1.00 0.00 H new ATOM 285 N CYS A 18 -8.968 8.244 -6.855 1.00 0.00 N ATOM 286 CA CYS A 18 -9.437 6.895 -6.570 1.00 0.00 C ATOM 287 C CYS A 18 -10.734 6.929 -5.776 1.00 0.00 C ATOM 288 O CYS A 18 -11.617 6.097 -5.982 1.00 0.00 O ATOM 289 CB CYS A 18 -8.376 6.093 -5.818 1.00 0.00 C ATOM 290 SG CYS A 18 -6.875 5.773 -6.799 1.00 0.00 S ATOM 0 H CYS A 18 -8.128 8.517 -6.345 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.628 6.402 -7.523 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.100 6.632 -4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.806 5.141 -5.505 1.00 0.00 H new ATOM 295 N VAL A 19 -10.858 7.912 -4.893 1.00 0.00 N ATOM 296 CA VAL A 19 -12.060 8.078 -4.096 1.00 0.00 C ATOM 297 C VAL A 19 -13.248 8.391 -4.993 1.00 0.00 C ATOM 298 O VAL A 19 -14.272 7.705 -4.952 1.00 0.00 O ATOM 299 CB VAL A 19 -11.891 9.183 -3.022 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.233 9.776 -2.622 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.186 8.620 -1.799 1.00 0.00 C ATOM 0 H VAL A 19 -10.135 8.608 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.242 7.138 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.285 9.980 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.079 10.548 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.712 10.214 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.870 8.991 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.073 9.405 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.776 7.804 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.203 8.247 -2.085 1.00 0.00 H new ATOM 311 N SER A 20 -13.085 9.404 -5.824 1.00 0.00 N ATOM 312 CA SER A 20 -14.138 9.839 -6.723 1.00 0.00 C ATOM 313 C SER A 20 -14.459 8.758 -7.766 1.00 0.00 C ATOM 314 O SER A 20 -15.624 8.536 -8.104 1.00 0.00 O ATOM 315 CB SER A 20 -13.708 11.141 -7.402 1.00 0.00 C ATOM 316 OG SER A 20 -14.765 11.714 -8.149 1.00 0.00 O ATOM 0 H SER A 20 -12.224 9.946 -5.895 1.00 0.00 H new ATOM 0 HA SER A 20 -15.048 10.013 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.369 11.851 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.861 10.946 -8.060 1.00 0.00 H new ATOM 0 HG SER A 20 -14.457 12.545 -8.568 1.00 0.00 H new ATOM 322 N SER A 21 -13.431 8.067 -8.250 1.00 0.00 N ATOM 323 CA SER A 21 -13.604 7.044 -9.276 1.00 0.00 C ATOM 324 C SER A 21 -14.339 5.825 -8.720 1.00 0.00 C ATOM 325 O SER A 21 -15.313 5.355 -9.311 1.00 0.00 O ATOM 326 CB SER A 21 -12.237 6.626 -9.826 1.00 0.00 C ATOM 327 OG SER A 21 -12.357 5.642 -10.839 1.00 0.00 O ATOM 0 H SER A 21 -12.466 8.198 -7.947 1.00 0.00 H new ATOM 0 HA SER A 21 -14.207 7.464 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.724 7.500 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.621 6.239 -9.014 1.00 0.00 H new ATOM 0 HG SER A 21 -11.466 5.400 -11.168 1.00 0.00 H new ATOM 333 N LEU A 22 -13.886 5.326 -7.576 1.00 0.00 N ATOM 334 CA LEU A 22 -14.438 4.103 -7.007 1.00 0.00 C ATOM 335 C LEU A 22 -15.681 4.377 -6.162 1.00 0.00 C ATOM 336 O LEU A 22 -16.204 3.476 -5.505 1.00 0.00 O ATOM 337 CB LEU A 22 -13.373 3.392 -6.173 1.00 0.00 C ATOM 338 CG LEU A 22 -12.206 2.835 -6.980 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.066 2.436 -6.062 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.660 1.645 -7.802 1.00 0.00 C ATOM 0 H LEU A 22 -13.139 5.749 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.743 3.459 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.985 4.090 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.843 2.575 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.849 3.613 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.242 2.041 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.725 3.308 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.410 1.672 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.818 1.256 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.038 0.867 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.451 1.955 -8.485 1.00 0.00 H new ATOM 352 N ASN A 23 -16.150 5.627 -6.197 1.00 0.00 N ATOM 353 CA ASN A 23 -17.332 6.051 -5.442 1.00 0.00 C ATOM 354 C ASN A 23 -17.157 5.748 -3.949 1.00 0.00 C ATOM 355 O ASN A 23 -18.064 5.250 -3.286 1.00 0.00 O ATOM 356 CB ASN A 23 -18.585 5.368 -6.002 1.00 0.00 C ATOM 357 CG ASN A 23 -19.881 5.972 -5.489 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.448 5.520 -4.495 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.363 6.997 -6.170 1.00 0.00 N ATOM 0 H ASN A 23 -15.723 6.372 -6.748 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.452 7.129 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.569 5.431 -7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.559 4.309 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -21.233 7.441 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.865 7.344 -6.989 1.00 0.00 H new ATOM 366 N ILE A 24 -15.967 6.027 -3.435 1.00 0.00 N ATOM 367 CA ILE A 24 -15.666 5.799 -2.033 1.00 0.00 C ATOM 368 C ILE A 24 -16.399 6.813 -1.156 1.00 0.00 C ATOM 369 O ILE A 24 -16.191 8.021 -1.284 1.00 0.00 O ATOM 370 CB ILE A 24 -14.150 5.894 -1.767 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.369 5.008 -2.750 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.845 5.497 -0.329 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.666 3.526 -2.628 1.00 0.00 C ATOM 0 H ILE A 24 -15.192 6.414 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.004 4.793 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.835 6.926 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.594 5.329 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.302 5.167 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.772 5.568 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.370 6.166 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.175 4.472 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.073 2.975 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.413 3.186 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.725 3.351 -2.815 1.00 0.00 H new ATOM 385 N PRO A 25 -17.276 6.326 -0.265 1.00 0.00 N ATOM 386 CA PRO A 25 -18.051 7.177 0.644 1.00 0.00 C ATOM 387 C PRO A 25 -17.162 8.006 1.563 1.00 0.00 C ATOM 388 O PRO A 25 -16.097 7.558 2.003 1.00 0.00 O ATOM 389 CB PRO A 25 -18.878 6.186 1.465 1.00 0.00 C ATOM 390 CG PRO A 25 -18.861 4.914 0.701 1.00 0.00 C ATOM 391 CD PRO A 25 -17.579 4.901 -0.080 1.00 0.00 C ATOM 0 HA PRO A 25 -18.654 7.900 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.452 6.051 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.898 6.546 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.914 4.057 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.721 4.850 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.784 4.389 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.696 4.388 -1.035 1.00 0.00 H new ATOM 399 N ALA A 26 -17.633 9.219 1.852 1.00 0.00 N ATOM 400 CA ALA A 26 -16.900 10.186 2.664 1.00 0.00 C ATOM 401 C ALA A 26 -16.528 9.620 4.029 1.00 0.00 C ATOM 402 O ALA A 26 -15.517 10.012 4.611 1.00 0.00 O ATOM 403 CB ALA A 26 -17.734 11.439 2.837 1.00 0.00 C ATOM 0 H ALA A 26 -18.538 9.559 1.527 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.972 10.423 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.186 12.160 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.946 11.873 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.671 11.187 3.333 1.00 0.00 H new ATOM 409 N ASP A 27 -17.366 8.718 4.538 1.00 0.00 N ATOM 410 CA ASP A 27 -17.101 8.033 5.805 1.00 0.00 C ATOM 411 C ASP A 27 -15.726 7.378 5.790 1.00 0.00 C ATOM 412 O ASP A 27 -14.899 7.632 6.667 1.00 0.00 O ATOM 413 CB ASP A 27 -18.160 6.961 6.077 1.00 0.00 C ATOM 414 CG ASP A 27 -19.540 7.531 6.319 1.00 0.00 C ATOM 415 OD1 ASP A 27 -20.297 7.690 5.339 1.00 0.00 O ATOM 416 OD2 ASP A 27 -19.881 7.804 7.487 1.00 0.00 O ATOM 0 H ASP A 27 -18.240 8.442 4.090 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.135 8.783 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.201 6.277 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.859 6.375 6.945 1.00 0.00 H new ATOM 421 N TYR A 28 -15.492 6.533 4.788 1.00 0.00 N ATOM 422 CA TYR A 28 -14.214 5.854 4.632 1.00 0.00 C ATOM 423 C TYR A 28 -13.071 6.853 4.496 1.00 0.00 C ATOM 424 O TYR A 28 -11.999 6.653 5.057 1.00 0.00 O ATOM 425 CB TYR A 28 -14.251 4.937 3.407 1.00 0.00 C ATOM 426 CG TYR A 28 -14.986 3.636 3.636 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.297 2.466 3.937 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.367 3.575 3.543 1.00 0.00 C ATOM 429 CE1 TYR A 28 -14.968 1.275 4.135 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.045 2.388 3.743 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.341 1.241 4.035 1.00 0.00 C ATOM 432 OH TYR A 28 -17.016 0.056 4.235 1.00 0.00 O ATOM 0 H TYR A 28 -16.178 6.303 4.069 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.040 5.256 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.724 5.469 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.229 4.716 3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.220 2.489 4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.923 4.471 3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.418 0.375 4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.122 2.360 3.671 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.391 -0.626 4.560 1.00 0.00 H new ATOM 442 N VAL A 29 -13.320 7.930 3.757 1.00 0.00 N ATOM 443 CA VAL A 29 -12.310 8.950 3.500 1.00 0.00 C ATOM 444 C VAL A 29 -11.745 9.528 4.800 1.00 0.00 C ATOM 445 O VAL A 29 -10.528 9.708 4.931 1.00 0.00 O ATOM 446 CB VAL A 29 -12.886 10.082 2.633 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.839 11.149 2.377 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.407 9.522 1.322 1.00 0.00 C ATOM 0 H VAL A 29 -14.223 8.119 3.322 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.495 8.466 2.961 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.714 10.543 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.268 11.940 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.507 11.568 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.988 10.707 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.813 10.332 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.592 9.039 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.191 8.792 1.524 1.00 0.00 H new ATOM 458 N GLU A 30 -12.621 9.803 5.768 1.00 0.00 N ATOM 459 CA GLU A 30 -12.176 10.311 7.063 1.00 0.00 C ATOM 460 C GLU A 30 -11.292 9.282 7.750 1.00 0.00 C ATOM 461 O GLU A 30 -10.248 9.619 8.303 1.00 0.00 O ATOM 462 CB GLU A 30 -13.346 10.647 7.982 1.00 0.00 C ATOM 463 CG GLU A 30 -14.497 11.340 7.289 1.00 0.00 C ATOM 464 CD GLU A 30 -15.523 11.847 8.276 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.515 11.130 8.526 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.332 12.957 8.817 1.00 0.00 O ATOM 0 H GLU A 30 -13.630 9.684 5.680 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.617 11.227 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.712 9.727 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.987 11.283 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.117 12.174 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.972 10.648 6.594 1.00 0.00 H new ATOM 473 N LYS A 31 -11.710 8.024 7.684 1.00 0.00 N ATOM 474 CA LYS A 31 -10.991 6.938 8.343 1.00 0.00 C ATOM 475 C LYS A 31 -9.577 6.816 7.799 1.00 0.00 C ATOM 476 O LYS A 31 -8.616 6.732 8.562 1.00 0.00 O ATOM 477 CB LYS A 31 -11.730 5.613 8.171 1.00 0.00 C ATOM 478 CG LYS A 31 -13.129 5.634 8.757 1.00 0.00 C ATOM 479 CD LYS A 31 -13.786 4.263 8.710 1.00 0.00 C ATOM 480 CE LYS A 31 -15.229 4.335 9.202 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.899 3.011 9.178 1.00 0.00 N ATOM 0 H LYS A 31 -12.546 7.729 7.179 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.938 7.173 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.790 5.372 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.155 4.818 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.084 5.980 9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.742 6.349 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.764 3.879 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.222 3.563 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.245 4.729 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.788 5.034 8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.876 3.110 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.909 2.644 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.382 2.349 9.792 1.00 0.00 H new ATOM 495 N PHE A 32 -9.458 6.832 6.477 1.00 0.00 N ATOM 496 CA PHE A 32 -8.165 6.709 5.817 1.00 0.00 C ATOM 497 C PHE A 32 -7.216 7.811 6.269 1.00 0.00 C ATOM 498 O PHE A 32 -6.016 7.585 6.409 1.00 0.00 O ATOM 499 CB PHE A 32 -8.320 6.761 4.296 1.00 0.00 C ATOM 500 CG PHE A 32 -9.275 5.744 3.733 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.991 6.017 2.580 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.458 4.519 4.355 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.867 5.086 2.056 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.332 3.587 3.836 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.037 3.871 2.685 1.00 0.00 C ATOM 0 H PHE A 32 -10.247 6.930 5.838 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.745 5.743 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.660 7.757 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.342 6.615 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.863 6.968 2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.909 4.292 5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.418 5.310 1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.464 2.636 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.722 3.142 2.277 1.00 0.00 H new ATOM 515 N LYS A 33 -7.763 8.999 6.515 1.00 0.00 N ATOM 516 CA LYS A 33 -6.959 10.140 6.941 1.00 0.00 C ATOM 517 C LYS A 33 -6.314 9.865 8.299 1.00 0.00 C ATOM 518 O LYS A 33 -5.180 10.272 8.550 1.00 0.00 O ATOM 519 CB LYS A 33 -7.819 11.403 7.026 1.00 0.00 C ATOM 520 CG LYS A 33 -7.001 12.687 7.034 1.00 0.00 C ATOM 521 CD LYS A 33 -6.354 12.943 5.681 1.00 0.00 C ATOM 522 CE LYS A 33 -5.506 14.207 5.686 1.00 0.00 C ATOM 523 NZ LYS A 33 -4.325 14.096 6.586 1.00 0.00 N ATOM 0 H LYS A 33 -8.760 9.196 6.426 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.174 10.295 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.507 11.424 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.426 11.361 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.643 13.528 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.230 12.624 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.732 12.090 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.129 13.029 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.167 14.418 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.120 15.052 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.700 14.915 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.644 14.074 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.805 13.221 6.371 1.00 0.00 H new ATOM 537 N LYS A 34 -7.034 9.156 9.165 1.00 0.00 N ATOM 538 CA LYS A 34 -6.508 8.800 10.483 1.00 0.00 C ATOM 539 C LYS A 34 -5.760 7.470 10.429 1.00 0.00 C ATOM 540 O LYS A 34 -5.575 6.811 11.456 1.00 0.00 O ATOM 541 CB LYS A 34 -7.628 8.715 11.532 1.00 0.00 C ATOM 542 CG LYS A 34 -8.215 10.056 11.951 1.00 0.00 C ATOM 543 CD LYS A 34 -9.253 10.547 10.960 1.00 0.00 C ATOM 544 CE LYS A 34 -9.966 11.790 11.463 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.103 12.166 10.583 1.00 0.00 N ATOM 0 H LYS A 34 -7.978 8.818 8.981 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.816 9.590 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.430 8.091 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.240 8.212 12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.669 9.962 12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.416 10.793 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.772 10.764 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.983 9.758 10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.331 11.615 12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.259 12.618 11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.512 13.065 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.764 12.274 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.829 11.422 10.617 1.00 0.00 H new ATOM 559 N TRP A 35 -5.324 7.099 9.228 1.00 0.00 N ATOM 560 CA TRP A 35 -4.636 5.834 8.986 1.00 0.00 C ATOM 561 C TRP A 35 -5.443 4.637 9.490 1.00 0.00 C ATOM 562 O TRP A 35 -4.903 3.731 10.129 1.00 0.00 O ATOM 563 CB TRP A 35 -3.248 5.855 9.623 1.00 0.00 C ATOM 564 CG TRP A 35 -2.329 6.856 8.995 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.076 8.121 9.432 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.550 6.678 7.805 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.178 8.740 8.596 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.841 7.876 7.589 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.377 5.623 6.906 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.023 8.046 6.509 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.521 5.793 5.836 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.172 6.993 5.645 1.00 0.00 C ATOM 0 H TRP A 35 -5.439 7.671 8.391 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.529 5.719 7.907 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.346 6.077 10.686 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.803 4.863 9.544 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.517 8.572 10.308 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.821 9.689 8.708 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.904 4.690 7.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.556 8.973 6.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.384 4.984 5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.837 7.091 4.800 1.00 0.00 H new ATOM 583 N GLU A 36 -6.733 4.639 9.189 1.00 0.00 N ATOM 584 CA GLU A 36 -7.616 3.543 9.553 1.00 0.00 C ATOM 585 C GLU A 36 -8.259 2.958 8.306 1.00 0.00 C ATOM 586 O GLU A 36 -9.078 3.604 7.653 1.00 0.00 O ATOM 587 CB GLU A 36 -8.691 4.012 10.531 1.00 0.00 C ATOM 588 CG GLU A 36 -8.148 4.399 11.891 1.00 0.00 C ATOM 589 CD GLU A 36 -9.234 4.856 12.842 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.057 4.014 13.255 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.266 6.056 13.187 1.00 0.00 O ATOM 0 H GLU A 36 -7.195 5.398 8.688 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.023 2.771 10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.213 4.867 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.428 3.218 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.625 3.547 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.415 5.197 11.772 1.00 0.00 H new ATOM 598 N PHE A 37 -7.869 1.741 7.973 1.00 0.00 N ATOM 599 CA PHE A 37 -8.336 1.094 6.755 1.00 0.00 C ATOM 600 C PHE A 37 -9.166 -0.144 7.085 1.00 0.00 C ATOM 601 O PHE A 37 -8.609 -1.209 7.365 1.00 0.00 O ATOM 602 CB PHE A 37 -7.135 0.712 5.877 1.00 0.00 C ATOM 603 CG PHE A 37 -6.230 1.875 5.574 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.249 2.252 6.477 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.365 2.597 4.397 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.423 3.326 6.216 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.539 3.671 4.131 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.568 4.038 5.042 1.00 0.00 C ATOM 0 H PHE A 37 -7.227 1.177 8.530 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.970 1.792 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.560 -0.067 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.498 0.288 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.129 1.698 7.397 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.124 2.316 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.664 3.610 6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.652 4.224 3.210 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.924 4.880 4.837 1.00 0.00 H new ATOM 618 N PRO A 38 -10.509 -0.013 7.081 1.00 0.00 N ATOM 619 CA PRO A 38 -11.420 -1.141 7.319 1.00 0.00 C ATOM 620 C PRO A 38 -11.186 -2.300 6.359 1.00 0.00 C ATOM 621 O PRO A 38 -10.844 -2.107 5.191 1.00 0.00 O ATOM 622 CB PRO A 38 -12.805 -0.540 7.090 1.00 0.00 C ATOM 623 CG PRO A 38 -12.631 0.908 7.369 1.00 0.00 C ATOM 624 CD PRO A 38 -11.254 1.245 6.865 1.00 0.00 C ATOM 0 HA PRO A 38 -11.279 -1.564 8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.148 -0.709 6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.546 -0.986 7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.392 1.501 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.722 1.117 8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.267 1.532 5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.814 2.076 7.416 1.00 0.00 H new ATOM 632 N GLU A 39 -11.383 -3.500 6.864 1.00 0.00 N ATOM 633 CA GLU A 39 -11.145 -4.707 6.100 1.00 0.00 C ATOM 634 C GLU A 39 -12.404 -5.122 5.341 1.00 0.00 C ATOM 635 O GLU A 39 -13.137 -6.018 5.762 1.00 0.00 O ATOM 636 CB GLU A 39 -10.675 -5.819 7.037 1.00 0.00 C ATOM 637 CG GLU A 39 -10.135 -7.047 6.327 1.00 0.00 C ATOM 638 CD GLU A 39 -9.663 -8.116 7.290 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.400 -9.102 7.494 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.552 -7.979 7.842 1.00 0.00 O ATOM 0 H GLU A 39 -11.712 -3.666 7.815 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.365 -4.517 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.900 -5.422 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.508 -6.118 7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.911 -7.460 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.307 -6.754 5.681 1.00 0.00 H new ATOM 647 N ASP A 40 -12.653 -4.444 4.228 1.00 0.00 N ATOM 648 CA ASP A 40 -13.780 -4.762 3.355 1.00 0.00 C ATOM 649 C ASP A 40 -13.495 -4.284 1.933 1.00 0.00 C ATOM 650 O ASP A 40 -12.544 -3.529 1.714 1.00 0.00 O ATOM 651 CB ASP A 40 -15.099 -4.162 3.879 1.00 0.00 C ATOM 652 CG ASP A 40 -15.206 -2.656 3.712 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.503 -2.199 2.587 1.00 0.00 O ATOM 654 OD2 ASP A 40 -15.047 -1.929 4.718 1.00 0.00 O ATOM 0 H ASP A 40 -12.084 -3.662 3.905 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.900 -5.845 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.932 -4.634 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.203 -4.408 4.936 1.00 0.00 H new ATOM 659 N ASP A 41 -14.323 -4.725 0.986 1.00 0.00 N ATOM 660 CA ASP A 41 -14.081 -4.513 -0.453 1.00 0.00 C ATOM 661 C ASP A 41 -13.763 -3.059 -0.796 1.00 0.00 C ATOM 662 O ASP A 41 -12.813 -2.790 -1.538 1.00 0.00 O ATOM 663 CB ASP A 41 -15.290 -4.962 -1.283 1.00 0.00 C ATOM 664 CG ASP A 41 -15.615 -6.430 -1.111 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.544 -6.752 -0.347 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.944 -7.273 -1.745 1.00 0.00 O ATOM 0 H ASP A 41 -15.181 -5.239 1.188 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.208 -5.118 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.159 -4.368 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.096 -4.760 -2.336 1.00 0.00 H new ATOM 671 N THR A 42 -14.551 -2.134 -0.259 1.00 0.00 N ATOM 672 CA THR A 42 -14.424 -0.715 -0.583 1.00 0.00 C ATOM 673 C THR A 42 -12.992 -0.219 -0.385 1.00 0.00 C ATOM 674 O THR A 42 -12.365 0.304 -1.312 1.00 0.00 O ATOM 675 CB THR A 42 -15.363 0.122 0.299 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.493 -0.665 0.688 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.838 1.362 -0.440 1.00 0.00 C ATOM 0 H THR A 42 -15.292 -2.343 0.410 1.00 0.00 H new ATOM 0 HA THR A 42 -14.695 -0.599 -1.632 1.00 0.00 H new ATOM 0 HB THR A 42 -14.811 0.435 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.346 -1.027 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.501 1.938 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.978 1.973 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.375 1.065 -1.341 1.00 0.00 H new ATOM 685 N THR A 43 -12.483 -0.403 0.824 1.00 0.00 N ATOM 686 CA THR A 43 -11.134 0.014 1.171 1.00 0.00 C ATOM 687 C THR A 43 -10.092 -0.726 0.335 1.00 0.00 C ATOM 688 O THR A 43 -9.058 -0.166 -0.033 1.00 0.00 O ATOM 689 CB THR A 43 -10.860 -0.249 2.660 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.908 0.319 3.458 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.524 0.343 3.082 1.00 0.00 C ATOM 0 H THR A 43 -12.992 -0.844 1.590 1.00 0.00 H new ATOM 0 HA THR A 43 -11.058 1.081 0.964 1.00 0.00 H new ATOM 0 HB THR A 43 -10.826 -1.328 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.347 1.039 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.355 0.142 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.724 -0.109 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.534 1.420 2.914 1.00 0.00 H new ATOM 699 N MET A 44 -10.381 -1.982 0.021 1.00 0.00 N ATOM 700 CA MET A 44 -9.436 -2.834 -0.686 1.00 0.00 C ATOM 701 C MET A 44 -9.177 -2.321 -2.099 1.00 0.00 C ATOM 702 O MET A 44 -8.027 -2.180 -2.515 1.00 0.00 O ATOM 703 CB MET A 44 -9.947 -4.272 -0.731 1.00 0.00 C ATOM 704 CG MET A 44 -10.117 -4.888 0.646 1.00 0.00 C ATOM 705 SD MET A 44 -10.685 -6.594 0.592 1.00 0.00 S ATOM 706 CE MET A 44 -10.809 -6.935 2.345 1.00 0.00 C ATOM 0 H MET A 44 -11.267 -2.434 0.246 1.00 0.00 H new ATOM 0 HA MET A 44 -8.492 -2.811 -0.141 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.904 -4.295 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.253 -4.880 -1.311 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.166 -4.845 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.828 -4.293 1.218 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.552 -7.978 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.122 -6.288 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.829 -6.747 2.681 1.00 0.00 H new ATOM 716 N CYS A 45 -10.244 -2.034 -2.833 1.00 0.00 N ATOM 717 CA CYS A 45 -10.106 -1.523 -4.191 1.00 0.00 C ATOM 718 C CYS A 45 -9.538 -0.107 -4.183 1.00 0.00 C ATOM 719 O CYS A 45 -8.849 0.299 -5.122 1.00 0.00 O ATOM 720 CB CYS A 45 -11.441 -1.568 -4.939 1.00 0.00 C ATOM 721 SG CYS A 45 -12.057 -3.259 -5.240 1.00 0.00 S ATOM 0 H CYS A 45 -11.207 -2.145 -2.515 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.405 -2.169 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.187 -1.016 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.329 -1.056 -5.895 1.00 0.00 H new ATOM 726 N TYR A 46 -9.815 0.636 -3.114 1.00 0.00 N ATOM 727 CA TYR A 46 -9.259 1.969 -2.944 1.00 0.00 C ATOM 728 C TYR A 46 -7.737 1.910 -2.907 1.00 0.00 C ATOM 729 O TYR A 46 -7.060 2.620 -3.652 1.00 0.00 O ATOM 730 CB TYR A 46 -9.807 2.601 -1.662 1.00 0.00 C ATOM 731 CG TYR A 46 -9.003 3.784 -1.167 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.286 3.709 0.023 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.957 4.974 -1.885 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.551 4.784 0.484 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.221 6.051 -1.429 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.523 5.952 -0.245 1.00 0.00 C ATOM 737 OH TYR A 46 -6.798 7.027 0.208 1.00 0.00 O ATOM 0 H TYR A 46 -10.423 0.333 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.554 2.587 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.834 2.921 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.838 1.843 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.304 2.794 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.504 5.058 -2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.002 4.709 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.193 6.968 -1.999 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.467 6.841 1.111 1.00 0.00 H new ATOM 747 N ILE A 47 -7.212 1.043 -2.048 1.00 0.00 N ATOM 748 CA ILE A 47 -5.775 0.858 -1.922 1.00 0.00 C ATOM 749 C ILE A 47 -5.176 0.395 -3.247 1.00 0.00 C ATOM 750 O ILE A 47 -4.099 0.838 -3.640 1.00 0.00 O ATOM 751 CB ILE A 47 -5.437 -0.159 -0.811 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.843 0.394 0.567 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.956 -0.520 -0.839 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.182 1.710 0.928 1.00 0.00 C ATOM 0 H ILE A 47 -7.766 0.455 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.341 1.820 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.007 -1.070 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.925 0.526 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.596 -0.345 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.741 -1.238 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.707 -0.960 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.359 0.379 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.522 2.030 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.100 1.582 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.449 2.466 0.189 1.00 0.00 H new ATOM 766 N LYS A 48 -5.902 -0.479 -3.934 1.00 0.00 N ATOM 767 CA LYS A 48 -5.476 -1.001 -5.222 1.00 0.00 C ATOM 768 C LYS A 48 -5.224 0.138 -6.206 1.00 0.00 C ATOM 769 O LYS A 48 -4.138 0.257 -6.772 1.00 0.00 O ATOM 770 CB LYS A 48 -6.553 -1.925 -5.784 1.00 0.00 C ATOM 771 CG LYS A 48 -6.148 -2.628 -7.065 1.00 0.00 C ATOM 772 CD LYS A 48 -7.368 -3.073 -7.852 1.00 0.00 C ATOM 773 CE LYS A 48 -6.986 -3.645 -9.204 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.311 -2.645 -10.071 1.00 0.00 N ATOM 0 H LYS A 48 -6.799 -0.843 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.549 -1.557 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.804 -2.674 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.457 -1.344 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.542 -1.958 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.528 -3.493 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.915 -3.823 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.040 -2.226 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.327 -4.501 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.881 -4.012 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.085 -3.078 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.941 -1.831 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.433 -2.325 -9.614 1.00 0.00 H new ATOM 788 N CYS A 49 -6.243 0.970 -6.393 1.00 0.00 N ATOM 789 CA CYS A 49 -6.170 2.097 -7.315 1.00 0.00 C ATOM 790 C CYS A 49 -5.020 3.045 -6.960 1.00 0.00 C ATOM 791 O CYS A 49 -4.240 3.439 -7.828 1.00 0.00 O ATOM 792 CB CYS A 49 -7.508 2.846 -7.321 1.00 0.00 C ATOM 793 SG CYS A 49 -7.482 4.441 -8.207 1.00 0.00 S ATOM 0 H CYS A 49 -7.138 0.883 -5.912 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.970 1.709 -8.314 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.265 2.206 -7.774 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.815 3.023 -6.290 1.00 0.00 H new ATOM 798 N VAL A 50 -4.906 3.386 -5.678 1.00 0.00 N ATOM 799 CA VAL A 50 -3.895 4.327 -5.218 1.00 0.00 C ATOM 800 C VAL A 50 -2.488 3.790 -5.451 1.00 0.00 C ATOM 801 O VAL A 50 -1.612 4.491 -5.965 1.00 0.00 O ATOM 802 CB VAL A 50 -4.082 4.642 -3.722 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.938 5.486 -3.194 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.402 5.345 -3.496 1.00 0.00 C ATOM 0 H VAL A 50 -5.506 3.021 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.019 5.242 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.086 3.699 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.097 5.693 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.999 4.947 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.895 6.426 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.522 5.562 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.419 6.277 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.218 4.703 -3.829 1.00 0.00 H new ATOM 814 N PHE A 51 -2.289 2.532 -5.092 1.00 0.00 N ATOM 815 CA PHE A 51 -0.989 1.890 -5.202 1.00 0.00 C ATOM 816 C PHE A 51 -0.591 1.712 -6.662 1.00 0.00 C ATOM 817 O PHE A 51 0.590 1.644 -6.996 1.00 0.00 O ATOM 818 CB PHE A 51 -1.017 0.540 -4.478 1.00 0.00 C ATOM 819 CG PHE A 51 -0.665 0.620 -3.019 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.984 1.742 -2.270 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.024 -0.437 -2.395 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.669 1.808 -0.926 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.294 -0.375 -1.053 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.030 0.747 -0.318 1.00 0.00 C ATOM 0 H PHE A 51 -3.021 1.929 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.242 2.529 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.012 0.107 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.323 -0.140 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.485 2.574 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.230 -1.319 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.922 2.688 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.796 -1.205 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.216 0.795 0.732 1.00 0.00 H new ATOM 834 N ASN A 52 -1.588 1.655 -7.529 1.00 0.00 N ATOM 835 CA ASN A 52 -1.351 1.492 -8.955 1.00 0.00 C ATOM 836 C ASN A 52 -0.976 2.829 -9.585 1.00 0.00 C ATOM 837 O ASN A 52 -0.069 2.907 -10.411 1.00 0.00 O ATOM 838 CB ASN A 52 -2.598 0.912 -9.627 1.00 0.00 C ATOM 839 CG ASN A 52 -2.410 0.641 -11.112 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.357 0.752 -11.889 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.205 0.261 -11.513 1.00 0.00 N ATOM 0 H ASN A 52 -2.572 1.719 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.521 0.800 -9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.873 -0.017 -9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.429 1.604 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.038 0.049 -12.497 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.445 0.181 -10.838 1.00 0.00 H new ATOM 848 N LYS A 53 -1.659 3.885 -9.160 1.00 0.00 N ATOM 849 CA LYS A 53 -1.409 5.227 -9.676 1.00 0.00 C ATOM 850 C LYS A 53 -0.026 5.731 -9.277 1.00 0.00 C ATOM 851 O LYS A 53 0.571 6.548 -9.979 1.00 0.00 O ATOM 852 CB LYS A 53 -2.474 6.198 -9.164 1.00 0.00 C ATOM 853 CG LYS A 53 -3.766 6.206 -9.975 1.00 0.00 C ATOM 854 CD LYS A 53 -4.841 7.038 -9.290 1.00 0.00 C ATOM 855 CE LYS A 53 -6.062 7.222 -10.176 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.807 8.187 -11.278 1.00 0.00 N ATOM 0 H LYS A 53 -2.395 3.838 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.454 5.175 -10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.710 5.946 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.057 7.205 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.571 6.606 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.122 5.184 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.137 6.554 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.433 8.014 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.354 6.260 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.899 7.573 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.712 8.556 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.227 8.974 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.303 7.707 -12.050 1.00 0.00 H new ATOM 870 N MET A 54 0.480 5.253 -8.147 1.00 0.00 N ATOM 871 CA MET A 54 1.803 5.652 -7.682 1.00 0.00 C ATOM 872 C MET A 54 2.892 4.719 -8.201 1.00 0.00 C ATOM 873 O MET A 54 4.048 4.815 -7.793 1.00 0.00 O ATOM 874 CB MET A 54 1.842 5.700 -6.156 1.00 0.00 C ATOM 875 CG MET A 54 1.186 6.940 -5.580 1.00 0.00 C ATOM 876 SD MET A 54 1.465 7.119 -3.810 1.00 0.00 S ATOM 877 CE MET A 54 0.879 5.538 -3.220 1.00 0.00 C ATOM 0 H MET A 54 -0.002 4.592 -7.538 1.00 0.00 H new ATOM 0 HA MET A 54 1.999 6.648 -8.079 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.344 4.816 -5.758 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.879 5.658 -5.824 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.570 7.821 -6.095 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.114 6.901 -5.772 1.00 0.00 H new ATOM 0 HE1 MET A 54 0.387 5.669 -2.256 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.170 5.123 -3.936 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.722 4.856 -3.108 1.00 0.00 H new ATOM 887 N GLN A 55 2.502 3.824 -9.113 1.00 0.00 N ATOM 888 CA GLN A 55 3.406 2.836 -9.691 1.00 0.00 C ATOM 889 C GLN A 55 4.133 2.036 -8.615 1.00 0.00 C ATOM 890 O GLN A 55 5.348 1.847 -8.669 1.00 0.00 O ATOM 891 CB GLN A 55 4.397 3.500 -10.641 1.00 0.00 C ATOM 892 CG GLN A 55 3.836 3.699 -12.033 1.00 0.00 C ATOM 893 CD GLN A 55 3.366 2.401 -12.661 1.00 0.00 C ATOM 894 OE1 GLN A 55 2.203 2.023 -12.539 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.271 1.702 -13.324 1.00 0.00 N ATOM 0 H GLN A 55 1.548 3.767 -9.469 1.00 0.00 H new ATOM 0 HA GLN A 55 2.800 2.133 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.693 4.466 -10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.299 2.890 -10.702 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.002 4.400 -11.988 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.599 4.151 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.227 2.050 -13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.014 0.815 -13.757 1.00 0.00 H new ATOM 904 N LEU A 56 3.373 1.567 -7.640 1.00 0.00 N ATOM 905 CA LEU A 56 3.928 0.815 -6.527 1.00 0.00 C ATOM 906 C LEU A 56 3.347 -0.597 -6.497 1.00 0.00 C ATOM 907 O LEU A 56 3.868 -1.494 -5.830 1.00 0.00 O ATOM 908 CB LEU A 56 3.647 1.564 -5.214 1.00 0.00 C ATOM 909 CG LEU A 56 4.802 2.438 -4.710 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.389 3.216 -3.468 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.029 1.594 -4.413 1.00 0.00 C ATOM 0 H LEU A 56 2.362 1.695 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 56 5.007 0.724 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.768 2.193 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.399 0.835 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 56 5.052 3.148 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.224 3.829 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.541 3.858 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.106 2.519 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.835 2.236 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.787 0.857 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.347 1.082 -5.321 1.00 0.00 H new ATOM 923 N PHE A 57 2.266 -0.781 -7.244 1.00 0.00 N ATOM 924 CA PHE A 57 1.606 -2.070 -7.363 1.00 0.00 C ATOM 925 C PHE A 57 1.123 -2.260 -8.796 1.00 0.00 C ATOM 926 O PHE A 57 0.632 -1.320 -9.427 1.00 0.00 O ATOM 927 CB PHE A 57 0.425 -2.171 -6.380 1.00 0.00 C ATOM 928 CG PHE A 57 -0.440 -3.388 -6.572 1.00 0.00 C ATOM 929 CD1 PHE A 57 -0.086 -4.605 -6.013 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.612 -3.311 -7.313 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.883 -5.721 -6.188 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.411 -4.424 -7.491 1.00 0.00 C ATOM 933 CZ PHE A 57 -2.046 -5.629 -6.927 1.00 0.00 C ATOM 0 H PHE A 57 1.823 -0.038 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 57 2.317 -2.857 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.814 -2.174 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.194 -1.280 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.822 -4.683 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.902 -2.370 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.596 -6.664 -5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.319 -4.351 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.670 -6.500 -7.063 1.00 0.00 H new ATOM 943 N ASP A 58 1.280 -3.470 -9.299 1.00 0.00 N ATOM 944 CA ASP A 58 0.869 -3.809 -10.652 1.00 0.00 C ATOM 945 C ASP A 58 -0.118 -4.973 -10.616 1.00 0.00 C ATOM 946 O ASP A 58 0.013 -5.879 -9.798 1.00 0.00 O ATOM 947 CB ASP A 58 2.102 -4.170 -11.492 1.00 0.00 C ATOM 948 CG ASP A 58 1.751 -4.614 -12.894 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.574 -3.746 -13.770 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.654 -5.834 -13.133 1.00 0.00 O ATOM 0 H ASP A 58 1.695 -4.246 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 58 0.376 -2.951 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.764 -3.306 -11.545 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.655 -4.965 -10.992 1.00 0.00 H new ATOM 955 N ASP A 59 -1.111 -4.930 -11.502 1.00 0.00 N ATOM 956 CA ASP A 59 -2.187 -5.931 -11.527 1.00 0.00 C ATOM 957 C ASP A 59 -1.674 -7.322 -11.881 1.00 0.00 C ATOM 958 O ASP A 59 -2.357 -8.323 -11.649 1.00 0.00 O ATOM 959 CB ASP A 59 -3.271 -5.537 -12.531 1.00 0.00 C ATOM 960 CG ASP A 59 -4.140 -4.395 -12.050 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.177 -4.664 -11.414 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.804 -3.225 -12.319 1.00 0.00 O ATOM 0 H ASP A 59 -1.197 -4.209 -12.219 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.603 -5.961 -10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.800 -5.255 -13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.900 -6.403 -12.736 1.00 0.00 H new ATOM 967 N THR A 60 -0.489 -7.379 -12.462 1.00 0.00 N ATOM 968 CA THR A 60 0.107 -8.640 -12.863 1.00 0.00 C ATOM 969 C THR A 60 1.258 -9.046 -11.936 1.00 0.00 C ATOM 970 O THR A 60 1.197 -10.085 -11.278 1.00 0.00 O ATOM 971 CB THR A 60 0.608 -8.548 -14.314 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.512 -8.443 -15.206 1.00 0.00 O ATOM 973 CG2 THR A 60 1.464 -9.747 -14.683 1.00 0.00 C ATOM 0 H THR A 60 0.083 -6.560 -12.668 1.00 0.00 H new ATOM 0 HA THR A 60 -0.663 -9.408 -12.791 1.00 0.00 H new ATOM 0 HB THR A 60 1.230 -7.658 -14.405 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.190 -8.383 -16.130 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.801 -9.650 -15.715 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.329 -9.794 -14.021 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.877 -10.659 -14.578 1.00 0.00 H new ATOM 981 N GLU A 61 2.306 -8.228 -11.886 1.00 0.00 N ATOM 982 CA GLU A 61 3.489 -8.544 -11.095 1.00 0.00 C ATOM 983 C GLU A 61 3.244 -8.340 -9.601 1.00 0.00 C ATOM 984 O GLU A 61 4.039 -8.787 -8.769 1.00 0.00 O ATOM 985 CB GLU A 61 4.674 -7.689 -11.533 1.00 0.00 C ATOM 986 CG GLU A 61 4.821 -7.567 -13.037 1.00 0.00 C ATOM 987 CD GLU A 61 6.096 -6.853 -13.433 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.184 -7.446 -13.273 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.022 -5.700 -13.905 1.00 0.00 O ATOM 0 H GLU A 61 2.359 -7.340 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 61 3.714 -9.597 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.567 -6.692 -11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.589 -8.116 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.811 -8.562 -13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.964 -7.028 -13.441 1.00 0.00 H new ATOM 996 N GLY A 62 2.151 -7.678 -9.259 1.00 0.00 N ATOM 997 CA GLY A 62 1.862 -7.410 -7.867 1.00 0.00 C ATOM 998 C GLY A 62 2.696 -6.276 -7.313 1.00 0.00 C ATOM 999 O GLY A 62 3.005 -5.325 -8.029 1.00 0.00 O ATOM 0 H GLY A 62 1.460 -7.322 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.805 -7.167 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.044 -8.311 -7.281 1.00 0.00 H new ATOM 1003 N PRO A 63 3.063 -6.353 -6.029 1.00 0.00 N ATOM 1004 CA PRO A 63 3.905 -5.345 -5.381 1.00 0.00 C ATOM 1005 C PRO A 63 5.243 -5.173 -6.096 1.00 0.00 C ATOM 1006 O PRO A 63 5.983 -6.142 -6.299 1.00 0.00 O ATOM 1007 CB PRO A 63 4.122 -5.900 -3.967 1.00 0.00 C ATOM 1008 CG PRO A 63 3.015 -6.877 -3.753 1.00 0.00 C ATOM 1009 CD PRO A 63 2.678 -7.433 -5.109 1.00 0.00 C ATOM 0 HA PRO A 63 3.439 -4.360 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.095 -6.383 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.093 -5.104 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.323 -7.671 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.148 -6.391 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.229 -8.351 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.618 -7.672 -5.192 1.00 0.00 H new ATOM 1017 N LEU A 64 5.539 -3.944 -6.488 1.00 0.00 N ATOM 1018 CA LEU A 64 6.782 -3.640 -7.184 1.00 0.00 C ATOM 1019 C LEU A 64 7.881 -3.374 -6.172 1.00 0.00 C ATOM 1020 O LEU A 64 8.072 -2.246 -5.723 1.00 0.00 O ATOM 1021 CB LEU A 64 6.601 -2.440 -8.114 1.00 0.00 C ATOM 1022 CG LEU A 64 5.403 -2.553 -9.057 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.275 -1.313 -9.928 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.537 -3.797 -9.914 1.00 0.00 C ATOM 0 H LEU A 64 4.934 -3.137 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 64 7.064 -4.497 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.490 -1.540 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.506 -2.315 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 64 4.496 -2.632 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.415 -1.420 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.139 -0.436 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.179 -1.193 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.680 -3.872 -10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.453 -3.737 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.574 -4.678 -9.273 1.00 0.00 H new ATOM 1036 N VAL A 65 8.592 -4.442 -5.832 1.00 0.00 N ATOM 1037 CA VAL A 65 9.574 -4.440 -4.754 1.00 0.00 C ATOM 1038 C VAL A 65 10.582 -3.300 -4.863 1.00 0.00 C ATOM 1039 O VAL A 65 10.865 -2.635 -3.872 1.00 0.00 O ATOM 1040 CB VAL A 65 10.326 -5.780 -4.699 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.433 -5.743 -3.656 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.358 -6.914 -4.413 1.00 0.00 C ATOM 0 H VAL A 65 8.502 -5.343 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 65 9.009 -4.291 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 65 10.789 -5.953 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.948 -6.703 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.143 -4.955 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.002 -5.544 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.903 -7.857 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.868 -6.741 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.607 -6.959 -5.202 1.00 0.00 H new ATOM 1052 N ASP A 66 11.122 -3.071 -6.054 1.00 0.00 N ATOM 1053 CA ASP A 66 12.144 -2.043 -6.229 1.00 0.00 C ATOM 1054 C ASP A 66 11.607 -0.663 -5.862 1.00 0.00 C ATOM 1055 O ASP A 66 12.168 0.017 -5.003 1.00 0.00 O ATOM 1056 CB ASP A 66 12.672 -2.035 -7.657 1.00 0.00 C ATOM 1057 CG ASP A 66 13.744 -0.978 -7.870 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.440 0.076 -8.466 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.895 -1.195 -7.436 1.00 0.00 O ATOM 0 H ASP A 66 10.874 -3.576 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 66 12.967 -2.283 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.080 -3.017 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.847 -1.856 -8.346 1.00 0.00 H new ATOM 1064 N ASN A 67 10.507 -0.261 -6.493 1.00 0.00 N ATOM 1065 CA ASN A 67 9.890 1.032 -6.200 1.00 0.00 C ATOM 1066 C ASN A 67 9.476 1.102 -4.735 1.00 0.00 C ATOM 1067 O ASN A 67 9.536 2.159 -4.110 1.00 0.00 O ATOM 1068 CB ASN A 67 8.678 1.284 -7.101 1.00 0.00 C ATOM 1069 CG ASN A 67 9.062 1.613 -8.533 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.113 1.197 -9.022 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.210 2.358 -9.218 1.00 0.00 N ATOM 0 H ASN A 67 10.026 -0.808 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 67 10.629 1.808 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.038 0.401 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.091 2.105 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.414 2.607 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.349 2.684 -8.778 1.00 0.00 H new ATOM 1078 N LEU A 68 9.076 -0.042 -4.197 1.00 0.00 N ATOM 1079 CA LEU A 68 8.684 -0.151 -2.797 1.00 0.00 C ATOM 1080 C LEU A 68 9.841 0.194 -1.870 1.00 0.00 C ATOM 1081 O LEU A 68 9.683 0.966 -0.930 1.00 0.00 O ATOM 1082 CB LEU A 68 8.162 -1.557 -2.506 1.00 0.00 C ATOM 1083 CG LEU A 68 6.697 -1.775 -2.876 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.365 -3.254 -2.902 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.796 -1.053 -1.892 1.00 0.00 C ATOM 0 H LEU A 68 9.014 -0.918 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 68 7.886 0.568 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.773 -2.278 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.291 -1.767 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 68 6.530 -1.368 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.316 -3.387 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.992 -3.755 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.547 -3.685 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.754 -1.216 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.972 -1.438 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.015 0.015 -1.914 1.00 0.00 H new ATOM 1097 N VAL A 69 11.003 -0.371 -2.146 1.00 0.00 N ATOM 1098 CA VAL A 69 12.197 -0.103 -1.360 1.00 0.00 C ATOM 1099 C VAL A 69 12.679 1.325 -1.575 1.00 0.00 C ATOM 1100 O VAL A 69 13.013 2.020 -0.624 1.00 0.00 O ATOM 1101 CB VAL A 69 13.320 -1.082 -1.719 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.570 -0.783 -0.912 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.868 -2.509 -1.489 1.00 0.00 C ATOM 0 H VAL A 69 11.147 -1.025 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 69 11.935 -0.235 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 69 13.559 -0.960 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.355 -1.489 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.906 0.232 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.348 -0.876 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.676 -3.193 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.603 -2.642 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.999 -2.721 -2.113 1.00 0.00 H new ATOM 1113 N HIS A 70 12.679 1.768 -2.824 1.00 0.00 N ATOM 1114 CA HIS A 70 13.156 3.110 -3.156 1.00 0.00 C ATOM 1115 C HIS A 70 12.300 4.177 -2.477 1.00 0.00 C ATOM 1116 O HIS A 70 12.762 5.286 -2.212 1.00 0.00 O ATOM 1117 CB HIS A 70 13.165 3.332 -4.673 1.00 0.00 C ATOM 1118 CG HIS A 70 14.321 2.689 -5.385 1.00 0.00 C ATOM 1119 ND1 HIS A 70 15.266 3.408 -6.081 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.669 1.389 -5.533 1.00 0.00 C ATOM 1121 CE1 HIS A 70 16.138 2.580 -6.626 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.798 1.348 -6.310 1.00 0.00 N ATOM 0 H HIS A 70 12.356 1.223 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 70 14.178 3.196 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.236 2.945 -5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.182 4.404 -4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.151 0.538 -5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.987 2.865 -7.229 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.293 0.503 -6.596 1.00 0.00 H new ATOM 1131 N GLN A 71 11.049 3.834 -2.203 1.00 0.00 N ATOM 1132 CA GLN A 71 10.138 4.749 -1.530 1.00 0.00 C ATOM 1133 C GLN A 71 10.200 4.584 -0.014 1.00 0.00 C ATOM 1134 O GLN A 71 10.538 5.522 0.708 1.00 0.00 O ATOM 1135 CB GLN A 71 8.703 4.520 -2.013 1.00 0.00 C ATOM 1136 CG GLN A 71 7.681 5.461 -1.390 1.00 0.00 C ATOM 1137 CD GLN A 71 7.962 6.933 -1.648 1.00 0.00 C ATOM 1138 OE1 GLN A 71 9.112 7.357 -1.765 1.00 0.00 O ATOM 1139 NE2 GLN A 71 6.907 7.724 -1.735 1.00 0.00 N ATOM 0 H GLN A 71 10.642 2.928 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 71 10.448 5.764 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.673 4.634 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.416 3.492 -1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.692 5.216 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.652 5.290 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.969 7.336 -1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.031 8.722 -1.904 1.00 0.00 H new ATOM 1148 N LEU A 72 9.873 3.386 0.456 1.00 0.00 N ATOM 1149 CA LEU A 72 9.778 3.115 1.888 1.00 0.00 C ATOM 1150 C LEU A 72 11.106 3.337 2.605 1.00 0.00 C ATOM 1151 O LEU A 72 11.138 3.930 3.680 1.00 0.00 O ATOM 1152 CB LEU A 72 9.281 1.692 2.143 1.00 0.00 C ATOM 1153 CG LEU A 72 7.818 1.432 1.774 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.491 -0.045 1.927 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.880 2.267 2.637 1.00 0.00 C ATOM 0 H LEU A 72 9.668 2.582 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 72 9.056 3.824 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.908 1.000 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.418 1.461 3.199 1.00 0.00 H new ATOM 0 HG LEU A 72 7.675 1.723 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.448 -0.216 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.134 -0.630 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.657 -0.349 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.847 2.063 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.026 2.011 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.095 3.325 2.489 1.00 0.00 H new ATOM 1167 N ALA A 73 12.199 2.881 2.003 1.00 0.00 N ATOM 1168 CA ALA A 73 13.527 3.017 2.598 1.00 0.00 C ATOM 1169 C ALA A 73 14.054 4.452 2.512 1.00 0.00 C ATOM 1170 O ALA A 73 15.254 4.675 2.342 1.00 0.00 O ATOM 1171 CB ALA A 73 14.490 2.051 1.937 1.00 0.00 C ATOM 0 H ALA A 73 12.193 2.411 1.098 1.00 0.00 H new ATOM 0 HA ALA A 73 13.444 2.773 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.478 2.158 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.136 1.030 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.550 2.269 0.871 1.00 0.00 H new ATOM 1177 N HIS A 74 13.144 5.412 2.618 1.00 0.00 N ATOM 1178 CA HIS A 74 13.475 6.829 2.574 1.00 0.00 C ATOM 1179 C HIS A 74 14.355 7.201 3.768 1.00 0.00 C ATOM 1180 O HIS A 74 13.851 7.571 4.831 1.00 0.00 O ATOM 1181 CB HIS A 74 12.183 7.651 2.597 1.00 0.00 C ATOM 1182 CG HIS A 74 12.327 9.062 2.115 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.454 9.636 1.217 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.225 10.024 2.427 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.809 10.884 0.996 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.881 11.150 1.719 1.00 0.00 N ATOM 0 H HIS A 74 12.148 5.227 2.738 1.00 0.00 H new ATOM 0 HA HIS A 74 14.025 7.044 1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.437 7.147 1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.798 7.668 3.617 1.00 0.00 H new ATOM 0 HD1 HIS A 74 10.656 9.166 0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.058 9.925 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.307 11.575 0.334 1.00 0.00 H new ATOM 1195 N GLY A 75 15.663 7.078 3.595 1.00 0.00 N ATOM 1196 CA GLY A 75 16.587 7.407 4.660 1.00 0.00 C ATOM 1197 C GLY A 75 16.777 6.260 5.627 1.00 0.00 C ATOM 1198 O GLY A 75 17.091 6.473 6.798 1.00 0.00 O ATOM 0 H GLY A 75 16.102 6.755 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.551 7.681 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.219 8.279 5.201 1.00 0.00 H new ATOM 1202 N ARG A 76 16.590 5.038 5.142 1.00 0.00 N ATOM 1203 CA ARG A 76 16.707 3.855 5.985 1.00 0.00 C ATOM 1204 C ARG A 76 17.319 2.690 5.216 1.00 0.00 C ATOM 1205 O ARG A 76 17.501 2.772 4.001 1.00 0.00 O ATOM 1206 CB ARG A 76 15.340 3.475 6.560 1.00 0.00 C ATOM 1207 CG ARG A 76 15.043 4.152 7.889 1.00 0.00 C ATOM 1208 CD ARG A 76 13.795 3.591 8.537 1.00 0.00 C ATOM 1209 NE ARG A 76 13.498 4.244 9.809 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.606 3.797 10.690 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.953 2.661 10.466 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.379 4.481 11.804 1.00 0.00 N ATOM 0 H ARG A 76 16.357 4.841 4.169 1.00 0.00 H new ATOM 0 HA ARG A 76 17.376 4.090 6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.564 3.741 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.296 2.394 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.891 4.023 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.921 5.224 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.949 3.713 7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.921 2.521 8.700 1.00 0.00 H new ATOM 0 HE ARG A 76 14.007 5.098 10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.135 2.128 9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.270 2.323 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.887 5.347 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.696 4.141 12.481 1.00 0.00 H new ATOM 1226 N ASP A 77 17.654 1.622 5.939 1.00 0.00 N ATOM 1227 CA ASP A 77 18.269 0.432 5.353 1.00 0.00 C ATOM 1228 C ASP A 77 17.378 -0.201 4.295 1.00 0.00 C ATOM 1229 O ASP A 77 16.396 -0.875 4.612 1.00 0.00 O ATOM 1230 CB ASP A 77 18.570 -0.602 6.436 1.00 0.00 C ATOM 1231 CG ASP A 77 19.577 -0.120 7.453 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.791 -0.273 7.217 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.160 0.406 8.505 1.00 0.00 O ATOM 0 H ASP A 77 17.507 1.557 6.946 1.00 0.00 H new ATOM 0 HA ASP A 77 19.196 0.752 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.644 -0.864 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.944 -1.512 5.967 1.00 0.00 H new ATOM 1238 N ALA A 78 17.752 0.007 3.042 1.00 0.00 N ATOM 1239 CA ALA A 78 17.023 -0.531 1.901 1.00 0.00 C ATOM 1240 C ALA A 78 16.934 -2.052 1.958 1.00 0.00 C ATOM 1241 O ALA A 78 15.903 -2.632 1.624 1.00 0.00 O ATOM 1242 CB ALA A 78 17.694 -0.091 0.616 1.00 0.00 C ATOM 0 H ALA A 78 18.573 0.556 2.786 1.00 0.00 H new ATOM 0 HA ALA A 78 16.005 -0.142 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.147 -0.494 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.698 0.998 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.720 -0.459 0.597 1.00 0.00 H new ATOM 1248 N GLU A 79 18.016 -2.688 2.393 1.00 0.00 N ATOM 1249 CA GLU A 79 18.060 -4.144 2.495 1.00 0.00 C ATOM 1250 C GLU A 79 16.994 -4.663 3.453 1.00 0.00 C ATOM 1251 O GLU A 79 16.270 -5.614 3.144 1.00 0.00 O ATOM 1252 CB GLU A 79 19.434 -4.615 2.964 1.00 0.00 C ATOM 1253 CG GLU A 79 20.521 -4.486 1.916 1.00 0.00 C ATOM 1254 CD GLU A 79 21.780 -5.220 2.317 1.00 0.00 C ATOM 1255 OE1 GLU A 79 21.834 -6.457 2.140 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.725 -4.570 2.813 1.00 0.00 O ATOM 0 H GLU A 79 18.875 -2.219 2.681 1.00 0.00 H new ATOM 0 HA GLU A 79 17.864 -4.544 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.722 -4.041 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.363 -5.658 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.158 -4.879 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.750 -3.432 1.758 1.00 0.00 H new ATOM 1263 N GLU A 80 16.899 -4.031 4.614 1.00 0.00 N ATOM 1264 CA GLU A 80 15.925 -4.422 5.617 1.00 0.00 C ATOM 1265 C GLU A 80 14.517 -4.189 5.092 1.00 0.00 C ATOM 1266 O GLU A 80 13.642 -5.044 5.222 1.00 0.00 O ATOM 1267 CB GLU A 80 16.147 -3.624 6.895 1.00 0.00 C ATOM 1268 CG GLU A 80 17.537 -3.795 7.481 1.00 0.00 C ATOM 1269 CD GLU A 80 17.828 -5.221 7.890 1.00 0.00 C ATOM 1270 OE1 GLU A 80 18.430 -5.968 7.088 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.457 -5.604 9.018 1.00 0.00 O ATOM 0 H GLU A 80 17.488 -3.243 4.883 1.00 0.00 H new ATOM 0 HA GLU A 80 16.047 -5.482 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.976 -2.568 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.408 -3.928 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.277 -3.473 6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.643 -3.144 8.349 1.00 0.00 H new ATOM 1278 N VAL A 81 14.321 -3.026 4.480 1.00 0.00 N ATOM 1279 CA VAL A 81 13.043 -2.662 3.889 1.00 0.00 C ATOM 1280 C VAL A 81 12.613 -3.681 2.836 1.00 0.00 C ATOM 1281 O VAL A 81 11.481 -4.159 2.858 1.00 0.00 O ATOM 1282 CB VAL A 81 13.120 -1.253 3.277 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.861 -0.912 2.502 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.356 -0.239 4.374 1.00 0.00 C ATOM 0 H VAL A 81 15.043 -2.312 4.381 1.00 0.00 H new ATOM 0 HA VAL A 81 12.292 -2.660 4.679 1.00 0.00 H new ATOM 0 HB VAL A 81 13.952 -1.229 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.951 0.091 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.725 -1.631 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.001 -0.950 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.411 0.760 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.535 -0.280 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.293 -0.465 4.883 1.00 0.00 H new ATOM 1294 N ARG A 82 13.529 -4.021 1.932 1.00 0.00 N ATOM 1295 CA ARG A 82 13.267 -5.019 0.904 1.00 0.00 C ATOM 1296 C ARG A 82 12.848 -6.346 1.523 1.00 0.00 C ATOM 1297 O ARG A 82 11.881 -6.966 1.086 1.00 0.00 O ATOM 1298 CB ARG A 82 14.512 -5.230 0.048 1.00 0.00 C ATOM 1299 CG ARG A 82 14.240 -6.077 -1.175 1.00 0.00 C ATOM 1300 CD ARG A 82 15.511 -6.370 -1.941 1.00 0.00 C ATOM 1301 NE ARG A 82 15.240 -7.049 -3.208 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.185 -7.559 -3.995 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.465 -7.457 -3.653 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.851 -8.165 -5.126 1.00 0.00 N ATOM 0 H ARG A 82 14.464 -3.616 1.893 1.00 0.00 H new ATOM 0 HA ARG A 82 12.452 -4.652 0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.902 -4.261 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.286 -5.706 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.772 -7.014 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.533 -5.562 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.041 -5.438 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.168 -6.989 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 82 14.269 -7.137 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.725 -6.987 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.187 -7.849 -4.258 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.870 -8.241 -5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.575 -8.556 -5.729 1.00 0.00 H new ATOM 1318 N THR A 83 13.572 -6.754 2.555 1.00 0.00 N ATOM 1319 CA THR A 83 13.327 -8.023 3.217 1.00 0.00 C ATOM 1320 C THR A 83 11.922 -8.066 3.816 1.00 0.00 C ATOM 1321 O THR A 83 11.159 -9.006 3.579 1.00 0.00 O ATOM 1322 CB THR A 83 14.372 -8.247 4.327 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.687 -8.314 3.753 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.087 -9.516 5.115 1.00 0.00 C ATOM 0 H THR A 83 14.342 -6.217 2.954 1.00 0.00 H new ATOM 0 HA THR A 83 13.409 -8.816 2.474 1.00 0.00 H new ATOM 0 HB THR A 83 14.315 -7.404 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.981 -7.413 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.844 -9.641 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.103 -9.443 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.109 -10.374 4.443 1.00 0.00 H new ATOM 1332 N GLU A 84 11.582 -7.036 4.581 1.00 0.00 N ATOM 1333 CA GLU A 84 10.280 -6.963 5.231 1.00 0.00 C ATOM 1334 C GLU A 84 9.146 -6.867 4.208 1.00 0.00 C ATOM 1335 O GLU A 84 8.085 -7.460 4.400 1.00 0.00 O ATOM 1336 CB GLU A 84 10.240 -5.787 6.204 1.00 0.00 C ATOM 1337 CG GLU A 84 11.295 -5.885 7.292 1.00 0.00 C ATOM 1338 CD GLU A 84 11.205 -4.775 8.316 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.477 -4.944 9.314 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.870 -3.737 8.142 1.00 0.00 O ATOM 0 H GLU A 84 12.191 -6.239 4.766 1.00 0.00 H new ATOM 0 HA GLU A 84 10.131 -7.885 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.381 -4.859 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.253 -5.736 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.197 -6.845 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.283 -5.867 6.833 1.00 0.00 H new ATOM 1347 N VAL A 85 9.371 -6.124 3.124 1.00 0.00 N ATOM 1348 CA VAL A 85 8.409 -6.055 2.029 1.00 0.00 C ATOM 1349 C VAL A 85 8.137 -7.445 1.455 1.00 0.00 C ATOM 1350 O VAL A 85 6.986 -7.845 1.293 1.00 0.00 O ATOM 1351 CB VAL A 85 8.910 -5.133 0.896 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.122 -5.367 -0.382 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.816 -3.677 1.317 1.00 0.00 C ATOM 0 H VAL A 85 10.211 -5.563 2.983 1.00 0.00 H new ATOM 0 HA VAL A 85 7.487 -5.643 2.440 1.00 0.00 H new ATOM 0 HB VAL A 85 9.955 -5.373 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.494 -4.706 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.239 -6.404 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.067 -5.159 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.173 -3.040 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.779 -3.430 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.429 -3.514 2.204 1.00 0.00 H new ATOM 1363 N LEU A 86 9.211 -8.176 1.166 1.00 0.00 N ATOM 1364 CA LEU A 86 9.118 -9.496 0.552 1.00 0.00 C ATOM 1365 C LEU A 86 8.315 -10.469 1.412 1.00 0.00 C ATOM 1366 O LEU A 86 7.671 -11.382 0.891 1.00 0.00 O ATOM 1367 CB LEU A 86 10.515 -10.054 0.299 1.00 0.00 C ATOM 1368 CG LEU A 86 11.307 -9.332 -0.785 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.761 -9.763 -0.742 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.707 -9.611 -2.151 1.00 0.00 C ATOM 0 H LEU A 86 10.167 -7.870 1.350 1.00 0.00 H new ATOM 0 HA LEU A 86 8.592 -9.382 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.081 -10.014 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.427 -11.105 0.025 1.00 0.00 H new ATOM 0 HG LEU A 86 11.257 -8.259 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.318 -9.242 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.184 -9.519 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.827 -10.838 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.283 -9.089 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.732 -10.683 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.675 -9.262 -2.173 1.00 0.00 H new ATOM 1382 N LYS A 87 8.342 -10.262 2.725 1.00 0.00 N ATOM 1383 CA LYS A 87 7.577 -11.097 3.651 1.00 0.00 C ATOM 1384 C LYS A 87 6.083 -10.837 3.500 1.00 0.00 C ATOM 1385 O LYS A 87 5.251 -11.647 3.898 1.00 0.00 O ATOM 1386 CB LYS A 87 7.998 -10.832 5.097 1.00 0.00 C ATOM 1387 CG LYS A 87 9.384 -11.343 5.436 1.00 0.00 C ATOM 1388 CD LYS A 87 9.751 -11.027 6.873 1.00 0.00 C ATOM 1389 CE LYS A 87 11.137 -11.539 7.216 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.248 -13.012 7.053 1.00 0.00 N ATOM 0 H LYS A 87 8.885 -9.524 3.174 1.00 0.00 H new ATOM 0 HA LYS A 87 7.784 -12.139 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.961 -9.759 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.276 -11.298 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.426 -12.420 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.115 -10.892 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.710 -9.949 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.019 -11.476 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.872 -11.048 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.378 -11.270 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.711 -13.420 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.298 -13.422 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.813 -13.226 6.206 1.00 0.00 H new ATOM 1404 N CYS A 88 5.761 -9.704 2.904 1.00 0.00 N ATOM 1405 CA CYS A 88 4.379 -9.301 2.710 1.00 0.00 C ATOM 1406 C CYS A 88 3.958 -9.508 1.261 1.00 0.00 C ATOM 1407 O CYS A 88 2.803 -9.284 0.894 1.00 0.00 O ATOM 1408 CB CYS A 88 4.209 -7.840 3.123 1.00 0.00 C ATOM 1409 SG CYS A 88 4.110 -7.600 4.927 1.00 0.00 S ATOM 0 H CYS A 88 6.445 -9.040 2.542 1.00 0.00 H new ATOM 0 HA CYS A 88 3.736 -9.921 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.046 -7.261 2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.305 -7.443 2.662 1.00 0.00 H new ATOM 1414 N VAL A 89 4.910 -9.927 0.433 1.00 0.00 N ATOM 1415 CA VAL A 89 4.637 -10.209 -0.962 1.00 0.00 C ATOM 1416 C VAL A 89 4.188 -11.655 -1.143 1.00 0.00 C ATOM 1417 O VAL A 89 4.987 -12.588 -1.029 1.00 0.00 O ATOM 1418 CB VAL A 89 5.875 -9.951 -1.842 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.572 -10.278 -3.291 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.346 -8.512 -1.715 1.00 0.00 C ATOM 0 H VAL A 89 5.880 -10.078 0.711 1.00 0.00 H new ATOM 0 HA VAL A 89 3.838 -9.537 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 89 6.676 -10.603 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.457 -10.090 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.289 -11.327 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.751 -9.652 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.221 -8.358 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.548 -7.839 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.607 -8.305 -0.677 1.00 0.00 H new ATOM 1430 N ASP A 90 2.905 -11.833 -1.410 1.00 0.00 N ATOM 1431 CA ASP A 90 2.352 -13.151 -1.692 1.00 0.00 C ATOM 1432 C ASP A 90 1.836 -13.196 -3.123 1.00 0.00 C ATOM 1433 O ASP A 90 1.727 -12.161 -3.778 1.00 0.00 O ATOM 1434 CB ASP A 90 1.208 -13.491 -0.729 1.00 0.00 C ATOM 1435 CG ASP A 90 1.641 -13.522 0.724 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.567 -12.471 1.396 1.00 0.00 O ATOM 1437 OD2 ASP A 90 2.043 -14.599 1.207 1.00 0.00 O ATOM 0 H ASP A 90 2.221 -11.077 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 90 3.146 -13.886 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.411 -12.757 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.791 -14.461 -0.998 1.00 0.00 H new ATOM 1442 N LYS A 91 1.525 -14.391 -3.604 1.00 0.00 N ATOM 1443 CA LYS A 91 0.967 -14.562 -4.943 1.00 0.00 C ATOM 1444 C LYS A 91 -0.531 -14.282 -4.938 1.00 0.00 C ATOM 1445 O LYS A 91 -1.181 -14.317 -3.891 1.00 0.00 O ATOM 1446 CB LYS A 91 1.207 -15.980 -5.462 1.00 0.00 C ATOM 1447 CG LYS A 91 2.616 -16.494 -5.237 1.00 0.00 C ATOM 1448 CD LYS A 91 2.835 -17.841 -5.913 1.00 0.00 C ATOM 1449 CE LYS A 91 2.665 -17.743 -7.422 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.898 -19.043 -8.101 1.00 0.00 N ATOM 0 H LYS A 91 1.649 -15.261 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 91 1.470 -13.853 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.504 -16.656 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.989 -16.006 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.334 -15.771 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.803 -16.588 -4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.835 -18.207 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.129 -18.569 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.659 -17.392 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.359 -17.000 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.771 -18.927 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.867 -19.367 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.220 -19.747 -7.746 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.071 -14.005 -6.117 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.496 -13.735 -6.271 1.00 0.00 C ATOM 1466 C ASN A 92 -3.288 -15.037 -6.299 1.00 0.00 C ATOM 1467 O ASN A 92 -3.810 -15.443 -7.338 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.751 -12.934 -7.549 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.198 -12.485 -7.702 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.947 -12.396 -6.726 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.587 -12.171 -8.930 1.00 0.00 N ATOM 0 H ASN A 92 -0.540 -13.961 -6.987 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.828 -13.146 -5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.104 -12.057 -7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.473 -13.541 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.538 -11.841 -9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.935 -12.259 -9.710 1.00 0.00 H new ATOM 1478 N THR A 93 -3.359 -15.688 -5.150 1.00 0.00 N ATOM 1479 CA THR A 93 -4.121 -16.918 -5.008 1.00 0.00 C ATOM 1480 C THR A 93 -5.594 -16.612 -4.753 1.00 0.00 C ATOM 1481 O THR A 93 -6.463 -17.474 -4.900 1.00 0.00 O ATOM 1482 CB THR A 93 -3.564 -17.770 -3.855 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.483 -16.982 -2.660 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.187 -18.302 -4.205 1.00 0.00 C ATOM 0 H THR A 93 -2.894 -15.382 -4.295 1.00 0.00 H new ATOM 0 HA THR A 93 -4.031 -17.478 -5.939 1.00 0.00 H new ATOM 0 HB THR A 93 -4.237 -18.612 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.129 -17.531 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.808 -18.903 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.252 -18.919 -5.101 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.510 -17.467 -4.387 1.00 0.00 H new ATOM 1492 N ASP A 94 -5.866 -15.370 -4.384 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.226 -14.928 -4.097 1.00 0.00 C ATOM 1494 C ASP A 94 -7.973 -14.618 -5.378 1.00 0.00 C ATOM 1495 O ASP A 94 -9.204 -14.564 -5.398 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.212 -13.694 -3.198 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.672 -13.999 -1.822 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -5.503 -14.417 -1.718 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.413 -13.810 -0.835 1.00 0.00 O ATOM 0 H ASP A 94 -5.158 -14.644 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.738 -15.739 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.605 -12.916 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.224 -13.299 -3.110 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.204 -14.408 -6.443 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.738 -14.140 -7.775 1.00 0.00 C ATOM 1506 C ASN A 95 -8.531 -12.838 -7.805 1.00 0.00 C ATOM 1507 O ASN A 95 -9.392 -12.640 -8.661 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.593 -15.313 -8.258 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.780 -16.577 -8.444 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -6.602 -16.528 -8.803 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.394 -17.716 -8.187 1.00 0.00 N ATOM 0 H ASN A 95 -6.185 -14.419 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.895 -14.026 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.391 -15.499 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.070 -15.048 -9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.892 -18.599 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.370 -17.714 -7.892 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.217 -11.948 -6.873 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.845 -10.637 -6.808 1.00 0.00 C ATOM 1520 C ASN A 96 -7.792 -9.587 -6.486 1.00 0.00 C ATOM 1521 O ASN A 96 -7.129 -9.654 -5.448 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.965 -10.621 -5.760 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.482 -9.219 -5.483 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.002 -8.535 -4.581 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.455 -8.778 -6.262 1.00 0.00 N ATOM 0 H ASN A 96 -7.523 -12.114 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.293 -10.409 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.788 -11.247 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.597 -11.059 -4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.833 -7.841 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.828 -9.375 -7.000 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.648 -8.622 -7.380 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.564 -7.654 -7.297 1.00 0.00 C ATOM 1534 C ALA A 97 -6.744 -6.677 -6.137 1.00 0.00 C ATOM 1535 O ALA A 97 -5.760 -6.230 -5.550 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.427 -6.907 -8.612 1.00 0.00 C ATOM 0 H ALA A 97 -8.271 -8.487 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.646 -8.209 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.613 -6.186 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.212 -7.615 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.357 -6.383 -8.831 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.989 -6.343 -5.804 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.247 -5.442 -4.681 1.00 0.00 C ATOM 1544 C CYS A 98 -7.752 -6.055 -3.372 1.00 0.00 C ATOM 1545 O CYS A 98 -7.111 -5.379 -2.569 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.737 -5.094 -4.552 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.450 -4.251 -6.003 1.00 0.00 S ATOM 0 H CYS A 98 -8.824 -6.676 -6.286 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.700 -4.521 -4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.296 -6.012 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.874 -4.459 -3.676 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.019 -7.343 -3.166 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.632 -8.005 -1.925 1.00 0.00 C ATOM 1554 C HIS A 99 -6.134 -8.280 -1.914 1.00 0.00 C ATOM 1555 O HIS A 99 -5.511 -8.333 -0.855 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.407 -9.315 -1.738 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.290 -9.897 -0.356 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.138 -11.247 -0.109 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.312 -9.300 0.862 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.072 -11.450 1.193 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.173 -10.287 1.802 1.00 0.00 N ATOM 0 H HIS A 99 -8.498 -7.944 -3.837 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.876 -7.339 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.459 -9.139 -1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.047 -10.046 -2.462 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.085 -11.974 -0.822 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.419 -8.243 1.055 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.955 -12.408 1.677 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.566 -8.455 -3.098 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.137 -8.723 -3.237 1.00 0.00 C ATOM 1572 C TRP A 100 -3.323 -7.503 -2.809 1.00 0.00 C ATOM 1573 O TRP A 100 -2.462 -7.593 -1.929 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.813 -9.103 -4.686 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.408 -9.589 -4.891 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.513 -9.955 -3.926 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.747 -9.786 -6.146 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.336 -10.357 -4.505 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.456 -10.268 -5.867 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.121 -9.603 -7.478 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.462 -10.568 -6.870 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.212 -9.903 -8.472 1.00 0.00 C ATOM 1583 CH2 TRP A 100 0.066 -10.382 -8.167 1.00 0.00 C ATOM 0 H TRP A 100 -6.073 -8.416 -3.982 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.871 -9.558 -2.589 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.506 -9.879 -5.011 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.983 -8.236 -5.325 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.704 -9.931 -2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.494 -10.671 -4.003 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.105 -9.233 -7.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.450 -10.934 -6.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.493 -9.765 -9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.753 -10.609 -8.969 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.618 -6.363 -3.424 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.933 -5.116 -3.110 1.00 0.00 C ATOM 1596 C ALA A 101 -3.171 -4.722 -1.660 1.00 0.00 C ATOM 1597 O ALA A 101 -2.260 -4.265 -0.966 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.415 -4.011 -4.033 1.00 0.00 C ATOM 0 H ALA A 101 -4.332 -6.278 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.863 -5.264 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.897 -3.083 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.206 -4.284 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.488 -3.872 -3.905 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.401 -4.920 -1.210 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.781 -4.574 0.146 1.00 0.00 C ATOM 1606 C PHE A 102 -4.044 -5.446 1.157 1.00 0.00 C ATOM 1607 O PHE A 102 -3.723 -4.995 2.253 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.292 -4.705 0.327 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.773 -4.343 1.705 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.770 -3.022 2.125 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.230 -5.318 2.580 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.213 -2.680 3.388 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.674 -4.981 3.843 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.665 -3.660 4.249 1.00 0.00 C ATOM 0 H PHE A 102 -5.154 -5.321 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.499 -3.536 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.792 -4.067 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.587 -5.731 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.417 -2.251 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.238 -6.352 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.206 -1.647 3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.028 -5.750 4.514 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.011 -3.395 5.237 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.758 -6.690 0.779 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.071 -7.609 1.673 1.00 0.00 C ATOM 1626 C ARG A 103 -1.613 -7.206 1.831 1.00 0.00 C ATOM 1627 O ARG A 103 -1.064 -7.273 2.927 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.160 -9.045 1.170 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.579 -10.035 2.159 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.807 -11.469 1.729 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.222 -11.757 0.423 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.754 -12.616 -0.437 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.873 -13.247 -0.123 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.172 -12.845 -1.607 1.00 0.00 N ATOM 0 H ARG A 103 -3.991 -7.080 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.565 -7.557 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.203 -9.297 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.631 -9.129 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.509 -9.855 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.029 -9.875 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.378 -12.141 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.878 -11.670 1.697 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.363 -11.275 0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.322 -13.072 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.287 -13.909 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.309 -12.359 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.588 -13.507 -2.262 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.997 -6.777 0.736 1.00 0.00 N ATOM 1649 CA GLY A 104 0.380 -6.319 0.796 1.00 0.00 C ATOM 1650 C GLY A 104 0.522 -5.120 1.713 1.00 0.00 C ATOM 1651 O GLY A 104 1.434 -5.056 2.540 1.00 0.00 O ATOM 0 H GLY A 104 -1.424 -6.738 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.019 -7.128 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.722 -6.057 -0.205 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.407 -4.182 1.579 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.407 -2.973 2.386 1.00 0.00 C ATOM 1657 C PHE A 105 -0.708 -3.293 3.848 1.00 0.00 C ATOM 1658 O PHE A 105 -0.006 -2.844 4.750 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.426 -1.981 1.825 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.669 -0.785 2.702 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.958 -0.392 3.030 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.603 -0.052 3.199 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.176 0.707 3.835 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.818 1.048 4.005 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.106 1.428 4.323 1.00 0.00 C ATOM 0 H PHE A 105 -1.176 -4.239 0.912 1.00 0.00 H new ATOM 0 HA PHE A 105 0.585 -2.522 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.083 -1.638 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.372 -2.499 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.800 -0.952 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.407 -0.345 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.185 1.003 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.021 1.611 4.386 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.276 2.289 4.953 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.745 -4.093 4.063 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.197 -4.442 5.408 1.00 0.00 C ATOM 1677 C LYS A 106 -1.120 -5.215 6.168 1.00 0.00 C ATOM 1678 O LYS A 106 -0.884 -4.964 7.349 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.507 -5.242 5.335 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.769 -6.149 6.523 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.050 -6.945 6.333 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.290 -7.913 7.479 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.269 -8.993 7.528 1.00 0.00 N ATOM 0 H LYS A 106 -2.295 -4.517 3.316 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.386 -3.521 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.338 -4.543 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.495 -5.848 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.930 -6.832 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.840 -5.551 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.894 -6.260 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.998 -7.498 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.282 -7.366 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.280 -8.357 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.564 -9.719 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.173 -9.423 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.355 -8.593 7.821 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.467 -6.138 5.476 1.00 0.00 N ATOM 1698 CA CYS A 107 0.589 -6.945 6.067 1.00 0.00 C ATOM 1699 C CYS A 107 1.744 -6.073 6.547 1.00 0.00 C ATOM 1700 O CYS A 107 2.265 -6.257 7.649 1.00 0.00 O ATOM 1701 CB CYS A 107 1.084 -7.975 5.042 1.00 0.00 C ATOM 1702 SG CYS A 107 2.617 -8.846 5.512 1.00 0.00 S ATOM 0 H CYS A 107 -0.653 -6.347 4.495 1.00 0.00 H new ATOM 0 HA CYS A 107 0.184 -7.466 6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.298 -8.713 4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.247 -7.470 4.090 1.00 0.00 H new ATOM 1707 N PHE A 108 2.118 -5.104 5.720 1.00 0.00 N ATOM 1708 CA PHE A 108 3.289 -4.284 5.981 1.00 0.00 C ATOM 1709 C PHE A 108 3.002 -3.224 7.044 1.00 0.00 C ATOM 1710 O PHE A 108 3.765 -3.080 7.996 1.00 0.00 O ATOM 1711 CB PHE A 108 3.756 -3.629 4.685 1.00 0.00 C ATOM 1712 CG PHE A 108 5.142 -3.050 4.760 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.248 -3.839 4.477 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.344 -1.725 5.109 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.523 -3.315 4.539 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.619 -1.197 5.173 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.709 -1.993 4.887 1.00 0.00 C ATOM 0 H PHE A 108 1.623 -4.868 4.860 1.00 0.00 H new ATOM 0 HA PHE A 108 4.081 -4.927 6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.724 -4.368 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.056 -2.838 4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.109 -4.875 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.495 -1.097 5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.375 -3.940 4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.762 -0.162 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.706 -1.582 4.935 1.00 0.00 H new ATOM 1727 N GLN A 109 1.893 -2.500 6.890 1.00 0.00 N ATOM 1728 CA GLN A 109 1.538 -1.419 7.816 1.00 0.00 C ATOM 1729 C GLN A 109 1.357 -1.947 9.237 1.00 0.00 C ATOM 1730 O GLN A 109 1.562 -1.222 10.212 1.00 0.00 O ATOM 1731 CB GLN A 109 0.266 -0.696 7.344 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.015 -1.521 7.430 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.847 -1.214 8.668 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.325 -0.806 9.704 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.150 -1.416 8.571 1.00 0.00 N ATOM 0 H GLN A 109 1.224 -2.641 6.133 1.00 0.00 H new ATOM 0 HA GLN A 109 2.360 -0.704 7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.138 0.208 7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.408 -0.380 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.618 -1.337 6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.758 -2.580 7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.550 -1.755 7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.755 -1.233 9.371 1.00 0.00 H new ATOM 1744 N LYS A 110 0.994 -3.219 9.342 1.00 0.00 N ATOM 1745 CA LYS A 110 0.760 -3.854 10.625 1.00 0.00 C ATOM 1746 C LYS A 110 2.054 -3.914 11.433 1.00 0.00 C ATOM 1747 O LYS A 110 2.037 -3.898 12.665 1.00 0.00 O ATOM 1748 CB LYS A 110 0.207 -5.258 10.393 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.222 -5.976 11.653 1.00 0.00 C ATOM 1750 CD LYS A 110 -1.475 -5.362 12.251 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.925 -6.118 13.490 1.00 0.00 C ATOM 1752 NZ LYS A 110 -0.892 -6.109 14.559 1.00 0.00 N ATOM 0 H LYS A 110 0.855 -3.835 8.541 1.00 0.00 H new ATOM 0 HA LYS A 110 0.036 -3.270 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.646 -5.192 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.966 -5.856 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.403 -7.027 11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.585 -5.941 12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.285 -4.320 12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.274 -5.367 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.844 -5.673 13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.158 -7.148 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.304 -6.469 15.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.095 -6.715 14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.553 -5.137 14.706 1.00 0.00 H new ATOM 1766 N ASN A 111 3.179 -3.963 10.731 1.00 0.00 N ATOM 1767 CA ASN A 111 4.474 -4.060 11.387 1.00 0.00 C ATOM 1768 C ASN A 111 5.249 -2.757 11.244 1.00 0.00 C ATOM 1769 O ASN A 111 5.968 -2.353 12.155 1.00 0.00 O ATOM 1770 CB ASN A 111 5.305 -5.202 10.796 1.00 0.00 C ATOM 1771 CG ASN A 111 4.574 -6.531 10.768 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.713 -6.803 11.604 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.918 -7.370 9.803 1.00 0.00 N ATOM 0 H ASN A 111 3.220 -3.937 9.712 1.00 0.00 H new ATOM 0 HA ASN A 111 4.291 -4.260 12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.601 -4.938 9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.221 -5.312 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.464 -8.281 9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.637 -7.106 9.130 1.00 0.00 H new ATOM 1780 N ASN A 112 5.081 -2.097 10.105 1.00 0.00 N ATOM 1781 CA ASN A 112 5.900 -0.942 9.754 1.00 0.00 C ATOM 1782 C ASN A 112 5.056 0.167 9.135 1.00 0.00 C ATOM 1783 O ASN A 112 5.125 0.407 7.930 1.00 0.00 O ATOM 1784 CB ASN A 112 6.981 -1.355 8.752 1.00 0.00 C ATOM 1785 CG ASN A 112 7.981 -2.343 9.313 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.422 -2.228 10.456 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.326 -3.343 8.520 1.00 0.00 N ATOM 0 H ASN A 112 4.381 -2.343 9.405 1.00 0.00 H new ATOM 0 HA ASN A 112 6.357 -0.568 10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.504 -1.792 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.512 -0.465 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.979 -4.053 8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.939 -3.404 7.578 1.00 0.00 H new ATOM 1794 N LEU A 113 4.260 0.846 9.945 1.00 0.00 N ATOM 1795 CA LEU A 113 3.430 1.925 9.429 1.00 0.00 C ATOM 1796 C LEU A 113 4.168 3.261 9.483 1.00 0.00 C ATOM 1797 O LEU A 113 3.944 4.140 8.647 1.00 0.00 O ATOM 1798 CB LEU A 113 2.103 2.019 10.184 1.00 0.00 C ATOM 1799 CG LEU A 113 1.213 3.191 9.773 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.751 3.029 8.335 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.021 3.304 10.706 1.00 0.00 C ATOM 0 H LEU A 113 4.170 0.674 10.946 1.00 0.00 H new ATOM 0 HA LEU A 113 3.211 1.695 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.550 1.092 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.313 2.097 11.251 1.00 0.00 H new ATOM 0 HG LEU A 113 1.796 4.109 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.118 3.872 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.618 2.995 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.184 2.103 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.603 4.144 10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.562 2.384 10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.371 3.465 11.726 1.00 0.00 H new ATOM 1813 N SER A 114 5.057 3.406 10.455 1.00 0.00 N ATOM 1814 CA SER A 114 5.822 4.638 10.603 1.00 0.00 C ATOM 1815 C SER A 114 6.723 4.858 9.390 1.00 0.00 C ATOM 1816 O SER A 114 6.922 5.990 8.947 1.00 0.00 O ATOM 1817 CB SER A 114 6.647 4.594 11.888 1.00 0.00 C ATOM 1818 OG SER A 114 5.816 4.327 13.009 1.00 0.00 O ATOM 0 H SER A 114 5.267 2.690 11.151 1.00 0.00 H new ATOM 0 HA SER A 114 5.127 5.476 10.666 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.415 3.825 11.807 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.162 5.545 12.029 1.00 0.00 H new ATOM 0 HG SER A 114 6.362 4.301 13.822 1.00 0.00 H new ATOM 1824 N LEU A 115 7.240 3.763 8.836 1.00 0.00 N ATOM 1825 CA LEU A 115 8.059 3.824 7.636 1.00 0.00 C ATOM 1826 C LEU A 115 7.229 4.337 6.466 1.00 0.00 C ATOM 1827 O LEU A 115 7.714 5.094 5.624 1.00 0.00 O ATOM 1828 CB LEU A 115 8.610 2.437 7.314 1.00 0.00 C ATOM 1829 CG LEU A 115 9.646 2.389 6.195 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.910 3.099 6.628 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.952 0.952 5.809 1.00 0.00 C ATOM 0 H LEU A 115 7.103 2.821 9.204 1.00 0.00 H new ATOM 0 HA LEU A 115 8.891 4.507 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.057 2.023 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.777 1.787 7.044 1.00 0.00 H new ATOM 0 HG LEU A 115 9.238 2.897 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.644 3.059 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.682 4.139 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.317 2.610 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.693 0.940 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.344 0.418 6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.039 0.465 5.465 1.00 0.00 H new ATOM 1843 N ILE A 116 5.965 3.933 6.440 1.00 0.00 N ATOM 1844 CA ILE A 116 5.039 4.343 5.399 1.00 0.00 C ATOM 1845 C ILE A 116 4.775 5.845 5.480 1.00 0.00 C ATOM 1846 O ILE A 116 4.784 6.545 4.468 1.00 0.00 O ATOM 1847 CB ILE A 116 3.711 3.559 5.503 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.951 2.088 5.155 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.651 4.159 4.591 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.730 1.214 5.337 1.00 0.00 C ATOM 0 H ILE A 116 5.556 3.313 7.140 1.00 0.00 H new ATOM 0 HA ILE A 116 5.494 4.119 4.434 1.00 0.00 H new ATOM 0 HB ILE A 116 3.345 3.627 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.286 2.018 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.759 1.703 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.727 3.589 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.469 5.195 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.997 4.124 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.976 0.186 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.407 1.253 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.927 1.573 4.694 1.00 0.00 H new ATOM 1862 N LYS A 117 4.583 6.337 6.696 1.00 0.00 N ATOM 1863 CA LYS A 117 4.346 7.757 6.920 1.00 0.00 C ATOM 1864 C LYS A 117 5.556 8.583 6.491 1.00 0.00 C ATOM 1865 O LYS A 117 5.421 9.611 5.825 1.00 0.00 O ATOM 1866 CB LYS A 117 4.043 8.024 8.396 1.00 0.00 C ATOM 1867 CG LYS A 117 2.711 7.450 8.872 1.00 0.00 C ATOM 1868 CD LYS A 117 2.451 7.778 10.339 1.00 0.00 C ATOM 1869 CE LYS A 117 1.126 7.207 10.821 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.860 7.547 12.244 1.00 0.00 N ATOM 0 H LYS A 117 4.587 5.772 7.545 1.00 0.00 H new ATOM 0 HA LYS A 117 3.486 8.051 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.845 7.603 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.045 9.100 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.902 7.850 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.710 6.369 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.262 7.380 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.451 8.859 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.318 7.591 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.133 6.124 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.052 7.140 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.618 7.159 12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.828 8.581 12.354 1.00 0.00 H new ATOM 1884 N ALA A 118 6.738 8.111 6.869 1.00 0.00 N ATOM 1885 CA ALA A 118 7.983 8.814 6.593 1.00 0.00 C ATOM 1886 C ALA A 118 8.348 8.788 5.112 1.00 0.00 C ATOM 1887 O ALA A 118 8.901 9.756 4.588 1.00 0.00 O ATOM 1888 CB ALA A 118 9.099 8.194 7.406 1.00 0.00 C ATOM 0 H ALA A 118 6.859 7.233 7.374 1.00 0.00 H new ATOM 0 HA ALA A 118 7.843 9.858 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.033 8.718 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.863 8.273 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.206 7.144 7.135 1.00 0.00 H new ATOM 1894 N SER A 119 8.047 7.679 4.446 1.00 0.00 N ATOM 1895 CA SER A 119 8.408 7.505 3.043 1.00 0.00 C ATOM 1896 C SER A 119 7.781 8.582 2.158 1.00 0.00 C ATOM 1897 O SER A 119 8.422 9.098 1.240 1.00 0.00 O ATOM 1898 CB SER A 119 7.999 6.111 2.556 1.00 0.00 C ATOM 1899 OG SER A 119 6.592 5.940 2.573 1.00 0.00 O ATOM 0 H SER A 119 7.553 6.886 4.855 1.00 0.00 H new ATOM 0 HA SER A 119 9.491 7.606 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.372 5.956 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.465 5.354 3.187 1.00 0.00 H new ATOM 0 HG SER A 119 6.238 6.223 3.442 1.00 0.00 H new ATOM 1905 N ILE A 120 6.536 8.935 2.457 1.00 0.00 N ATOM 1906 CA ILE A 120 5.813 9.925 1.671 1.00 0.00 C ATOM 1907 C ILE A 120 6.042 11.336 2.205 1.00 0.00 C ATOM 1908 O ILE A 120 5.532 12.312 1.651 1.00 0.00 O ATOM 1909 CB ILE A 120 4.297 9.639 1.654 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.750 9.554 3.078 1.00 0.00 C ATOM 1911 CG2 ILE A 120 4.007 8.356 0.894 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.243 9.631 3.153 1.00 0.00 C ATOM 0 H ILE A 120 6.007 8.549 3.239 1.00 0.00 H new ATOM 0 HA ILE A 120 6.202 9.856 0.655 1.00 0.00 H new ATOM 0 HB ILE A 120 3.797 10.463 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.081 8.619 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.177 10.363 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.933 8.169 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.361 8.453 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.519 7.524 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.927 9.564 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.906 10.578 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.808 8.807 2.588 1.00 0.00 H new ATOM 1924 N LYS A 121 6.796 11.448 3.287 1.00 0.00 N ATOM 1925 CA LYS A 121 7.080 12.743 3.872 1.00 0.00 C ATOM 1926 C LYS A 121 8.248 13.398 3.148 1.00 0.00 C ATOM 1927 O LYS A 121 9.312 12.796 2.997 1.00 0.00 O ATOM 1928 CB LYS A 121 7.397 12.601 5.359 1.00 0.00 C ATOM 1929 CG LYS A 121 7.558 13.937 6.060 1.00 0.00 C ATOM 1930 CD LYS A 121 8.052 13.774 7.484 1.00 0.00 C ATOM 1931 CE LYS A 121 8.276 15.126 8.144 1.00 0.00 C ATOM 1932 NZ LYS A 121 9.231 15.969 7.373 1.00 0.00 N ATOM 0 H LYS A 121 7.220 10.659 3.775 1.00 0.00 H new ATOM 0 HA LYS A 121 6.197 13.374 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.600 12.037 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.313 12.022 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.259 14.557 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.602 14.461 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.326 13.200 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.982 13.206 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.323 15.648 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.657 14.978 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.605 16.721 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.016 15.379 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.740 16.397 6.562 1.00 0.00 H new ATOM 1946 N LYS A 122 8.048 14.627 2.702 1.00 0.00 N ATOM 1947 CA LYS A 122 9.072 15.347 1.959 1.00 0.00 C ATOM 1948 C LYS A 122 9.063 16.815 2.343 1.00 0.00 C ATOM 1949 O LYS A 122 8.158 17.561 1.966 1.00 0.00 O ATOM 1950 CB LYS A 122 8.849 15.203 0.453 1.00 0.00 C ATOM 1951 CG LYS A 122 10.038 14.639 -0.309 1.00 0.00 C ATOM 1952 CD LYS A 122 11.215 15.598 -0.308 1.00 0.00 C ATOM 1953 CE LYS A 122 12.367 15.059 -1.139 1.00 0.00 C ATOM 1954 NZ LYS A 122 11.995 14.884 -2.571 1.00 0.00 N ATOM 0 H LYS A 122 7.183 15.150 2.842 1.00 0.00 H new ATOM 0 HA LYS A 122 10.042 14.918 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.987 14.557 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.599 16.180 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.340 13.692 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.743 14.426 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.900 16.564 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 122 11.549 15.766 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 122 13.215 15.740 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 122 12.691 14.102 -0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 12.856 14.763 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 11.391 14.043 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.477 15.724 -2.900 1.00 0.00 H new ATOM 1968 N ASP A 123 10.063 17.219 3.102 1.00 0.00 N ATOM 1969 CA ASP A 123 10.175 18.597 3.549 1.00 0.00 C ATOM 1970 C ASP A 123 11.089 19.379 2.619 1.00 0.00 C ATOM 1971 O ASP A 123 12.324 19.225 2.729 1.00 0.00 O ATOM 1972 CB ASP A 123 10.708 18.655 4.978 1.00 0.00 C ATOM 1973 CG ASP A 123 10.644 20.052 5.560 1.00 0.00 C ATOM 1974 OD1 ASP A 123 11.640 20.796 5.459 1.00 0.00 O ATOM 1975 OD2 ASP A 123 9.590 20.415 6.128 1.00 0.00 O ATOM 1976 OXT ASP A 123 10.572 20.136 1.772 1.00 0.00 O ATOM 0 H ASP A 123 10.815 16.610 3.425 1.00 0.00 H new ATOM 0 HA ASP A 123 9.182 19.047 3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.132 17.976 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.740 18.305 4.993 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.230 7.386 2.487 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.800 5.982 2.126 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.809 6.035 0.968 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.287 4.644 0.615 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.599 4.043 1.812 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.317 4.254 2.004 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.434 5.190 1.088 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.678 5.704 1.762 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.852 5.220 1.442 1.00 0.00 C HETATM 1991 C10 ACD A 201 2.974 4.192 0.353 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.383 3.660 0.315 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.598 2.379 0.172 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.452 1.443 -0.066 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.957 0.937 1.261 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.899 -0.349 1.494 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.430 -1.323 0.478 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.593 -2.698 1.114 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.860 -3.768 0.060 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.061 -5.131 0.717 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.190 -6.231 -0.330 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.441 7.661 2.469 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.353 8.220 2.795 1.00 0.00 O HETATM 0 H203 ACD A 201 3.284 -6.266 -0.935 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.046 -6.024 -0.972 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.332 -7.191 0.166 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.956 -5.110 1.339 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.220 -5.348 1.376 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.024 -3.815 -0.638 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.745 -3.503 -0.519 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.416 -2.675 1.829 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.692 -2.952 1.673 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.749 -1.384 -0.371 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.389 -0.975 0.094 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.650 1.955 -0.598 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.769 0.610 -0.693 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.272 3.377 0.528 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.716 4.634 -0.609 1.00 0.00 H new HETATM 0 HO2 ACD A 201 -3.736 9.122 2.771 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.743 5.564 1.967 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.601 6.483 2.520 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.700 4.671 0.167 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.207 6.026 0.808 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.203 3.755 2.822 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.164 3.434 2.518 1.00 0.00 H new HETATM 0 H42 ACD A 201 -3.111 4.005 0.298 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.592 4.707 -0.223 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.290 6.476 0.095 1.00 0.00 H new HETATM 0 H31 ACD A 201 -1.973 6.682 1.232 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.342 5.498 2.988 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.668 5.384 1.848 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.466 -0.715 2.425 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.646 1.644 2.030 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.615 1.990 0.226 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.225 4.346 0.407 1.00 0.00 H new