USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 TYR OH : rot 61:sc= 1.44 USER MOD Set 1.2: A 69 THR OG1 : rot -88:sc= 0.0502 USER MOD Set 1.3: A 80 TYR OH : rot -144:sc= 0.225 USER MOD Set 2.1: A 26 THR OG1 : rot -35:sc= 1.29 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.956 K(o=2.2,f=-4.7!) USER MOD Single : A 12 MET CE :methyl -177:sc= -0.0951 (180deg=-0.118) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.398 K(o=-0.4,f=-2.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 30:sc= 0.612 USER MOD Single : A 29 CYS SG : rot 13:sc= -0.495 USER MOD Single : A 34 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0.924 (180deg=0.892) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.78 (180deg=1.73) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.478 USER MOD Single : A 54 HIS : no HD1:sc= -0.0354 K(o=-0.035,f=-1.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.604 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.474 USER MOD Single : A 66 SER OG : rot 32:sc= 0.0387 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -52:sc= 0.82 USER MOD Single : A 79 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 168:sc= 0 (180deg=-0.219) USER MOD Single : A 86 ASN : amide:sc= -0.806! C(o=-0.81!,f=-10!) USER MOD Single : A 88 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.11) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 162:sc= -0.0539 (180deg=-0.4) USER MOD Single : A 100 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.806 9.484 3.576 1.00 0.00 N ATOM 67 CA ALA A 7 -3.203 9.801 3.311 1.00 0.00 C ATOM 68 C ALA A 7 -3.682 10.950 4.188 1.00 0.00 C ATOM 69 O ALA A 7 -3.177 11.155 5.292 1.00 0.00 O ATOM 70 CB ALA A 7 -4.077 8.573 3.518 1.00 0.00 C ATOM 0 HA ALA A 7 -3.284 10.115 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.117 8.828 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.759 7.782 2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.982 8.228 4.548 1.00 0.00 H new ATOM 76 N PRO A 8 -4.661 11.699 3.692 1.00 0.00 N ATOM 77 CA PRO A 8 -5.213 12.828 4.430 1.00 0.00 C ATOM 78 C PRO A 8 -5.902 12.365 5.710 1.00 0.00 C ATOM 79 O PRO A 8 -6.500 11.286 5.751 1.00 0.00 O ATOM 80 CB PRO A 8 -6.194 13.473 3.448 1.00 0.00 C ATOM 81 CG PRO A 8 -6.531 12.383 2.488 1.00 0.00 C ATOM 82 CD PRO A 8 -5.273 11.566 2.355 1.00 0.00 C ATOM 0 HA PRO A 8 -4.449 13.531 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.084 13.841 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.744 14.325 2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.357 11.775 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.840 12.789 1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.489 10.526 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.621 11.950 1.570 1.00 0.00 H new ATOM 90 N PHE A 9 -5.816 13.182 6.753 1.00 0.00 N ATOM 91 CA PHE A 9 -6.373 12.828 8.053 1.00 0.00 C ATOM 92 C PHE A 9 -6.555 14.064 8.926 1.00 0.00 C ATOM 93 O PHE A 9 -5.708 14.956 8.946 1.00 0.00 O ATOM 94 CB PHE A 9 -5.476 11.811 8.760 1.00 0.00 C ATOM 95 CG PHE A 9 -5.918 11.480 10.157 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.002 10.641 10.375 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.254 12.006 11.254 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.410 10.336 11.660 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.659 11.702 12.539 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.739 10.866 12.742 1.00 0.00 C ATOM 0 H PHE A 9 -5.365 14.096 6.724 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.353 12.380 7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.448 10.894 8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.458 12.200 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.532 10.222 9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.409 12.662 11.102 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.255 9.682 11.817 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.131 12.118 13.385 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.058 10.628 13.746 1.00 0.00 H new ATOM 110 N PHE A 10 -7.666 14.107 9.653 1.00 0.00 N ATOM 111 CA PHE A 10 -7.934 15.201 10.581 1.00 0.00 C ATOM 112 C PHE A 10 -7.394 14.885 11.973 1.00 0.00 C ATOM 113 O PHE A 10 -8.022 14.160 12.740 1.00 0.00 O ATOM 114 CB PHE A 10 -9.435 15.487 10.649 1.00 0.00 C ATOM 115 CG PHE A 10 -10.008 16.028 9.371 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.830 17.357 9.020 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.726 15.206 8.514 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.357 17.857 7.845 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.253 15.703 7.337 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.070 17.027 7.003 1.00 0.00 C ATOM 0 H PHE A 10 -8.397 13.396 9.618 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.422 16.089 10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.959 14.568 10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.623 16.200 11.451 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.272 18.011 9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.875 14.167 8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.212 18.895 7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.809 15.053 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.484 17.415 6.084 1.00 0.00 H new ATOM 130 N GLU A 11 -6.228 15.437 12.285 1.00 0.00 N ATOM 131 CA GLU A 11 -5.642 15.288 13.609 1.00 0.00 C ATOM 132 C GLU A 11 -6.302 16.227 14.613 1.00 0.00 C ATOM 133 O GLU A 11 -6.147 16.068 15.823 1.00 0.00 O ATOM 134 CB GLU A 11 -4.134 15.546 13.560 1.00 0.00 C ATOM 135 CG GLU A 11 -3.753 16.966 13.166 1.00 0.00 C ATOM 136 CD GLU A 11 -2.262 17.158 13.195 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.576 16.273 13.647 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.799 18.141 12.665 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.670 15.993 11.637 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.815 14.263 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.708 15.327 14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.681 14.851 12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.131 17.182 12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.227 17.674 13.846 1.00 0.00 H new ATOM 145 N MET A 12 -7.039 17.206 14.101 1.00 0.00 N ATOM 146 CA MET A 12 -7.925 18.014 14.933 1.00 0.00 C ATOM 147 C MET A 12 -9.237 18.305 14.217 1.00 0.00 C ATOM 148 O MET A 12 -9.283 19.105 13.286 1.00 0.00 O ATOM 149 CB MET A 12 -7.236 19.320 15.325 1.00 0.00 C ATOM 150 CG MET A 12 -8.051 20.208 16.255 1.00 0.00 C ATOM 151 SD MET A 12 -7.207 21.750 16.659 1.00 0.00 S ATOM 152 CE MET A 12 -7.510 22.701 15.173 1.00 0.00 C ATOM 0 H MET A 12 -7.041 17.460 13.113 1.00 0.00 H new ATOM 0 HA MET A 12 -8.151 17.447 15.836 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.287 19.085 15.807 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.004 19.880 14.419 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.009 20.434 15.787 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.266 19.664 17.175 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.004 23.663 15.247 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.129 22.157 14.309 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.582 22.863 15.057 1.00 0.00 H new ATOM 162 N LYS A 13 -10.305 17.652 14.667 1.00 0.00 N ATOM 163 CA LYS A 13 -11.585 17.711 13.972 1.00 0.00 C ATOM 164 C LYS A 13 -12.467 18.821 14.532 1.00 0.00 C ATOM 165 O LYS A 13 -12.172 19.388 15.585 1.00 0.00 O ATOM 166 CB LYS A 13 -12.308 16.367 14.066 1.00 0.00 C ATOM 167 CG LYS A 13 -11.612 15.225 13.338 1.00 0.00 C ATOM 168 CD LYS A 13 -12.406 13.933 13.446 1.00 0.00 C ATOM 169 CE LYS A 13 -11.712 12.792 12.717 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.481 11.522 12.811 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.308 17.077 15.509 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.384 17.932 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.416 16.099 15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.314 16.480 13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.481 15.487 12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.616 15.078 13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.535 13.671 14.496 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.402 14.081 13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.579 13.059 11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.717 12.645 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.974 10.771 12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.586 11.253 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.422 11.654 12.387 1.00 0.00 H new ATOM 184 N LEU A 14 -13.546 19.128 13.820 1.00 0.00 N ATOM 185 CA LEU A 14 -14.502 20.127 14.275 1.00 0.00 C ATOM 186 C LEU A 14 -15.481 19.539 15.282 1.00 0.00 C ATOM 187 O LEU A 14 -15.692 18.327 15.323 1.00 0.00 O ATOM 188 CB LEU A 14 -15.257 20.719 13.079 1.00 0.00 C ATOM 189 CG LEU A 14 -14.391 21.496 12.079 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.200 21.823 10.831 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.873 22.768 12.735 1.00 0.00 C ATOM 0 H LEU A 14 -13.779 18.698 12.925 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.948 20.922 14.774 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.758 19.909 12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.035 21.383 13.454 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.540 20.883 11.782 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.576 22.375 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.541 20.898 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.062 22.431 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.258 23.320 12.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.715 23.387 13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.274 22.509 13.608 1.00 0.00 H new ATOM 203 N LYS A 15 -16.079 20.403 16.095 1.00 0.00 N ATOM 204 CA LYS A 15 -17.083 19.978 17.063 1.00 0.00 C ATOM 205 C LYS A 15 -18.450 20.569 16.739 1.00 0.00 C ATOM 206 O LYS A 15 -18.598 21.308 15.764 1.00 0.00 O ATOM 207 CB LYS A 15 -16.662 20.373 18.479 1.00 0.00 C ATOM 208 CG LYS A 15 -15.356 19.743 18.946 1.00 0.00 C ATOM 209 CD LYS A 15 -15.035 20.136 20.380 1.00 0.00 C ATOM 210 CE LYS A 15 -13.737 19.495 20.852 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.412 19.867 22.257 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.885 21.404 16.103 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.161 18.892 17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.566 21.458 18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.455 20.092 19.172 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.426 18.658 18.871 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.544 20.056 18.290 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.955 21.221 20.453 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.852 19.832 21.034 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.818 18.411 20.773 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.921 19.802 20.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.521 19.410 22.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.309 20.899 22.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.178 19.551 22.886 1.00 0.00 H new ATOM 225 N HIS A 16 -19.442 20.240 17.559 1.00 0.00 N ATOM 226 CA HIS A 16 -20.759 20.853 17.451 1.00 0.00 C ATOM 227 C HIS A 16 -20.797 22.201 18.159 1.00 0.00 C ATOM 228 O HIS A 16 -20.744 22.268 19.389 1.00 0.00 O ATOM 229 CB HIS A 16 -21.836 19.928 18.026 1.00 0.00 C ATOM 230 CG HIS A 16 -23.228 20.455 17.867 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.316 19.881 18.493 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.711 21.500 17.156 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.408 20.553 18.172 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.067 21.540 17.362 1.00 0.00 N ATOM 0 H HIS A 16 -19.358 19.551 18.307 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.963 21.015 16.392 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.767 18.956 17.537 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.637 19.767 19.085 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.283 19.067 19.106 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.136 22.177 16.541 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.409 20.333 18.514 1.00 0.00 H new ATOM 242 N TYR A 17 -20.892 23.273 17.382 1.00 0.00 N ATOM 243 CA TYR A 17 -20.792 24.623 17.919 1.00 0.00 C ATOM 244 C TYR A 17 -22.169 25.234 18.139 1.00 0.00 C ATOM 245 O TYR A 17 -23.093 25.002 17.360 1.00 0.00 O ATOM 246 CB TYR A 17 -19.968 25.510 16.983 1.00 0.00 C ATOM 247 CG TYR A 17 -18.554 25.021 16.761 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.567 25.250 17.707 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.211 24.333 15.606 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.273 24.806 17.511 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.921 23.883 15.400 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.955 24.122 16.355 1.00 0.00 C ATOM 253 OH TYR A 17 -14.668 23.678 16.154 1.00 0.00 O ATOM 0 H TYR A 17 -21.039 23.232 16.373 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.290 24.561 18.884 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.475 25.575 16.020 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.933 26.519 17.393 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.813 25.784 18.613 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.965 24.146 14.856 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.515 24.993 18.258 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.671 23.347 14.496 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.613 23.215 15.292 1.00 0.00 H new ATOM 263 N LYS A 18 -22.301 26.012 19.206 1.00 0.00 N ATOM 264 CA LYS A 18 -23.535 26.739 19.477 1.00 0.00 C ATOM 265 C LYS A 18 -23.315 28.246 19.414 1.00 0.00 C ATOM 266 O LYS A 18 -22.513 28.796 20.170 1.00 0.00 O ATOM 267 CB LYS A 18 -24.098 26.346 20.844 1.00 0.00 C ATOM 268 CG LYS A 18 -25.438 26.986 21.181 1.00 0.00 C ATOM 269 CD LYS A 18 -25.926 26.558 22.557 1.00 0.00 C ATOM 270 CE LYS A 18 -27.269 27.191 22.891 1.00 0.00 C ATOM 271 NZ LYS A 18 -27.776 26.754 24.220 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.567 26.156 19.899 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.256 26.469 18.705 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -24.208 25.262 20.880 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.375 26.619 21.613 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.343 28.071 21.148 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -26.176 26.707 20.429 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.015 25.472 22.592 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.191 26.842 23.310 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.171 28.277 22.879 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -27.995 26.928 22.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.692 27.208 24.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.894 25.721 24.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.096 27.027 24.958 1.00 0.00 H new ATOM 285 N ILE A 19 -24.031 28.906 18.515 1.00 0.00 N ATOM 286 CA ILE A 19 -23.819 30.327 18.255 1.00 0.00 C ATOM 287 C ILE A 19 -25.119 31.108 18.386 1.00 0.00 C ATOM 288 O ILE A 19 -26.176 30.655 17.950 1.00 0.00 O ATOM 289 CB ILE A 19 -23.228 30.566 16.854 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.013 29.664 16.627 1.00 0.00 C ATOM 291 CG2 ILE A 19 -22.849 32.028 16.679 1.00 0.00 C ATOM 292 CD1 ILE A 19 -22.347 28.345 15.968 1.00 0.00 C ATOM 0 H ILE A 19 -24.767 28.481 17.951 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.108 30.679 19.002 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.986 30.317 16.111 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.288 30.195 16.010 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -21.533 29.469 17.586 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.433 32.179 15.683 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.735 32.651 16.800 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -22.107 32.304 17.428 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.436 27.761 15.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -23.047 27.792 16.594 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -22.799 28.529 14.994 1.00 0.00 H new ATOM 304 N PHE A 20 -25.034 32.291 18.990 1.00 0.00 N ATOM 305 CA PHE A 20 -26.170 33.199 19.061 1.00 0.00 C ATOM 306 C PHE A 20 -26.439 33.854 17.713 1.00 0.00 C ATOM 307 O PHE A 20 -25.508 34.212 16.990 1.00 0.00 O ATOM 308 CB PHE A 20 -25.932 34.270 20.128 1.00 0.00 C ATOM 309 CG PHE A 20 -26.098 33.771 21.534 1.00 0.00 C ATOM 310 CD1 PHE A 20 -26.669 32.532 21.783 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.686 34.540 22.612 1.00 0.00 C ATOM 312 CE1 PHE A 20 -26.824 32.072 23.078 1.00 0.00 C ATOM 313 CE2 PHE A 20 -25.838 34.082 23.907 1.00 0.00 C ATOM 314 CZ PHE A 20 -26.408 32.847 24.139 1.00 0.00 C ATOM 0 H PHE A 20 -24.187 32.641 19.437 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.048 32.614 19.335 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -24.925 34.669 20.011 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -26.624 35.096 19.961 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -26.996 31.919 20.956 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.241 35.508 22.437 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -27.271 31.105 23.258 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.511 34.690 24.737 1.00 0.00 H new ATOM 0 HZ PHE A 20 -26.528 32.488 25.151 1.00 0.00 H new ATOM 324 N GLU A 21 -27.716 34.008 17.379 1.00 0.00 N ATOM 325 CA GLU A 21 -28.108 34.630 16.121 1.00 0.00 C ATOM 326 C GLU A 21 -27.514 36.027 15.987 1.00 0.00 C ATOM 327 O GLU A 21 -27.811 36.917 16.783 1.00 0.00 O ATOM 328 CB GLU A 21 -29.633 34.693 16.006 1.00 0.00 C ATOM 329 CG GLU A 21 -30.143 35.204 14.666 1.00 0.00 C ATOM 330 CD GLU A 21 -31.646 35.226 14.626 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.253 34.768 15.564 1.00 0.00 O ATOM 332 OE2 GLU A 21 -32.187 35.802 13.712 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.497 33.710 17.963 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.717 34.015 15.310 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.040 33.697 16.179 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.018 35.337 16.797 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.758 36.208 14.487 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.765 34.569 13.865 1.00 0.00 H new ATOM 339 N GLY A 22 -26.672 36.210 14.975 1.00 0.00 N ATOM 340 CA GLY A 22 -26.078 37.510 14.700 1.00 0.00 C ATOM 341 C GLY A 22 -24.689 37.626 15.316 1.00 0.00 C ATOM 342 O GLY A 22 -23.966 38.590 15.069 1.00 0.00 O ATOM 0 H GLY A 22 -26.386 35.472 14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.014 37.662 13.623 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.720 38.297 15.096 1.00 0.00 H new ATOM 346 N MET A 23 -24.321 36.634 16.120 1.00 0.00 N ATOM 347 CA MET A 23 -23.035 36.639 16.804 1.00 0.00 C ATOM 348 C MET A 23 -21.952 35.994 15.953 1.00 0.00 C ATOM 349 O MET A 23 -22.146 34.909 15.402 1.00 0.00 O ATOM 350 CB MET A 23 -23.151 35.919 18.147 1.00 0.00 C ATOM 351 CG MET A 23 -21.862 35.884 18.956 1.00 0.00 C ATOM 352 SD MET A 23 -22.084 35.144 20.585 1.00 0.00 S ATOM 353 CE MET A 23 -20.387 35.054 21.150 1.00 0.00 C ATOM 0 H MET A 23 -24.897 35.815 16.314 1.00 0.00 H new ATOM 0 HA MET A 23 -22.750 37.677 16.978 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.925 36.406 18.741 1.00 0.00 H new ATOM 0 HB3 MET A 23 -23.482 34.896 17.969 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.107 35.322 18.406 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.482 36.899 19.071 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.358 34.616 22.148 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.808 34.434 20.465 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.960 36.057 21.181 1.00 0.00 H new ATOM 363 N PRO A 24 -20.813 36.665 15.846 1.00 0.00 N ATOM 364 CA PRO A 24 -19.672 36.129 15.108 1.00 0.00 C ATOM 365 C PRO A 24 -19.111 34.889 15.792 1.00 0.00 C ATOM 366 O PRO A 24 -19.205 34.741 17.009 1.00 0.00 O ATOM 367 CB PRO A 24 -18.664 37.281 15.088 1.00 0.00 C ATOM 368 CG PRO A 24 -19.012 38.102 16.282 1.00 0.00 C ATOM 369 CD PRO A 24 -20.509 38.014 16.407 1.00 0.00 C ATOM 0 HA PRO A 24 -19.935 35.803 14.102 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.640 36.913 15.144 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.744 37.862 14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.520 37.721 17.177 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.689 39.135 16.156 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.833 38.103 17.444 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -21.008 38.806 15.848 1.00 0.00 H new ATOM 377 N VAL A 25 -18.526 33.996 14.997 1.00 0.00 N ATOM 378 CA VAL A 25 -17.957 32.760 15.523 1.00 0.00 C ATOM 379 C VAL A 25 -16.717 32.349 14.737 1.00 0.00 C ATOM 380 O VAL A 25 -16.713 32.383 13.505 1.00 0.00 O ATOM 381 CB VAL A 25 -18.979 31.608 15.491 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.444 31.348 14.066 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.379 30.346 16.092 1.00 0.00 C ATOM 0 H VAL A 25 -18.434 34.106 13.987 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.680 32.957 16.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.843 31.898 16.089 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.166 30.531 14.062 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.912 32.248 13.666 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.588 31.079 13.447 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.115 29.543 16.061 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.499 30.054 15.520 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -18.093 30.536 17.126 1.00 0.00 H new ATOM 393 N THR A 26 -15.669 31.959 15.454 1.00 0.00 N ATOM 394 CA THR A 26 -14.447 31.477 14.823 1.00 0.00 C ATOM 395 C THR A 26 -14.204 30.006 15.145 1.00 0.00 C ATOM 396 O THR A 26 -14.248 29.601 16.306 1.00 0.00 O ATOM 397 CB THR A 26 -13.222 32.299 15.264 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.415 33.675 14.908 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.960 31.779 14.593 1.00 0.00 C ATOM 0 H THR A 26 -15.642 31.967 16.474 1.00 0.00 H new ATOM 0 HA THR A 26 -14.582 31.592 13.747 1.00 0.00 H new ATOM 0 HB THR A 26 -13.111 32.206 16.344 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.900 33.728 14.058 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.105 32.372 14.917 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.804 30.736 14.870 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.065 31.855 13.511 1.00 0.00 H new ATOM 407 N PHE A 27 -13.949 29.213 14.110 1.00 0.00 N ATOM 408 CA PHE A 27 -13.654 27.797 14.286 1.00 0.00 C ATOM 409 C PHE A 27 -12.638 27.314 13.258 1.00 0.00 C ATOM 410 O PHE A 27 -12.531 27.879 12.168 1.00 0.00 O ATOM 411 CB PHE A 27 -14.937 26.968 14.188 1.00 0.00 C ATOM 412 CG PHE A 27 -15.726 27.218 12.935 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.581 28.307 12.843 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.615 26.368 11.846 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.309 28.539 11.692 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.341 26.598 10.692 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.188 27.683 10.616 1.00 0.00 C ATOM 0 H PHE A 27 -13.941 29.528 13.140 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.222 27.666 15.278 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.680 25.910 14.239 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.566 27.185 15.052 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.679 28.981 13.681 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.954 25.516 11.899 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.972 29.389 11.634 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.245 25.928 9.851 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.756 27.863 9.715 1.00 0.00 H new ATOM 427 N THR A 28 -11.895 26.273 13.612 1.00 0.00 N ATOM 428 CA THR A 28 -10.719 25.877 12.846 1.00 0.00 C ATOM 429 C THR A 28 -10.485 24.374 12.930 1.00 0.00 C ATOM 430 O THR A 28 -10.974 23.713 13.846 1.00 0.00 O ATOM 431 CB THR A 28 -9.455 26.611 13.332 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.353 26.291 12.472 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.116 26.201 14.757 1.00 0.00 C ATOM 0 H THR A 28 -12.086 25.687 14.425 1.00 0.00 H new ATOM 0 HA THR A 28 -10.913 26.153 11.810 1.00 0.00 H new ATOM 0 HB THR A 28 -9.644 27.684 13.308 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.686 26.108 11.568 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.220 26.729 15.084 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.947 26.453 15.416 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.937 25.126 14.794 1.00 0.00 H new ATOM 441 N CYS A 29 -9.735 23.842 11.969 1.00 0.00 N ATOM 442 CA CYS A 29 -9.454 22.411 11.925 1.00 0.00 C ATOM 443 C CYS A 29 -8.074 22.140 11.339 1.00 0.00 C ATOM 444 O CYS A 29 -7.603 22.874 10.468 1.00 0.00 O ATOM 445 CB CYS A 29 -10.547 21.881 10.996 1.00 0.00 C ATOM 446 SG CYS A 29 -10.610 20.079 10.865 1.00 0.00 S ATOM 0 H CYS A 29 -9.312 24.379 11.212 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.452 21.944 12.910 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.513 22.241 11.350 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.396 22.300 10.001 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.877 19.550 11.799 1.00 0.00 H new ATOM 452 N ARG A 30 -7.428 21.085 11.822 1.00 0.00 N ATOM 453 CA ARG A 30 -6.042 20.807 11.469 1.00 0.00 C ATOM 454 C ARG A 30 -5.898 19.416 10.863 1.00 0.00 C ATOM 455 O ARG A 30 -6.462 18.443 11.367 1.00 0.00 O ATOM 456 CB ARG A 30 -5.100 21.003 12.648 1.00 0.00 C ATOM 457 CG ARG A 30 -3.625 20.820 12.324 1.00 0.00 C ATOM 458 CD ARG A 30 -2.715 21.029 13.479 1.00 0.00 C ATOM 459 NE ARG A 30 -1.324 20.692 13.219 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.403 21.554 12.746 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.727 22.793 12.446 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.831 21.116 12.570 1.00 0.00 N ATOM 0 H ARG A 30 -7.844 20.407 12.461 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.751 21.533 10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.247 22.005 13.050 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.374 20.300 13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.473 19.814 11.934 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.351 21.514 11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.772 22.073 13.786 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.070 20.431 14.318 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.025 19.735 13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.687 23.113 12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.018 23.433 12.089 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.065 20.148 12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.550 21.746 12.213 1.00 0.00 H new ATOM 476 N VAL A 31 -5.138 19.327 9.774 1.00 0.00 N ATOM 477 CA VAL A 31 -4.927 18.058 9.090 1.00 0.00 C ATOM 478 C VAL A 31 -3.460 17.646 9.137 1.00 0.00 C ATOM 479 O VAL A 31 -2.586 18.460 9.429 1.00 0.00 O ATOM 480 CB VAL A 31 -5.385 18.125 7.621 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.882 18.387 7.543 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.616 19.202 6.871 1.00 0.00 C ATOM 0 H VAL A 31 -4.659 20.120 9.348 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.528 17.314 9.614 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.177 17.164 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.190 18.432 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.419 17.582 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.111 19.335 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.953 19.235 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.793 20.169 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.550 18.975 6.899 1.00 0.00 H new ATOM 492 N ALA A 32 -3.198 16.374 8.846 1.00 0.00 N ATOM 493 CA ALA A 32 -1.835 15.865 8.808 1.00 0.00 C ATOM 494 C ALA A 32 -1.663 14.824 7.708 1.00 0.00 C ATOM 495 O ALA A 32 -1.623 13.624 7.976 1.00 0.00 O ATOM 496 CB ALA A 32 -1.450 15.278 10.160 1.00 0.00 C ATOM 0 H ALA A 32 -3.914 15.679 8.633 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.171 16.700 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.428 14.902 10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.519 16.051 10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.127 14.461 10.408 1.00 0.00 H new ATOM 502 N GLY A 33 -1.566 15.293 6.469 1.00 0.00 N ATOM 503 CA GLY A 33 -1.334 14.412 5.331 1.00 0.00 C ATOM 504 C GLY A 33 -0.016 14.735 4.644 1.00 0.00 C ATOM 505 O GLY A 33 0.730 15.604 5.091 1.00 0.00 O ATOM 0 H GLY A 33 -1.645 16.281 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.328 13.375 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.153 14.511 4.618 1.00 0.00 H new ATOM 509 N ASN A 34 0.267 14.033 3.545 1.00 0.00 N ATOM 510 CA ASN A 34 1.487 14.263 2.777 1.00 0.00 C ATOM 511 C ASN A 34 1.313 13.826 1.342 1.00 0.00 C ATOM 512 O ASN A 34 1.317 12.634 1.032 1.00 0.00 O ATOM 513 CB ASN A 34 2.671 13.504 3.444 1.00 0.00 C ATOM 514 CG ASN A 34 4.077 13.817 2.922 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.271 14.268 1.803 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.104 13.573 3.692 1.00 0.00 N ATOM 0 H ASN A 34 -0.334 13.300 3.168 1.00 0.00 H new ATOM 0 HA ASN A 34 1.704 15.331 2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.651 13.716 4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.496 12.434 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.049 13.759 3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.961 13.196 4.629 1.00 0.00 H new ATOM 523 N PRO A 35 1.185 14.801 0.447 1.00 0.00 N ATOM 524 CA PRO A 35 1.373 16.198 0.810 1.00 0.00 C ATOM 525 C PRO A 35 0.218 16.709 1.665 1.00 0.00 C ATOM 526 O PRO A 35 -0.877 16.147 1.642 1.00 0.00 O ATOM 527 CB PRO A 35 1.457 16.924 -0.537 1.00 0.00 C ATOM 528 CG PRO A 35 1.772 15.848 -1.520 1.00 0.00 C ATOM 529 CD PRO A 35 1.085 14.616 -0.995 1.00 0.00 C ATOM 0 HA PRO A 35 2.263 16.360 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.518 17.421 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.231 17.692 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.410 16.106 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.848 15.693 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.049 14.555 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.580 13.702 -1.324 1.00 0.00 H new ATOM 537 N LYS A 36 0.476 17.773 2.423 1.00 0.00 N ATOM 538 CA LYS A 36 -0.535 18.337 3.308 1.00 0.00 C ATOM 539 C LYS A 36 -1.775 18.759 2.528 1.00 0.00 C ATOM 540 O LYS A 36 -1.684 19.493 1.547 1.00 0.00 O ATOM 541 CB LYS A 36 0.033 19.530 4.079 1.00 0.00 C ATOM 542 CG LYS A 36 1.127 19.170 5.076 1.00 0.00 C ATOM 543 CD LYS A 36 1.618 20.400 5.826 1.00 0.00 C ATOM 544 CE LYS A 36 2.778 20.060 6.749 1.00 0.00 C ATOM 545 NZ LYS A 36 3.272 21.254 7.485 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.373 18.258 2.441 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.826 17.563 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.431 20.252 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.780 20.023 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.747 18.436 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.961 18.704 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.930 21.163 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.800 20.824 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.463 19.299 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.592 19.631 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.073 20.982 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.581 21.978 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.507 21.639 8.076 1.00 0.00 H new ATOM 559 N PRO A 37 -2.935 18.287 2.975 1.00 0.00 N ATOM 560 CA PRO A 37 -4.190 18.564 2.286 1.00 0.00 C ATOM 561 C PRO A 37 -4.424 20.062 2.147 1.00 0.00 C ATOM 562 O PRO A 37 -4.064 20.843 3.028 1.00 0.00 O ATOM 563 CB PRO A 37 -5.254 17.893 3.160 1.00 0.00 C ATOM 564 CG PRO A 37 -4.525 16.793 3.853 1.00 0.00 C ATOM 565 CD PRO A 37 -3.140 17.328 4.104 1.00 0.00 C ATOM 0 HA PRO A 37 -4.203 18.182 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.683 18.596 3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.077 17.507 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.017 16.523 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.493 15.894 3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.069 17.824 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.394 16.533 4.098 1.00 0.00 H new ATOM 573 N LYS A 38 -5.030 20.461 1.031 1.00 0.00 N ATOM 574 CA LYS A 38 -5.418 21.852 0.826 1.00 0.00 C ATOM 575 C LYS A 38 -6.819 22.122 1.360 1.00 0.00 C ATOM 576 O LYS A 38 -7.774 22.232 0.593 1.00 0.00 O ATOM 577 CB LYS A 38 -5.344 22.214 -0.658 1.00 0.00 C ATOM 578 CG LYS A 38 -3.945 22.135 -1.255 1.00 0.00 C ATOM 579 CD LYS A 38 -3.957 22.482 -2.737 1.00 0.00 C ATOM 580 CE LYS A 38 -2.549 22.481 -3.316 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.546 22.809 -4.768 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.262 19.840 0.256 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.718 22.477 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.002 21.547 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.727 23.226 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.282 22.818 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.545 21.131 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.575 21.764 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.411 23.463 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.935 23.204 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.095 21.502 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.569 22.798 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.111 22.105 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.956 23.754 -4.911 1.00 0.00 H new ATOM 595 N ILE A 39 -6.932 22.217 2.682 1.00 0.00 N ATOM 596 CA ILE A 39 -8.234 22.273 3.337 1.00 0.00 C ATOM 597 C ILE A 39 -9.192 23.184 2.579 1.00 0.00 C ATOM 598 O ILE A 39 -8.921 24.371 2.394 1.00 0.00 O ATOM 599 CB ILE A 39 -8.114 22.765 4.791 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.438 21.702 5.660 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.485 23.119 5.348 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.092 22.180 7.053 1.00 0.00 C ATOM 0 H ILE A 39 -6.137 22.257 3.320 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.629 21.257 3.339 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.497 23.663 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.096 20.836 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.527 21.367 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.382 23.465 6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.931 23.908 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.126 22.238 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.616 21.371 7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.408 23.026 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -8.002 22.488 7.569 1.00 0.00 H new ATOM 614 N TYR A 40 -10.316 22.622 2.144 1.00 0.00 N ATOM 615 CA TYR A 40 -11.381 23.408 1.537 1.00 0.00 C ATOM 616 C TYR A 40 -12.609 23.462 2.437 1.00 0.00 C ATOM 617 O TYR A 40 -12.870 22.532 3.200 1.00 0.00 O ATOM 618 CB TYR A 40 -11.757 22.833 0.170 1.00 0.00 C ATOM 619 CG TYR A 40 -10.636 22.883 -0.845 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.204 24.093 -1.368 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.016 21.720 -1.279 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.182 24.145 -2.295 1.00 0.00 C ATOM 623 CE2 TYR A 40 -8.991 21.760 -2.205 1.00 0.00 C ATOM 624 CZ TYR A 40 -8.578 22.976 -2.712 1.00 0.00 C ATOM 625 OH TYR A 40 -7.559 23.022 -3.636 1.00 0.00 O ATOM 0 H TYR A 40 -10.511 21.623 2.202 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.011 24.425 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.073 21.798 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.613 23.382 -0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.675 25.010 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.340 20.767 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.857 25.095 -2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.516 20.846 -2.530 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.243 22.113 -3.820 1.00 0.00 H new ATOM 635 N TRP A 41 -13.362 24.552 2.340 1.00 0.00 N ATOM 636 CA TRP A 41 -14.583 24.713 3.122 1.00 0.00 C ATOM 637 C TRP A 41 -15.803 24.826 2.219 1.00 0.00 C ATOM 638 O TRP A 41 -15.757 25.469 1.172 1.00 0.00 O ATOM 639 CB TRP A 41 -14.481 25.946 4.023 1.00 0.00 C ATOM 640 CG TRP A 41 -13.435 25.823 5.089 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.118 26.154 4.981 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.619 25.335 6.424 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.468 25.903 6.164 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.370 25.400 7.067 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.722 24.849 7.137 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.189 24.999 8.382 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.540 24.448 8.456 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.311 24.523 9.060 1.00 0.00 C ATOM 0 H TRP A 41 -13.148 25.339 1.727 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.701 23.826 3.745 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.261 26.818 3.408 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.448 26.124 4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.652 26.556 4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.477 26.064 6.342 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.695 24.787 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.222 25.053 8.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.383 24.070 9.016 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.209 24.205 10.087 1.00 0.00 H new ATOM 659 N PHE A 42 -16.898 24.195 2.632 1.00 0.00 N ATOM 660 CA PHE A 42 -18.193 24.416 2.004 1.00 0.00 C ATOM 661 C PHE A 42 -19.334 24.145 2.977 1.00 0.00 C ATOM 662 O PHE A 42 -19.232 23.272 3.839 1.00 0.00 O ATOM 663 CB PHE A 42 -18.341 23.536 0.761 1.00 0.00 C ATOM 664 CG PHE A 42 -18.199 22.066 1.040 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.948 21.473 1.089 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.318 21.276 1.253 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.816 20.122 1.344 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.189 19.924 1.510 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.938 19.347 1.555 1.00 0.00 C ATOM 0 H PHE A 42 -16.912 23.525 3.401 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.244 25.463 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.317 23.719 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.592 23.831 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.066 22.074 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.301 21.722 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.835 19.672 1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.069 19.320 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.836 18.291 1.755 1.00 0.00 H new ATOM 679 N LYS A 43 -20.417 24.902 2.833 1.00 0.00 N ATOM 680 CA LYS A 43 -21.517 24.849 3.791 1.00 0.00 C ATOM 681 C LYS A 43 -22.752 24.199 3.177 1.00 0.00 C ATOM 682 O LYS A 43 -23.394 24.774 2.299 1.00 0.00 O ATOM 683 CB LYS A 43 -21.859 26.253 4.293 1.00 0.00 C ATOM 684 CG LYS A 43 -22.758 26.282 5.521 1.00 0.00 C ATOM 685 CD LYS A 43 -24.227 26.352 5.131 1.00 0.00 C ATOM 686 CE LYS A 43 -25.111 26.623 6.340 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.548 26.383 6.044 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.557 25.558 2.065 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.194 24.240 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.932 26.778 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.346 26.804 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.582 25.391 6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.503 27.142 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.371 27.138 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.526 25.414 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.800 25.985 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.975 27.655 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.103 26.480 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.879 27.078 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.668 25.423 5.662 1.00 0.00 H new ATOM 701 N ASP A 44 -23.075 22.995 3.639 1.00 0.00 N ATOM 702 CA ASP A 44 -24.190 22.237 3.089 1.00 0.00 C ATOM 703 C ASP A 44 -24.069 22.104 1.578 1.00 0.00 C ATOM 704 O ASP A 44 -25.075 22.097 0.863 1.00 0.00 O ATOM 705 CB ASP A 44 -25.521 22.899 3.454 1.00 0.00 C ATOM 706 CG ASP A 44 -25.879 22.820 4.932 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.205 22.120 5.651 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.720 23.573 5.361 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.578 22.524 4.395 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.162 21.238 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.485 23.947 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.317 22.431 2.874 1.00 0.00 H new ATOM 713 N GLY A 45 -22.840 21.998 1.091 1.00 0.00 N ATOM 714 CA GLY A 45 -22.590 21.786 -0.329 1.00 0.00 C ATOM 715 C GLY A 45 -22.296 23.104 -1.037 1.00 0.00 C ATOM 716 O GLY A 45 -22.050 23.128 -2.242 1.00 0.00 O ATOM 0 H GLY A 45 -21.996 22.056 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.748 21.106 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.457 21.309 -0.787 1.00 0.00 H new ATOM 720 N LYS A 46 -22.321 24.196 -0.279 1.00 0.00 N ATOM 721 CA LYS A 46 -22.089 25.520 -0.841 1.00 0.00 C ATOM 722 C LYS A 46 -20.630 25.933 -0.688 1.00 0.00 C ATOM 723 O LYS A 46 -20.207 26.374 0.381 1.00 0.00 O ATOM 724 CB LYS A 46 -23.001 26.552 -0.174 1.00 0.00 C ATOM 725 CG LYS A 46 -24.489 26.295 -0.370 1.00 0.00 C ATOM 726 CD LYS A 46 -25.330 27.307 0.394 1.00 0.00 C ATOM 727 CE LYS A 46 -26.817 27.078 0.166 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.647 28.139 0.797 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.500 24.189 0.725 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.322 25.478 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.786 26.573 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.760 27.540 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.732 26.344 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.734 25.288 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.109 27.236 1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.063 28.316 0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.019 27.048 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.101 26.107 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.653 27.945 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.474 28.151 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.395 29.063 0.392 1.00 0.00 H new ATOM 742 N GLN A 47 -19.864 25.788 -1.764 1.00 0.00 N ATOM 743 CA GLN A 47 -18.440 26.108 -1.742 1.00 0.00 C ATOM 744 C GLN A 47 -18.200 27.505 -1.187 1.00 0.00 C ATOM 745 O GLN A 47 -18.811 28.475 -1.634 1.00 0.00 O ATOM 746 CB GLN A 47 -17.844 26.002 -3.149 1.00 0.00 C ATOM 747 CG GLN A 47 -16.340 26.209 -3.205 1.00 0.00 C ATOM 748 CD GLN A 47 -15.790 26.072 -4.612 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.544 25.911 -5.576 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.469 26.131 -4.738 1.00 0.00 N ATOM 0 H GLN A 47 -20.205 25.450 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.948 25.386 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.080 25.020 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.325 26.739 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.097 27.199 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.852 25.483 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.884 26.265 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.040 26.042 -5.659 1.00 0.00 H new ATOM 759 N ILE A 48 -17.306 27.602 -0.208 1.00 0.00 N ATOM 760 CA ILE A 48 -16.998 28.878 0.427 1.00 0.00 C ATOM 761 C ILE A 48 -15.708 29.467 -0.123 1.00 0.00 C ATOM 762 O ILE A 48 -14.657 28.825 -0.091 1.00 0.00 O ATOM 763 CB ILE A 48 -16.875 28.735 1.955 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.207 28.279 2.557 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.428 30.048 2.578 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.115 27.881 4.012 1.00 0.00 C ATOM 0 H ILE A 48 -16.781 26.810 0.163 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.827 29.549 0.201 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.121 27.978 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.935 29.084 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.584 27.433 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.346 29.929 3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.458 30.333 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.159 30.825 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.098 27.570 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.412 27.055 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.769 28.731 4.600 1.00 0.00 H new ATOM 778 N SER A 49 -15.787 30.697 -0.620 1.00 0.00 N ATOM 779 CA SER A 49 -14.606 31.417 -1.077 1.00 0.00 C ATOM 780 C SER A 49 -13.953 32.189 0.063 1.00 0.00 C ATOM 781 O SER A 49 -14.635 32.852 0.845 1.00 0.00 O ATOM 782 CB SER A 49 -14.973 32.356 -2.210 1.00 0.00 C ATOM 783 OG SER A 49 -13.892 33.155 -2.603 1.00 0.00 O ATOM 0 H SER A 49 -16.660 31.216 -0.716 1.00 0.00 H new ATOM 0 HA SER A 49 -13.884 30.686 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.323 31.775 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.800 32.994 -1.898 1.00 0.00 H new ATOM 0 HG SER A 49 -14.170 33.744 -3.336 1.00 0.00 H new ATOM 789 N PRO A 50 -12.631 32.092 0.157 1.00 0.00 N ATOM 790 CA PRO A 50 -11.883 32.808 1.182 1.00 0.00 C ATOM 791 C PRO A 50 -12.182 34.301 1.145 1.00 0.00 C ATOM 792 O PRO A 50 -12.268 34.899 0.071 1.00 0.00 O ATOM 793 CB PRO A 50 -10.416 32.505 0.855 1.00 0.00 C ATOM 794 CG PRO A 50 -10.460 31.206 0.123 1.00 0.00 C ATOM 795 CD PRO A 50 -11.729 31.247 -0.686 1.00 0.00 C ATOM 0 HA PRO A 50 -12.148 32.495 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.975 33.291 0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.814 32.431 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.588 31.087 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.462 30.364 0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.567 31.686 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.140 30.250 -0.845 1.00 0.00 H new ATOM 803 N LYS A 51 -12.339 34.898 2.320 1.00 0.00 N ATOM 804 CA LYS A 51 -12.583 36.331 2.423 1.00 0.00 C ATOM 805 C LYS A 51 -13.841 36.734 1.664 1.00 0.00 C ATOM 806 O LYS A 51 -13.797 37.583 0.775 1.00 0.00 O ATOM 807 CB LYS A 51 -11.380 37.118 1.901 1.00 0.00 C ATOM 808 CG LYS A 51 -10.090 36.883 2.677 1.00 0.00 C ATOM 809 CD LYS A 51 -8.946 37.712 2.113 1.00 0.00 C ATOM 810 CE LYS A 51 -7.660 37.486 2.893 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.513 38.231 2.305 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.302 34.411 3.216 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.732 36.567 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.214 36.855 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.617 38.181 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.243 37.137 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.828 35.826 2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.789 37.453 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.211 38.769 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.804 37.799 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.429 36.421 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.657 38.049 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.359 37.915 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.721 39.250 2.311 1.00 0.00 H new ATOM 825 N SER A 52 -14.961 36.117 2.020 1.00 0.00 N ATOM 826 CA SER A 52 -16.239 36.426 1.392 1.00 0.00 C ATOM 827 C SER A 52 -17.017 37.456 2.200 1.00 0.00 C ATOM 828 O SER A 52 -16.447 38.162 3.034 1.00 0.00 O ATOM 829 CB SER A 52 -17.057 35.161 1.222 1.00 0.00 C ATOM 830 OG SER A 52 -18.188 35.367 0.422 1.00 0.00 O ATOM 0 H SER A 52 -15.010 35.398 2.742 1.00 0.00 H new ATOM 0 HA SER A 52 -16.039 36.854 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.435 34.385 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.368 34.797 2.201 1.00 0.00 H new ATOM 0 HG SER A 52 -18.686 34.527 0.337 1.00 0.00 H new ATOM 836 N ASP A 53 -18.317 37.543 1.944 1.00 0.00 N ATOM 837 CA ASP A 53 -19.165 38.520 2.616 1.00 0.00 C ATOM 838 C ASP A 53 -19.070 38.388 4.130 1.00 0.00 C ATOM 839 O ASP A 53 -18.936 39.378 4.844 1.00 0.00 O ATOM 840 CB ASP A 53 -20.619 38.366 2.164 1.00 0.00 C ATOM 841 CG ASP A 53 -20.892 38.847 0.745 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.043 39.501 0.187 1.00 0.00 O ATOM 843 OD2 ASP A 53 -21.872 38.428 0.176 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.807 36.948 1.276 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.811 39.513 2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -20.900 37.316 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.261 38.918 2.851 1.00 0.00 H new ATOM 848 N HIS A 54 -19.146 37.152 4.614 1.00 0.00 N ATOM 849 CA HIS A 54 -19.066 36.883 6.045 1.00 0.00 C ATOM 850 C HIS A 54 -18.164 35.691 6.335 1.00 0.00 C ATOM 851 O HIS A 54 -17.902 35.365 7.493 1.00 0.00 O ATOM 852 CB HIS A 54 -20.462 36.635 6.627 1.00 0.00 C ATOM 853 CG HIS A 54 -21.379 37.811 6.508 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.248 38.939 7.291 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.444 38.035 5.701 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.191 39.807 6.968 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.929 39.282 6.008 1.00 0.00 N ATOM 0 H HIS A 54 -19.263 36.320 4.035 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.634 37.763 6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.912 35.782 6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.365 36.365 7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.838 37.359 4.956 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.333 40.780 7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.731 39.731 5.565 1.00 0.00 H new ATOM 865 N TYR A 55 -17.693 35.042 5.275 1.00 0.00 N ATOM 866 CA TYR A 55 -16.935 33.802 5.411 1.00 0.00 C ATOM 867 C TYR A 55 -15.465 34.020 5.088 1.00 0.00 C ATOM 868 O TYR A 55 -15.059 34.005 3.926 1.00 0.00 O ATOM 869 CB TYR A 55 -17.516 32.717 4.502 1.00 0.00 C ATOM 870 CG TYR A 55 -18.906 32.265 4.895 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.385 32.473 6.181 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.735 31.635 3.980 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.653 32.063 6.546 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.004 31.222 4.334 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.460 31.436 5.617 1.00 0.00 C ATOM 876 OH TYR A 55 -22.725 31.028 5.973 1.00 0.00 O ATOM 0 H TYR A 55 -17.822 35.354 4.312 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.013 33.475 6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.542 33.091 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.849 31.855 4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.756 32.964 6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.382 31.464 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.011 32.232 7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.637 30.733 3.608 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.255 31.806 6.247 1.00 0.00 H new ATOM 886 N THR A 56 -14.658 34.221 6.131 1.00 0.00 N ATOM 887 CA THR A 56 -13.232 34.460 5.961 1.00 0.00 C ATOM 888 C THR A 56 -12.426 33.195 6.222 1.00 0.00 C ATOM 889 O THR A 56 -12.482 32.622 7.312 1.00 0.00 O ATOM 890 CB THR A 56 -12.730 35.576 6.895 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.419 36.798 6.598 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.234 35.787 6.720 1.00 0.00 C ATOM 0 H THR A 56 -14.972 34.222 7.101 1.00 0.00 H new ATOM 0 HA THR A 56 -13.089 34.772 4.927 1.00 0.00 H new ATOM 0 HB THR A 56 -12.926 35.281 7.926 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.100 37.507 7.194 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.898 36.580 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.706 34.864 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.025 36.069 5.688 1.00 0.00 H new ATOM 900 N ILE A 57 -11.678 32.756 5.215 1.00 0.00 N ATOM 901 CA ILE A 57 -10.847 31.563 5.338 1.00 0.00 C ATOM 902 C ILE A 57 -9.375 31.927 5.458 1.00 0.00 C ATOM 903 O ILE A 57 -8.826 32.634 4.613 1.00 0.00 O ATOM 904 CB ILE A 57 -11.033 30.617 4.136 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.480 30.122 4.067 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.070 29.443 4.229 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.800 29.348 2.809 1.00 0.00 C ATOM 0 H ILE A 57 -11.630 33.209 4.303 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.168 31.051 6.245 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.813 31.169 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.680 29.490 4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.151 30.978 4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.215 28.785 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.045 29.813 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.260 28.889 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.842 29.030 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.634 29.983 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.155 28.471 2.747 1.00 0.00 H new ATOM 919 N GLN A 58 -8.734 31.442 6.519 1.00 0.00 N ATOM 920 CA GLN A 58 -7.293 31.586 6.675 1.00 0.00 C ATOM 921 C GLN A 58 -6.602 30.228 6.687 1.00 0.00 C ATOM 922 O GLN A 58 -6.705 29.474 7.656 1.00 0.00 O ATOM 923 CB GLN A 58 -6.968 32.343 7.966 1.00 0.00 C ATOM 924 CG GLN A 58 -5.482 32.514 8.229 1.00 0.00 C ATOM 925 CD GLN A 58 -4.810 33.404 7.201 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.245 34.532 6.958 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.747 32.898 6.587 1.00 0.00 N ATOM 0 H GLN A 58 -9.193 30.946 7.283 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.922 32.154 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.434 33.327 7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.416 31.814 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.338 32.939 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.001 31.536 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.422 31.960 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.255 33.448 5.882 1.00 0.00 H new ATOM 936 N ARG A 59 -5.895 29.920 5.603 1.00 0.00 N ATOM 937 CA ARG A 59 -5.257 28.622 5.448 1.00 0.00 C ATOM 938 C ARG A 59 -3.767 28.702 5.752 1.00 0.00 C ATOM 939 O ARG A 59 -2.973 29.128 4.912 1.00 0.00 O ATOM 940 CB ARG A 59 -5.514 28.015 4.077 1.00 0.00 C ATOM 941 CG ARG A 59 -5.015 26.590 3.903 1.00 0.00 C ATOM 942 CD ARG A 59 -5.171 26.050 2.528 1.00 0.00 C ATOM 943 NE ARG A 59 -6.546 25.978 2.061 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.091 26.814 1.156 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.396 27.807 0.647 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.352 26.623 0.810 1.00 0.00 N ATOM 0 H ARG A 59 -5.751 30.556 4.818 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.712 27.952 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.586 28.035 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.041 28.644 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.961 26.551 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.551 25.943 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.599 26.672 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.736 25.051 2.492 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.140 25.243 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.429 27.954 0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.824 28.431 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.885 25.859 1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.792 27.240 0.127 1.00 0.00 H new ATOM 960 N ASP A 60 -3.389 28.288 6.958 1.00 0.00 N ATOM 961 CA ASP A 60 -1.981 28.189 7.329 1.00 0.00 C ATOM 962 C ASP A 60 -1.341 26.941 6.731 1.00 0.00 C ATOM 963 O ASP A 60 -1.859 25.835 6.877 1.00 0.00 O ATOM 964 CB ASP A 60 -1.828 28.181 8.852 1.00 0.00 C ATOM 965 CG ASP A 60 -0.385 28.208 9.339 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.499 28.102 8.523 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.175 28.490 10.494 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.039 28.015 7.696 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.467 29.062 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.353 29.043 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.316 27.291 9.249 1.00 0.00 H new ATOM 972 N LEU A 61 -0.212 27.126 6.054 1.00 0.00 N ATOM 973 CA LEU A 61 0.440 26.040 5.336 1.00 0.00 C ATOM 974 C LEU A 61 0.976 24.987 6.297 1.00 0.00 C ATOM 975 O LEU A 61 1.338 23.885 5.888 1.00 0.00 O ATOM 976 CB LEU A 61 1.573 26.589 4.460 1.00 0.00 C ATOM 977 CG LEU A 61 1.126 27.499 3.309 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.343 28.056 2.581 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.239 26.714 2.354 1.00 0.00 C ATOM 0 H LEU A 61 0.271 28.022 5.989 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.303 25.563 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.264 27.145 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.128 25.749 4.043 1.00 0.00 H new ATOM 0 HG LEU A 61 0.555 28.337 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.016 28.701 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.951 28.633 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.934 27.233 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.078 27.362 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.797 25.868 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.638 26.349 2.889 1.00 0.00 H new ATOM 991 N ASP A 62 1.029 25.337 7.580 1.00 0.00 N ATOM 992 CA ASP A 62 1.458 24.401 8.611 1.00 0.00 C ATOM 993 C ASP A 62 0.541 23.187 8.668 1.00 0.00 C ATOM 994 O ASP A 62 0.969 22.090 9.033 1.00 0.00 O ATOM 995 CB ASP A 62 1.502 25.092 9.977 1.00 0.00 C ATOM 996 CG ASP A 62 2.284 24.333 11.041 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.459 24.126 10.850 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.745 24.106 12.097 1.00 0.00 O1- ATOM 0 H ASP A 62 0.780 26.263 7.929 1.00 0.00 H new ATOM 0 HA ASP A 62 2.461 24.059 8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.943 26.081 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.481 25.239 10.329 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.722 23.388 8.310 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.682 22.291 8.248 1.00 0.00 C ATOM 1005 C GLY A 63 -2.988 22.669 8.939 1.00 0.00 C ATOM 1006 O GLY A 63 -3.929 21.878 8.983 1.00 0.00 O ATOM 0 H GLY A 63 -1.105 24.299 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.878 22.033 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.259 21.405 8.722 1.00 0.00 H new ATOM 1010 N THR A 64 -3.040 23.882 9.474 1.00 0.00 N ATOM 1011 CA THR A 64 -4.245 24.385 10.129 1.00 0.00 C ATOM 1012 C THR A 64 -4.935 25.442 9.278 1.00 0.00 C ATOM 1013 O THR A 64 -4.288 26.338 8.739 1.00 0.00 O ATOM 1014 CB THR A 64 -3.929 24.982 11.513 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.364 23.969 12.356 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.193 25.527 12.159 1.00 0.00 C ATOM 0 H THR A 64 -2.260 24.539 9.468 1.00 0.00 H new ATOM 0 HA THR A 64 -4.912 23.532 10.255 1.00 0.00 H new ATOM 0 HB THR A 64 -3.217 25.797 11.387 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.162 24.351 13.236 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.951 25.945 13.136 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.618 26.306 11.526 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.917 24.721 12.278 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.255 25.328 9.160 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.045 26.332 8.455 1.00 0.00 C ATOM 1026 C CYS A 65 -8.284 26.715 9.258 1.00 0.00 C ATOM 1027 O CYS A 65 -8.983 25.852 9.790 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.439 25.610 7.167 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.234 26.664 5.931 1.00 0.00 S ATOM 0 H CYS A 65 -6.798 24.554 9.542 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.504 27.263 8.284 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.546 25.165 6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.114 24.791 7.416 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.525 25.957 4.880 1.00 0.00 H new ATOM 1035 N SER A 66 -8.550 28.013 9.341 1.00 0.00 N ATOM 1036 CA SER A 66 -9.645 28.521 10.161 1.00 0.00 C ATOM 1037 C SER A 66 -10.710 29.191 9.303 1.00 0.00 C ATOM 1038 O SER A 66 -10.397 29.914 8.358 1.00 0.00 O ATOM 1039 CB SER A 66 -9.114 29.492 11.198 1.00 0.00 C ATOM 1040 OG SER A 66 -10.145 30.102 11.924 1.00 0.00 O ATOM 0 H SER A 66 -8.022 28.735 8.850 1.00 0.00 H new ATOM 0 HA SER A 66 -10.108 27.676 10.671 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.452 28.963 11.884 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.516 30.258 10.704 1.00 0.00 H new ATOM 0 HG SER A 66 -10.897 29.479 12.011 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.973 28.947 9.641 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.086 29.631 8.988 1.00 0.00 C ATOM 1048 C LEU A 67 -13.848 30.502 9.976 1.00 0.00 C ATOM 1049 O LEU A 67 -14.448 30.001 10.926 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.028 28.611 8.337 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.317 29.198 7.746 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.979 30.212 6.663 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.176 28.075 7.185 1.00 0.00 C ATOM 0 H LEU A 67 -12.252 28.282 10.362 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.678 30.279 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.486 28.094 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.297 27.861 9.081 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.877 29.710 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.900 30.623 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.383 31.017 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.412 29.723 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.091 28.492 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.625 27.551 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.428 27.376 7.983 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.820 31.812 9.748 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.538 32.753 10.598 1.00 0.00 C ATOM 1067 C HIS A 68 -15.846 33.195 9.951 1.00 0.00 C ATOM 1068 O HIS A 68 -15.866 33.600 8.788 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.666 33.975 10.907 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.403 35.079 11.600 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.827 34.983 12.910 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.791 36.302 11.168 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.443 36.100 13.252 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.436 36.916 12.213 1.00 0.00 N ATOM 0 H HIS A 68 -13.307 32.245 8.980 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.774 32.242 11.531 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.827 33.664 11.529 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.248 34.357 9.976 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.624 36.717 10.185 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.879 36.311 14.217 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.844 37.851 12.191 1.00 0.00 H new ATOM 1082 N THR A 69 -16.932 33.115 10.711 1.00 0.00 N ATOM 1083 CA THR A 69 -18.212 33.671 10.280 1.00 0.00 C ATOM 1084 C THR A 69 -18.507 34.984 10.992 1.00 0.00 C ATOM 1085 O THR A 69 -18.667 35.018 12.212 1.00 0.00 O ATOM 1086 CB THR A 69 -19.370 32.690 10.534 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.157 31.488 9.781 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.696 33.312 10.125 1.00 0.00 C ATOM 0 H THR A 69 -16.953 32.671 11.629 1.00 0.00 H new ATOM 0 HA THR A 69 -18.131 33.851 9.208 1.00 0.00 H new ATOM 0 HB THR A 69 -19.402 32.459 11.599 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.547 31.588 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.503 32.604 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.867 34.219 10.706 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.670 33.560 9.064 1.00 0.00 H new ATOM 1096 N THR A 70 -18.574 36.066 10.224 1.00 0.00 N ATOM 1097 CA THR A 70 -18.748 37.399 10.790 1.00 0.00 C ATOM 1098 C THR A 70 -20.139 37.568 11.386 1.00 0.00 C ATOM 1099 O THR A 70 -20.300 38.171 12.451 1.00 0.00 O ATOM 1100 CB THR A 70 -18.519 38.496 9.735 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.166 38.432 9.263 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.777 39.872 10.329 1.00 0.00 C ATOM 0 H THR A 70 -18.510 36.046 9.206 1.00 0.00 H new ATOM 0 HA THR A 70 -18.002 37.503 11.578 1.00 0.00 H new ATOM 0 HB THR A 70 -19.210 38.333 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.021 39.129 8.590 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.610 40.634 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.807 39.929 10.680 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.099 40.040 11.166 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.141 37.029 10.700 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.527 37.168 11.134 1.00 0.00 C ATOM 1112 C ALA A 71 -23.279 35.852 10.996 1.00 0.00 C ATOM 1113 O ALA A 71 -24.007 35.640 10.026 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.221 38.264 10.338 1.00 0.00 C ATOM 0 H ALA A 71 -21.020 36.492 9.841 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.527 37.445 12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.254 38.357 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.703 39.210 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.204 38.010 9.278 1.00 0.00 H new ATOM 1120 N SER A 72 -23.103 34.972 11.976 1.00 0.00 N ATOM 1121 CA SER A 72 -23.767 33.673 11.969 1.00 0.00 C ATOM 1122 C SER A 72 -25.233 33.802 12.356 1.00 0.00 C ATOM 1123 O SER A 72 -25.559 34.038 13.518 1.00 0.00 O ATOM 1124 CB SER A 72 -23.055 32.717 12.907 1.00 0.00 C ATOM 1125 OG SER A 72 -23.672 31.459 12.945 1.00 0.00 O ATOM 0 H SER A 72 -22.505 35.135 12.786 1.00 0.00 H new ATOM 0 HA SER A 72 -23.722 33.275 10.955 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.019 32.603 12.589 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.036 33.141 13.911 1.00 0.00 H new ATOM 0 HG SER A 72 -23.182 30.873 13.559 1.00 0.00 H new ATOM 1131 N THR A 73 -26.116 33.643 11.374 1.00 0.00 N ATOM 1132 CA THR A 73 -27.550 33.743 11.612 1.00 0.00 C ATOM 1133 C THR A 73 -28.248 32.417 11.338 1.00 0.00 C ATOM 1134 O THR A 73 -27.602 31.416 11.028 1.00 0.00 O ATOM 1135 CB THR A 73 -28.192 34.839 10.741 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.095 34.473 9.359 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.492 36.172 10.959 1.00 0.00 C ATOM 0 H THR A 73 -25.862 33.444 10.406 1.00 0.00 H new ATOM 0 HA THR A 73 -27.676 34.006 12.662 1.00 0.00 H new ATOM 0 HB THR A 73 -29.240 34.940 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.166 34.248 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.959 36.934 10.335 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.575 36.459 12.007 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.440 36.078 10.691 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.572 32.415 11.462 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.354 31.200 11.270 1.00 0.00 C ATOM 1147 C LEU A 74 -30.252 30.693 9.839 1.00 0.00 C ATOM 1148 O LEU A 74 -30.430 29.504 9.577 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.820 31.450 11.642 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.078 31.733 13.127 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.542 32.093 13.344 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.696 30.512 13.950 1.00 0.00 C ATOM 0 H LEU A 74 -30.124 33.240 11.694 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.945 30.431 11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.187 32.294 11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.406 30.580 11.347 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.468 32.578 13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.715 32.292 14.402 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.788 32.981 12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.172 31.263 13.023 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.879 30.713 15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.295 29.658 13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.639 30.289 13.801 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.957 31.602 8.914 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.719 31.232 7.526 1.00 0.00 C ATOM 1166 C ASP A 75 -28.318 30.652 7.345 1.00 0.00 C ATOM 1167 O ASP A 75 -28.037 29.989 6.347 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.913 32.441 6.608 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.362 32.880 6.444 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.234 32.130 6.811 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.581 34.017 6.101 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.877 32.601 9.103 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.444 30.464 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.335 33.277 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.504 32.205 5.626 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.449 30.907 8.316 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.089 30.383 8.284 1.00 0.00 C ATOM 1178 C ASP A 76 -25.978 29.084 9.072 1.00 0.00 C ATOM 1179 O ASP A 76 -25.010 28.339 8.928 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.103 31.417 8.834 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.061 32.724 8.048 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.819 32.673 6.866 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.420 33.736 8.600 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.662 31.474 9.136 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.839 30.172 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.365 31.637 9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.104 30.980 8.844 1.00 0.00 H new ATOM 1188 N ASP A 77 -26.979 28.820 9.906 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.072 27.544 10.606 1.00 0.00 C ATOM 1190 C ASP A 77 -27.035 26.375 9.632 1.00 0.00 C ATOM 1191 O ASP A 77 -27.790 26.338 8.660 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.352 27.486 11.448 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.481 26.241 12.314 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.838 25.263 12.012 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.093 26.324 13.351 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.736 29.472 10.113 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.208 27.464 11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.390 28.366 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.213 27.541 10.782 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.149 25.419 9.896 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.968 24.276 9.009 1.00 0.00 C ATOM 1202 C GLY A 78 -24.593 23.646 9.195 1.00 0.00 C ATOM 1203 O GLY A 78 -23.915 23.894 10.190 1.00 0.00 O ATOM 0 H GLY A 78 -25.545 25.414 10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.741 23.533 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.088 24.594 7.973 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.185 22.832 8.227 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.950 22.067 8.342 1.00 0.00 C ATOM 1209 C ASN A 79 -21.852 22.663 7.471 1.00 0.00 C ATOM 1210 O ASN A 79 -21.882 22.540 6.245 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.167 20.607 7.990 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.175 19.916 8.867 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.018 19.845 10.091 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.165 19.335 8.240 1.00 0.00 N ATOM 0 H ASN A 79 -24.692 22.685 7.354 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.632 22.121 9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.493 20.537 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.215 20.080 8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.852 18.793 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.250 19.424 7.227 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.883 23.310 8.108 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.724 23.845 7.401 1.00 0.00 C ATOM 1223 C TYR A 80 -18.703 22.755 7.110 1.00 0.00 C ATOM 1224 O TYR A 80 -17.616 22.739 7.688 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.075 24.968 8.212 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.908 26.229 8.289 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -20.970 26.328 9.177 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.629 27.317 7.476 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.734 27.476 9.251 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.386 28.471 7.543 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.438 28.547 8.432 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.194 29.694 8.503 1.00 0.00 O ATOM 0 H TYR A 80 -20.876 23.477 9.114 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.072 24.248 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.883 24.609 9.223 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.108 25.209 7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.203 25.493 9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.806 27.262 6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.559 27.536 9.946 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.155 29.309 6.902 1.00 0.00 H new ATOM 0 HH TYR A 80 -22.287 30.081 7.607 1.00 0.00 H new ATOM 1242 N THR A 81 -19.058 21.841 6.213 1.00 0.00 N ATOM 1243 CA THR A 81 -18.267 20.638 5.988 1.00 0.00 C ATOM 1244 C THR A 81 -16.882 20.981 5.457 1.00 0.00 C ATOM 1245 O THR A 81 -16.741 21.781 4.530 1.00 0.00 O ATOM 1246 CB THR A 81 -18.961 19.682 5.000 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.260 19.336 5.498 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.140 18.415 4.817 1.00 0.00 C ATOM 0 H THR A 81 -19.891 21.912 5.629 1.00 0.00 H new ATOM 0 HA THR A 81 -18.170 20.141 6.953 1.00 0.00 H new ATOM 0 HB THR A 81 -19.054 20.185 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.701 18.729 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.646 17.752 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.155 18.673 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.029 17.911 5.777 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.859 20.373 6.046 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.482 20.631 5.648 1.00 0.00 C ATOM 1258 C ILE A 82 -13.878 19.423 4.941 1.00 0.00 C ATOM 1259 O ILE A 82 -14.098 18.281 5.344 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.603 20.998 6.858 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.121 20.936 6.480 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.896 20.073 8.029 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.190 21.384 7.583 1.00 0.00 C ATOM 0 H ILE A 82 -15.959 19.696 6.803 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.507 21.476 4.960 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.838 22.018 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.870 19.913 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.954 21.558 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.266 20.347 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.944 20.165 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.688 19.043 7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.158 21.312 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.412 22.417 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.327 20.746 8.456 1.00 0.00 H new ATOM 1275 N MET A 83 -13.116 19.682 3.883 1.00 0.00 N ATOM 1276 CA MET A 83 -12.564 18.616 3.055 1.00 0.00 C ATOM 1277 C MET A 83 -11.043 18.662 3.041 1.00 0.00 C ATOM 1278 O MET A 83 -10.444 19.656 2.627 1.00 0.00 O ATOM 1279 CB MET A 83 -13.108 18.718 1.631 1.00 0.00 C ATOM 1280 CG MET A 83 -12.618 17.627 0.690 1.00 0.00 C ATOM 1281 SD MET A 83 -13.237 15.993 1.137 1.00 0.00 S ATOM 1282 CE MET A 83 -14.941 16.119 0.600 1.00 0.00 C ATOM 0 H MET A 83 -12.866 20.623 3.579 1.00 0.00 H new ATOM 0 HA MET A 83 -12.869 17.662 3.485 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.197 18.686 1.668 1.00 0.00 H new ATOM 0 HB3 MET A 83 -12.831 19.688 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.930 17.863 -0.327 1.00 0.00 H new ATOM 0 HG3 MET A 83 -11.528 17.612 0.694 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.400 15.130 0.610 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.487 16.779 1.274 1.00 0.00 H new ATOM 0 HE3 MET A 83 -14.975 16.525 -0.411 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.416 17.581 3.495 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.966 17.455 3.438 1.00 0.00 C ATOM 1294 C ALA A 84 -8.516 16.878 2.101 1.00 0.00 C ATOM 1295 O ALA A 84 -8.052 15.740 2.030 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.463 16.594 4.589 1.00 0.00 C ATOM 0 H ALA A 84 -10.892 16.779 3.907 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.536 18.452 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.378 16.509 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.742 17.054 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.908 15.601 4.523 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.654 17.671 1.042 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.355 17.209 -0.306 1.00 0.00 C ATOM 1304 C ALA A 85 -6.865 17.303 -0.606 1.00 0.00 C ATOM 1305 O ALA A 85 -6.274 18.381 -0.525 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.161 17.997 -1.328 1.00 0.00 C ATOM 0 H ALA A 85 -8.972 18.639 1.094 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.640 16.159 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.926 17.640 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.225 17.862 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.910 19.055 -1.252 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.264 16.172 -0.955 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.879 16.152 -1.416 1.00 0.00 C ATOM 1314 C ASN A 86 -4.672 15.091 -2.488 1.00 0.00 C ATOM 1315 O ASN A 86 -5.601 14.367 -2.847 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.913 15.930 -0.264 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.855 14.504 0.209 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.574 13.631 -0.293 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.063 14.280 1.226 1.00 0.00 N ATOM 0 H ASN A 86 -6.713 15.256 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.670 17.129 -1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.915 16.242 -0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.203 16.569 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.018 13.350 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.490 15.035 1.602 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.449 15.003 -2.999 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.142 14.106 -4.104 1.00 0.00 C ATOM 1328 C PRO A 87 -3.455 12.660 -3.744 1.00 0.00 C ATOM 1329 O PRO A 87 -3.711 11.829 -4.619 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.648 14.326 -4.362 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.392 15.717 -3.889 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.282 15.901 -2.688 1.00 0.00 C ATOM 0 HA PRO A 87 -3.742 14.310 -4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.040 13.603 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.406 14.215 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.343 15.856 -3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.625 16.445 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.781 15.609 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.591 16.939 -2.568 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.435 12.361 -2.450 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.528 10.986 -1.978 1.00 0.00 C ATOM 1342 C GLN A 88 -4.974 10.602 -1.680 1.00 0.00 C ATOM 1343 O GLN A 88 -5.263 9.461 -1.324 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.672 10.790 -0.724 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.201 11.115 -0.918 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.565 10.283 -2.016 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.727 9.061 -2.061 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.168 10.942 -2.906 1.00 0.00 N ATOM 0 H GLN A 88 -3.355 13.056 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.155 10.338 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.069 11.416 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.764 9.755 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.094 12.173 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.668 10.946 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.275 11.954 -2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.624 10.437 -3.666 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.877 11.565 -1.829 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.292 11.336 -1.566 1.00 0.00 C ATOM 1359 C GLY A 89 -7.923 12.527 -0.856 1.00 0.00 C ATOM 1360 O GLY A 89 -7.339 13.610 -0.804 1.00 0.00 O ATOM 0 H GLY A 89 -5.653 12.513 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.813 11.152 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.410 10.441 -0.955 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.116 12.318 -0.310 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.822 13.374 0.407 1.00 0.00 C ATOM 1366 C ARG A 90 -10.672 12.799 1.533 1.00 0.00 C ATOM 1367 O ARG A 90 -11.173 11.677 1.436 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.649 14.248 -0.524 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.806 13.538 -1.209 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.586 14.394 -2.139 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.772 13.758 -2.691 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.629 14.350 -3.545 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.461 15.600 -3.918 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.661 13.648 -3.981 1.00 0.00 N ATOM 0 H ARG A 90 -9.614 11.429 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.066 14.019 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.044 15.089 0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.992 14.662 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.416 12.683 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.478 13.145 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.886 15.300 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.938 14.701 -2.960 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.968 12.797 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.672 16.137 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.120 16.032 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.791 12.685 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.327 14.069 -4.628 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.831 13.574 2.603 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.651 13.156 3.734 1.00 0.00 C ATOM 1390 C VAL A 91 -12.606 14.264 4.160 1.00 0.00 C ATOM 1391 O VAL A 91 -12.209 15.421 4.294 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.785 12.748 4.940 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -11.661 12.286 6.095 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -9.805 11.653 4.547 1.00 0.00 C ATOM 0 H VAL A 91 -10.403 14.494 2.709 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.226 12.291 3.402 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.217 13.620 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.031 12.002 6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.325 13.097 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.255 11.428 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.201 11.377 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.356 10.780 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.154 12.015 3.751 1.00 0.00 H new ATOM 1404 N SER A 92 -13.865 13.903 4.372 1.00 0.00 N ATOM 1405 CA SER A 92 -14.883 14.867 4.775 1.00 0.00 C ATOM 1406 C SER A 92 -15.135 14.810 6.275 1.00 0.00 C ATOM 1407 O SER A 92 -15.210 13.728 6.863 1.00 0.00 O ATOM 1408 CB SER A 92 -16.171 14.616 4.015 1.00 0.00 C ATOM 1409 OG SER A 92 -17.219 15.424 4.474 1.00 0.00 O ATOM 0 H SER A 92 -14.207 12.947 4.271 1.00 0.00 H new ATOM 0 HA SER A 92 -14.517 15.865 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.008 14.803 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.452 13.567 4.114 1.00 0.00 H new ATOM 0 HG SER A 92 -18.030 15.233 3.958 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.265 15.978 6.893 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.659 16.066 8.296 1.00 0.00 C ATOM 1417 C CYS A 93 -16.702 17.155 8.510 1.00 0.00 C ATOM 1418 O CYS A 93 -16.560 18.271 8.008 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.348 16.432 8.992 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.487 16.648 10.783 1.00 0.00 S ATOM 0 H CYS A 93 -15.103 16.880 6.444 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.113 15.149 8.671 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.613 15.653 8.788 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.964 17.354 8.556 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.323 16.953 11.275 1.00 0.00 H new ATOM 1426 N THR A 94 -17.751 16.825 9.254 1.00 0.00 N ATOM 1427 CA THR A 94 -18.887 17.725 9.415 1.00 0.00 C ATOM 1428 C THR A 94 -18.523 18.921 10.286 1.00 0.00 C ATOM 1429 O THR A 94 -17.990 18.761 11.384 1.00 0.00 O ATOM 1430 CB THR A 94 -20.099 17.004 10.032 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.474 15.898 9.201 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.277 17.957 10.164 1.00 0.00 C ATOM 0 H THR A 94 -17.839 15.941 9.755 1.00 0.00 H new ATOM 0 HA THR A 94 -19.154 18.073 8.417 1.00 0.00 H new ATOM 0 HB THR A 94 -19.823 16.645 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.245 15.439 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.124 17.430 10.602 1.00 0.00 H new ATOM 0 HG22 THR A 94 -20.999 18.793 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.553 18.333 9.179 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.812 20.119 9.790 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.607 21.339 10.563 1.00 0.00 C ATOM 1442 C GLY A 95 -19.919 21.842 11.153 1.00 0.00 C ATOM 1443 O GLY A 95 -20.348 22.960 10.863 1.00 0.00 O ATOM 0 H GLY A 95 -19.189 20.272 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.893 21.150 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.173 22.109 9.925 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.550 21.015 11.977 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.890 21.301 12.473 1.00 0.00 C ATOM 1449 C ARG A 96 -21.917 22.591 13.283 1.00 0.00 C ATOM 1450 O ARG A 96 -21.355 22.659 14.375 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.468 20.137 13.263 1.00 0.00 C ATOM 1452 CG ARG A 96 -23.909 20.322 13.713 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.489 19.146 14.411 1.00 0.00 C ATOM 1454 NE ARG A 96 -25.876 19.310 14.818 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.572 18.411 15.541 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.031 17.270 15.906 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -27.823 18.697 15.853 1.00 0.00 N ATOM 0 H ARG A 96 -20.154 20.139 12.317 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.530 21.442 11.602 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.406 19.236 12.653 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.847 19.969 14.143 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.962 21.185 14.376 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.522 20.551 12.842 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.416 18.278 13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -23.887 18.930 15.294 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.355 20.165 14.536 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.070 17.054 15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.572 16.601 16.453 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.236 19.578 15.548 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.376 18.037 16.399 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.570 23.612 12.740 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.792 24.853 13.472 1.00 0.00 C ATOM 1473 C LEU A 97 -24.280 25.102 13.695 1.00 0.00 C ATOM 1474 O LEU A 97 -25.050 25.217 12.739 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.159 26.032 12.723 1.00 0.00 C ATOM 1476 CG LEU A 97 -20.760 26.436 13.203 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -19.712 25.518 12.590 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -20.493 27.886 12.827 1.00 0.00 C ATOM 0 H LEU A 97 -22.955 23.605 11.795 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.317 24.760 14.449 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -22.104 25.781 11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.819 26.895 12.812 1.00 0.00 H new ATOM 0 HG LEU A 97 -20.705 26.339 14.287 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.722 25.813 12.937 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -19.910 24.489 12.890 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.753 25.594 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -19.498 28.173 13.168 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.551 27.998 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.238 28.527 13.299 1.00 0.00 H new ATOM 1490 N MET A 98 -24.677 25.184 14.958 1.00 0.00 N ATOM 1491 CA MET A 98 -26.073 25.407 15.310 1.00 0.00 C ATOM 1492 C MET A 98 -26.290 26.816 15.847 1.00 0.00 C ATOM 1493 O MET A 98 -25.566 27.271 16.734 1.00 0.00 O ATOM 1494 CB MET A 98 -26.528 24.373 16.339 1.00 0.00 C ATOM 1495 CG MET A 98 -27.979 24.517 16.776 1.00 0.00 C ATOM 1496 SD MET A 98 -28.444 23.324 18.047 1.00 0.00 S ATOM 1497 CE MET A 98 -27.500 23.932 19.442 1.00 0.00 C ATOM 0 H MET A 98 -24.050 25.099 15.758 1.00 0.00 H new ATOM 0 HA MET A 98 -26.671 25.297 14.405 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.384 23.376 15.922 1.00 0.00 H new ATOM 0 HB3 MET A 98 -25.888 24.447 17.218 1.00 0.00 H new ATOM 0 HG2 MET A 98 -28.142 25.526 17.154 1.00 0.00 H new ATOM 0 HG3 MET A 98 -28.629 24.392 15.910 1.00 0.00 H new ATOM 0 HE1 MET A 98 -27.907 23.519 20.365 1.00 0.00 H new ATOM 0 HE2 MET A 98 -26.459 23.628 19.337 1.00 0.00 H new ATOM 0 HE3 MET A 98 -27.559 25.020 19.475 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.287 27.505 15.305 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.565 28.884 15.687 1.00 0.00 C ATOM 1509 C VAL A 99 -28.875 28.992 16.451 1.00 0.00 C ATOM 1510 O VAL A 99 -29.925 28.559 15.975 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.622 29.810 14.457 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.947 31.235 14.878 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.306 29.769 13.696 1.00 0.00 C ATOM 0 H VAL A 99 -27.918 27.130 14.597 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.746 29.201 16.333 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.413 29.455 13.797 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -27.983 31.875 13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.914 31.254 15.381 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.177 31.598 15.559 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.365 30.429 12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.498 30.098 14.349 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.110 28.750 13.362 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.810 29.574 17.646 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.991 29.740 18.483 1.00 0.00 C ATOM 1525 C GLN A 100 -30.262 31.208 18.772 1.00 0.00 C ATOM 1526 O GLN A 100 -29.463 32.079 18.428 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.826 28.977 19.801 1.00 0.00 C ATOM 1528 CG GLN A 100 -29.773 27.468 19.645 1.00 0.00 C ATOM 1529 CD GLN A 100 -31.094 26.887 19.179 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -32.165 27.305 19.630 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.028 25.916 18.275 1.00 0.00 N ATOM 0 H GLN A 100 -27.950 29.938 18.055 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.842 29.334 17.936 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.911 29.313 20.290 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.654 29.234 20.462 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -28.992 27.207 18.931 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -29.497 27.017 20.598 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -30.121 25.601 17.930 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.884 25.485 17.926 1.00 0.00 H new