USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 6 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.34) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 7 ASN : amide:sc= 0.00858 X(o=0.0086,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.185 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.264 F(o=-0.87,f=-0.26) USER MOD Single : A 44 LYS NZ :NH3+ 128:sc= -0.194 (180deg=-0.82) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.49 F(o=-4.3!,f=-1.5) USER MOD Single : A 47 MET CE :methyl 154:sc= -5.44! (180deg=-7.95!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.126 (180deg=-0.571) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0679) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -30:sc= -3.83! USER MOD Single : A 65 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.01) USER MOD Single : A 74 MET CE :methyl 180:sc= -0.728 (180deg=-0.728) USER MOD Single : A 76 SER OG : rot 0:sc= 0.598 USER MOD Single : A 77 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.4!) USER MOD Single : A 78 CYS SG : rot 172:sc= 1.91 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.0128 USER MOD Single : A 82 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.29) USER MOD Single : A 86 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.1) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 105 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.146) USER MOD Single : A 106 MET CE :methyl 172:sc= 0 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.564 13.749 -1.256 1.00 0.00 N ATOM 2 CA GLU A 1 -14.906 12.671 -2.047 1.00 0.00 C ATOM 3 C GLU A 1 -13.731 12.059 -1.285 1.00 0.00 C ATOM 4 O GLU A 1 -12.742 12.738 -1.003 1.00 0.00 O ATOM 5 CB GLU A 1 -14.419 13.261 -3.377 1.00 0.00 C ATOM 6 CG GLU A 1 -14.160 12.211 -4.449 1.00 0.00 C ATOM 7 CD GLU A 1 -15.374 11.938 -5.320 1.00 0.00 C ATOM 8 OE1 GLU A 1 -16.508 11.969 -4.794 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.189 11.690 -6.530 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.357 14.144 -1.800 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.920 13.355 -0.362 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.875 14.501 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.630 11.877 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.162 13.969 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.502 13.824 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -13.334 12.540 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -13.846 11.283 -3.972 1.00 0.00 H new ATOM 18 N GLN A 2 -13.845 10.772 -0.959 1.00 0.00 N ATOM 19 CA GLN A 2 -12.788 10.067 -0.235 1.00 0.00 C ATOM 20 C GLN A 2 -11.795 9.420 -1.203 1.00 0.00 C ATOM 21 O GLN A 2 -10.595 9.371 -0.926 1.00 0.00 O ATOM 22 CB GLN A 2 -13.386 9.004 0.694 1.00 0.00 C ATOM 23 CG GLN A 2 -13.566 9.476 2.130 1.00 0.00 C ATOM 24 CD GLN A 2 -12.247 9.754 2.829 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.301 8.972 2.729 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.176 10.872 3.544 1.00 0.00 N ATOM 0 H GLN A 2 -14.657 10.197 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.252 10.800 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.353 8.692 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.741 8.125 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.173 10.381 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.116 8.720 2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.983 11.493 3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.314 11.109 4.036 1.00 0.00 H new ATOM 35 N LEU A 3 -12.299 8.929 -2.340 1.00 0.00 N ATOM 36 CA LEU A 3 -11.452 8.292 -3.350 1.00 0.00 C ATOM 37 C LEU A 3 -10.347 9.244 -3.815 1.00 0.00 C ATOM 38 O LEU A 3 -9.197 8.835 -3.984 1.00 0.00 O ATOM 39 CB LEU A 3 -12.293 7.837 -4.552 1.00 0.00 C ATOM 40 CG LEU A 3 -12.277 6.330 -4.839 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.868 5.857 -5.169 1.00 0.00 C ATOM 42 CD2 LEU A 3 -12.845 5.550 -3.661 1.00 0.00 C ATOM 0 H LEU A 3 -13.289 8.961 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.987 7.418 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.325 8.147 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.939 8.362 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.909 6.144 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.881 4.786 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.504 6.386 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.209 6.060 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.824 4.484 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.245 5.745 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.873 5.862 -3.480 1.00 0.00 H new ATOM 54 N LYS A 4 -10.704 10.515 -4.016 1.00 0.00 N ATOM 55 CA LYS A 4 -9.740 11.524 -4.456 1.00 0.00 C ATOM 56 C LYS A 4 -8.611 11.675 -3.438 1.00 0.00 C ATOM 57 O LYS A 4 -7.435 11.684 -3.803 1.00 0.00 O ATOM 58 CB LYS A 4 -10.435 12.874 -4.670 1.00 0.00 C ATOM 59 CG LYS A 4 -9.617 13.862 -5.490 1.00 0.00 C ATOM 60 CD LYS A 4 -9.932 13.755 -6.975 1.00 0.00 C ATOM 61 CE LYS A 4 -8.851 14.408 -7.825 1.00 0.00 C ATOM 62 NZ LYS A 4 -8.547 13.615 -9.051 1.00 0.00 N ATOM 0 H LYS A 4 -11.651 10.868 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.313 11.193 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.390 12.706 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.655 13.317 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.820 14.876 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.555 13.678 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.029 12.705 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.892 14.229 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.171 15.410 -8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.943 14.521 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.806 14.095 -9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.216 12.667 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.406 13.528 -9.630 1.00 0.00 H new ATOM 76 N HIS A 5 -8.979 11.784 -2.161 1.00 0.00 N ATOM 77 CA HIS A 5 -7.999 11.927 -1.085 1.00 0.00 C ATOM 78 C HIS A 5 -7.103 10.692 -0.994 1.00 0.00 C ATOM 79 O HIS A 5 -5.890 10.811 -0.813 1.00 0.00 O ATOM 80 CB HIS A 5 -8.702 12.158 0.255 1.00 0.00 C ATOM 81 CG HIS A 5 -8.400 13.491 0.869 1.00 0.00 C ATOM 82 ND1 HIS A 5 -7.115 13.949 1.077 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.223 14.468 1.319 1.00 0.00 C ATOM 84 CE1 HIS A 5 -7.162 15.148 1.630 1.00 0.00 C ATOM 85 NE2 HIS A 5 -8.429 15.485 1.787 1.00 0.00 N ATOM 0 H HIS A 5 -9.949 11.776 -1.847 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.376 12.792 -1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.779 12.069 0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.408 11.372 0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.303 14.450 1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.309 15.750 1.907 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.764 16.360 2.191 1.00 0.00 H new ATOM 94 N CYS A 6 -7.706 9.508 -1.123 1.00 0.00 N ATOM 95 CA CYS A 6 -6.958 8.252 -1.057 1.00 0.00 C ATOM 96 C CYS A 6 -5.913 8.188 -2.168 1.00 0.00 C ATOM 97 O CYS A 6 -4.775 7.777 -1.936 1.00 0.00 O ATOM 98 CB CYS A 6 -7.905 7.052 -1.165 1.00 0.00 C ATOM 99 SG CYS A 6 -7.432 5.642 -0.135 1.00 0.00 S ATOM 0 H CYS A 6 -8.708 9.393 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.450 8.214 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.910 7.370 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.949 6.730 -2.205 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.293 4.681 -0.293 1.00 0.00 H new ATOM 105 N ASN A 7 -6.306 8.603 -3.374 1.00 0.00 N ATOM 106 CA ASN A 7 -5.401 8.597 -4.521 1.00 0.00 C ATOM 107 C ASN A 7 -4.181 9.478 -4.261 1.00 0.00 C ATOM 108 O ASN A 7 -3.069 9.147 -4.673 1.00 0.00 O ATOM 109 CB ASN A 7 -6.127 9.069 -5.784 1.00 0.00 C ATOM 110 CG ASN A 7 -6.598 7.910 -6.641 1.00 0.00 C ATOM 111 OD1 ASN A 7 -5.791 7.203 -7.245 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.910 7.707 -6.700 1.00 0.00 N ATOM 0 H ASN A 7 -7.244 8.947 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.061 7.572 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.983 9.681 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.461 9.703 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.283 6.941 -7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.544 8.317 -6.184 1.00 0.00 H new ATOM 119 N VAL A 8 -4.395 10.599 -3.570 1.00 0.00 N ATOM 120 CA VAL A 8 -3.309 11.521 -3.251 1.00 0.00 C ATOM 121 C VAL A 8 -2.239 10.832 -2.402 1.00 0.00 C ATOM 122 O VAL A 8 -1.043 11.046 -2.606 1.00 0.00 O ATOM 123 CB VAL A 8 -3.820 12.776 -2.506 1.00 0.00 C ATOM 124 CG1 VAL A 8 -2.697 13.787 -2.326 1.00 0.00 C ATOM 125 CG2 VAL A 8 -4.996 13.407 -3.246 1.00 0.00 C ATOM 0 H VAL A 8 -5.309 10.888 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.874 11.835 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.166 12.466 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.077 14.663 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.891 13.336 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.317 14.087 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.338 14.288 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.681 13.698 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.810 12.686 -3.317 1.00 0.00 H new ATOM 135 N ILE A 9 -2.677 10.000 -1.455 1.00 0.00 N ATOM 136 CA ILE A 9 -1.754 9.277 -0.583 1.00 0.00 C ATOM 137 C ILE A 9 -0.874 8.320 -1.390 1.00 0.00 C ATOM 138 O ILE A 9 0.344 8.281 -1.207 1.00 0.00 O ATOM 139 CB ILE A 9 -2.501 8.480 0.513 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.481 9.383 1.274 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.505 7.850 1.477 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.358 8.633 2.255 1.00 0.00 C ATOM 0 H ILE A 9 -3.663 9.812 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.128 10.027 -0.100 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.073 7.688 0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.917 10.145 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.115 9.903 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.043 7.292 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.847 7.174 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.910 8.632 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.025 9.334 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.949 7.889 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.732 8.135 2.995 1.00 0.00 H new ATOM 154 N LEU A 10 -1.496 7.555 -2.289 1.00 0.00 N ATOM 155 CA LEU A 10 -0.765 6.603 -3.130 1.00 0.00 C ATOM 156 C LEU A 10 0.288 7.319 -3.971 1.00 0.00 C ATOM 157 O LEU A 10 1.441 6.889 -4.034 1.00 0.00 O ATOM 158 CB LEU A 10 -1.729 5.845 -4.049 1.00 0.00 C ATOM 159 CG LEU A 10 -1.379 4.372 -4.287 1.00 0.00 C ATOM 160 CD1 LEU A 10 -1.977 3.499 -3.193 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.863 3.921 -5.661 1.00 0.00 C ATOM 0 H LEU A 10 -2.502 7.575 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.266 5.891 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.731 5.900 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.764 6.354 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.295 4.266 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.719 2.456 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.580 3.805 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.061 3.609 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.605 2.873 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.945 4.041 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.386 4.526 -6.432 1.00 0.00 H new ATOM 173 N LYS A 11 -0.117 8.417 -4.611 1.00 0.00 N ATOM 174 CA LYS A 11 0.788 9.202 -5.447 1.00 0.00 C ATOM 175 C LYS A 11 1.951 9.762 -4.625 1.00 0.00 C ATOM 176 O LYS A 11 3.059 9.911 -5.136 1.00 0.00 O ATOM 177 CB LYS A 11 0.026 10.343 -6.130 1.00 0.00 C ATOM 178 CG LYS A 11 -0.618 9.946 -7.450 1.00 0.00 C ATOM 179 CD LYS A 11 -0.880 11.160 -8.331 1.00 0.00 C ATOM 180 CE LYS A 11 -1.909 10.858 -9.411 1.00 0.00 C ATOM 181 NZ LYS A 11 -2.709 12.064 -9.774 1.00 0.00 N ATOM 0 H LYS A 11 -1.068 8.782 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 11 1.199 8.542 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.748 10.707 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.712 11.172 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.031 9.246 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.556 9.426 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.231 11.988 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.052 11.481 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.402 10.478 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.578 10.070 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.398 11.814 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.213 12.412 -8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.074 12.807 -10.129 1.00 0.00 H new ATOM 195 N GLU A 12 1.695 10.062 -3.349 1.00 0.00 N ATOM 196 CA GLU A 12 2.729 10.596 -2.463 1.00 0.00 C ATOM 197 C GLU A 12 3.837 9.566 -2.231 1.00 0.00 C ATOM 198 O GLU A 12 5.024 9.901 -2.264 1.00 0.00 O ATOM 199 CB GLU A 12 2.121 11.017 -1.122 1.00 0.00 C ATOM 200 CG GLU A 12 3.132 11.619 -0.156 1.00 0.00 C ATOM 201 CD GLU A 12 2.877 13.088 0.123 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.088 13.911 -0.792 1.00 0.00 O ATOM 203 OE2 GLU A 12 2.468 13.414 1.257 1.00 0.00 O ATOM 0 H GLU A 12 0.783 9.944 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 12 3.165 11.471 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.328 11.743 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.657 10.149 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.105 11.066 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.135 11.501 -0.567 1.00 0.00 H new ATOM 210 N LEU A 13 3.444 8.313 -1.993 1.00 0.00 N ATOM 211 CA LEU A 13 4.407 7.238 -1.752 1.00 0.00 C ATOM 212 C LEU A 13 5.230 6.940 -3.008 1.00 0.00 C ATOM 213 O LEU A 13 6.441 6.728 -2.926 1.00 0.00 O ATOM 214 CB LEU A 13 3.698 5.959 -1.285 1.00 0.00 C ATOM 215 CG LEU A 13 2.684 6.140 -0.150 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.773 4.924 -0.051 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.400 6.385 1.172 1.00 0.00 C ATOM 0 H LEU A 13 2.468 8.019 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 13 5.080 7.577 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.185 5.517 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.454 5.243 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 13 2.069 7.012 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.059 5.069 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.234 4.795 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.372 4.036 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.664 6.511 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.040 5.533 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.009 7.286 1.095 1.00 0.00 H new ATOM 229 N LEU A 14 4.565 6.919 -4.166 1.00 0.00 N ATOM 230 CA LEU A 14 5.232 6.639 -5.435 1.00 0.00 C ATOM 231 C LEU A 14 5.909 7.883 -6.025 1.00 0.00 C ATOM 232 O LEU A 14 6.752 7.763 -6.914 1.00 0.00 O ATOM 233 CB LEU A 14 4.234 6.064 -6.446 1.00 0.00 C ATOM 234 CG LEU A 14 2.969 6.893 -6.684 1.00 0.00 C ATOM 235 CD1 LEU A 14 3.114 7.742 -7.939 1.00 0.00 C ATOM 236 CD2 LEU A 14 1.756 5.982 -6.792 1.00 0.00 C ATOM 0 H LEU A 14 3.563 7.093 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 14 6.012 5.905 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.746 5.936 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.936 5.071 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 14 2.827 7.562 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.205 8.324 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.962 8.417 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.279 7.094 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.863 6.584 -6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.892 5.292 -7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.642 5.416 -5.867 1.00 0.00 H new ATOM 248 N SER A 15 5.534 9.070 -5.540 1.00 0.00 N ATOM 249 CA SER A 15 6.109 10.321 -6.038 1.00 0.00 C ATOM 250 C SER A 15 7.619 10.373 -5.783 1.00 0.00 C ATOM 251 O SER A 15 8.403 9.884 -6.597 1.00 0.00 O ATOM 252 CB SER A 15 5.402 11.526 -5.397 1.00 0.00 C ATOM 253 OG SER A 15 6.140 12.723 -5.590 1.00 0.00 O ATOM 0 H SER A 15 4.837 9.190 -4.805 1.00 0.00 H new ATOM 0 HA SER A 15 5.954 10.364 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.407 11.637 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.269 11.347 -4.330 1.00 0.00 H new ATOM 0 HG SER A 15 5.664 13.471 -5.173 1.00 0.00 H new ATOM 259 N LYS A 16 8.026 10.965 -4.658 1.00 0.00 N ATOM 260 CA LYS A 16 9.444 11.069 -4.318 1.00 0.00 C ATOM 261 C LYS A 16 9.647 11.227 -2.807 1.00 0.00 C ATOM 262 O LYS A 16 10.645 11.800 -2.365 1.00 0.00 O ATOM 263 CB LYS A 16 10.085 12.242 -5.068 1.00 0.00 C ATOM 264 CG LYS A 16 10.532 11.886 -6.476 1.00 0.00 C ATOM 265 CD LYS A 16 11.375 12.988 -7.095 1.00 0.00 C ATOM 266 CE LYS A 16 12.453 12.413 -8.002 1.00 0.00 C ATOM 267 NZ LYS A 16 12.651 13.237 -9.228 1.00 0.00 N ATOM 0 H LYS A 16 7.396 11.378 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 16 9.931 10.143 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.372 13.065 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.945 12.600 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.106 10.959 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.657 11.703 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.736 13.661 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.838 13.582 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.392 12.349 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.181 11.397 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.394 12.810 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.762 13.277 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.935 14.200 -8.957 1.00 0.00 H new ATOM 281 N LYS A 17 8.704 10.706 -2.017 1.00 0.00 N ATOM 282 CA LYS A 17 8.791 10.779 -0.559 1.00 0.00 C ATOM 283 C LYS A 17 9.143 9.411 0.023 1.00 0.00 C ATOM 284 O LYS A 17 9.933 9.311 0.962 1.00 0.00 O ATOM 285 CB LYS A 17 7.472 11.283 0.037 1.00 0.00 C ATOM 286 CG LYS A 17 7.182 12.745 -0.271 1.00 0.00 C ATOM 287 CD LYS A 17 7.560 13.649 0.893 1.00 0.00 C ATOM 288 CE LYS A 17 8.225 14.929 0.411 1.00 0.00 C ATOM 289 NZ LYS A 17 8.573 15.840 1.538 1.00 0.00 N ATOM 0 H LYS A 17 7.872 10.229 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 17 9.580 11.484 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.654 10.671 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.496 11.146 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.735 13.046 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.123 12.866 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.668 13.896 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.235 13.117 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.129 14.680 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.558 15.446 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.024 16.699 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.708 16.100 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.230 15.358 2.184 1.00 0.00 H new ATOM 303 N HIS A 18 8.556 8.361 -0.553 1.00 0.00 N ATOM 304 CA HIS A 18 8.808 6.991 -0.114 1.00 0.00 C ATOM 305 C HIS A 18 9.052 6.080 -1.314 1.00 0.00 C ATOM 306 O HIS A 18 8.657 4.911 -1.314 1.00 0.00 O ATOM 307 CB HIS A 18 7.630 6.470 0.712 1.00 0.00 C ATOM 308 CG HIS A 18 7.240 7.382 1.830 1.00 0.00 C ATOM 309 ND1 HIS A 18 6.102 8.156 1.805 1.00 0.00 N ATOM 310 CD2 HIS A 18 7.849 7.646 3.009 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.025 8.857 2.920 1.00 0.00 C ATOM 312 NE2 HIS A 18 7.073 8.566 3.669 1.00 0.00 N ATOM 0 H HIS A 18 7.899 8.436 -1.329 1.00 0.00 H new ATOM 0 HA HIS A 18 9.701 6.990 0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.772 6.324 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.887 5.493 1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.773 7.214 3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.238 9.551 3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.273 8.961 4.588 1.00 0.00 H new ATOM 321 N ALA A 19 9.708 6.625 -2.340 1.00 0.00 N ATOM 322 CA ALA A 19 10.011 5.869 -3.551 1.00 0.00 C ATOM 323 C ALA A 19 10.911 4.674 -3.247 1.00 0.00 C ATOM 324 O ALA A 19 10.740 3.606 -3.831 1.00 0.00 O ATOM 325 CB ALA A 19 10.662 6.767 -4.591 1.00 0.00 C ATOM 0 H ALA A 19 10.039 7.590 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 19 9.070 5.491 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.881 6.186 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.984 7.582 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.589 7.177 -4.189 1.00 0.00 H new ATOM 331 N ALA A 20 11.865 4.861 -2.326 1.00 0.00 N ATOM 332 CA ALA A 20 12.792 3.790 -1.943 1.00 0.00 C ATOM 333 C ALA A 20 12.051 2.508 -1.560 1.00 0.00 C ATOM 334 O ALA A 20 12.564 1.406 -1.757 1.00 0.00 O ATOM 335 CB ALA A 20 13.685 4.238 -0.793 1.00 0.00 C ATOM 0 H ALA A 20 12.014 5.742 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 20 13.412 3.573 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.365 3.430 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.262 5.111 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.068 4.495 0.068 1.00 0.00 H new ATOM 341 N TYR A 21 10.846 2.662 -1.014 1.00 0.00 N ATOM 342 CA TYR A 21 10.026 1.521 -0.606 1.00 0.00 C ATOM 343 C TYR A 21 8.948 1.211 -1.654 1.00 0.00 C ATOM 344 O TYR A 21 8.348 0.133 -1.638 1.00 0.00 O ATOM 345 CB TYR A 21 9.364 1.797 0.752 1.00 0.00 C ATOM 346 CG TYR A 21 10.216 2.620 1.697 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.283 4.004 1.582 1.00 0.00 C ATOM 348 CD2 TYR A 21 10.962 2.010 2.695 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.069 4.753 2.435 1.00 0.00 C ATOM 350 CE2 TYR A 21 11.748 2.752 3.553 1.00 0.00 C ATOM 351 CZ TYR A 21 11.799 4.123 3.419 1.00 0.00 C ATOM 352 OH TYR A 21 12.586 4.868 4.266 1.00 0.00 O ATOM 0 H TYR A 21 10.414 3.570 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 21 10.681 0.654 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.420 2.315 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.126 0.846 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.711 4.501 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.927 0.936 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.111 5.827 2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.321 2.261 4.326 1.00 0.00 H new ATOM 0 HH TYR A 21 13.034 4.274 4.903 1.00 0.00 H new ATOM 362 N ALA A 22 8.700 2.163 -2.559 1.00 0.00 N ATOM 363 CA ALA A 22 7.692 1.997 -3.602 1.00 0.00 C ATOM 364 C ALA A 22 8.174 1.093 -4.737 1.00 0.00 C ATOM 365 O ALA A 22 7.425 0.235 -5.201 1.00 0.00 O ATOM 366 CB ALA A 22 7.279 3.356 -4.154 1.00 0.00 C ATOM 0 H ALA A 22 9.187 3.059 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 22 6.830 1.511 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.527 3.220 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.864 3.964 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.150 3.857 -4.576 1.00 0.00 H new ATOM 372 N TRP A 23 9.416 1.290 -5.196 1.00 0.00 N ATOM 373 CA TRP A 23 9.956 0.482 -6.294 1.00 0.00 C ATOM 374 C TRP A 23 10.161 -0.993 -5.907 1.00 0.00 C ATOM 375 O TRP A 23 9.916 -1.874 -6.733 1.00 0.00 O ATOM 376 CB TRP A 23 11.262 1.080 -6.842 1.00 0.00 C ATOM 377 CG TRP A 23 12.418 1.001 -5.897 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.832 1.969 -5.034 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.315 -0.103 -5.724 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.915 1.532 -4.318 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.237 0.264 -4.727 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.424 -1.368 -6.310 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.255 -0.586 -4.304 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.435 -2.210 -5.891 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.339 -1.817 -4.896 1.00 0.00 C ATOM 0 H TRP A 23 10.058 1.993 -4.829 1.00 0.00 H new ATOM 0 HA TRP A 23 9.204 0.505 -7.082 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.526 0.563 -7.765 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.089 2.125 -7.100 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.373 2.941 -4.929 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.403 2.064 -3.597 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.730 -1.681 -7.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.953 -0.285 -3.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.530 -3.188 -6.338 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.118 -2.499 -4.590 1.00 0.00 H new ATOM 396 N PRO A 24 10.607 -1.306 -4.662 1.00 0.00 N ATOM 397 CA PRO A 24 10.819 -2.698 -4.244 1.00 0.00 C ATOM 398 C PRO A 24 9.512 -3.484 -4.170 1.00 0.00 C ATOM 399 O PRO A 24 9.473 -4.670 -4.501 1.00 0.00 O ATOM 400 CB PRO A 24 11.454 -2.575 -2.856 1.00 0.00 C ATOM 401 CG PRO A 24 11.042 -1.234 -2.362 1.00 0.00 C ATOM 402 CD PRO A 24 10.934 -0.357 -3.578 1.00 0.00 C ATOM 0 HA PRO A 24 11.440 -3.243 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.105 -3.365 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.539 -2.660 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.089 -1.289 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.773 -0.836 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.158 0.399 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.867 0.172 -3.775 1.00 0.00 H new ATOM 410 N PHE A 25 8.440 -2.812 -3.743 1.00 0.00 N ATOM 411 CA PHE A 25 7.127 -3.446 -3.636 1.00 0.00 C ATOM 412 C PHE A 25 6.277 -3.199 -4.892 1.00 0.00 C ATOM 413 O PHE A 25 5.136 -3.656 -4.970 1.00 0.00 O ATOM 414 CB PHE A 25 6.388 -2.928 -2.397 1.00 0.00 C ATOM 415 CG PHE A 25 6.911 -3.475 -1.094 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.241 -3.308 -0.732 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.068 -4.153 -0.227 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.715 -3.806 0.468 1.00 0.00 C ATOM 419 CE2 PHE A 25 6.537 -4.651 0.973 1.00 0.00 C ATOM 420 CZ PHE A 25 7.862 -4.479 1.320 1.00 0.00 C ATOM 0 H PHE A 25 8.457 -1.830 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 25 7.285 -4.520 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.456 -1.840 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.331 -3.180 -2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.913 -2.783 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.031 -4.294 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.752 -3.669 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.868 -5.175 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.231 -4.870 2.257 1.00 0.00 H new ATOM 430 N TYR A 26 6.833 -2.473 -5.870 1.00 0.00 N ATOM 431 CA TYR A 26 6.118 -2.169 -7.108 1.00 0.00 C ATOM 432 C TYR A 26 6.010 -3.402 -8.003 1.00 0.00 C ATOM 433 O TYR A 26 4.908 -3.838 -8.340 1.00 0.00 O ATOM 434 CB TYR A 26 6.824 -1.043 -7.868 1.00 0.00 C ATOM 435 CG TYR A 26 5.884 -0.015 -8.460 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.790 -0.401 -9.226 1.00 0.00 C ATOM 437 CD2 TYR A 26 6.093 1.342 -8.252 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.934 0.537 -9.770 1.00 0.00 C ATOM 439 CE2 TYR A 26 5.242 2.286 -8.793 1.00 0.00 C ATOM 440 CZ TYR A 26 4.163 1.879 -9.549 1.00 0.00 C ATOM 441 OH TYR A 26 3.312 2.816 -10.090 1.00 0.00 O ATOM 0 H TYR A 26 7.776 -2.087 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 26 5.111 -1.849 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.516 -0.541 -7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.421 -1.478 -8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.606 -1.451 -9.399 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.935 1.665 -7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.090 0.221 -10.365 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.421 3.338 -8.625 1.00 0.00 H new ATOM 0 HH TYR A 26 3.613 3.714 -9.839 1.00 0.00 H new ATOM 451 N LYS A 27 7.161 -3.952 -8.392 1.00 0.00 N ATOM 452 CA LYS A 27 7.198 -5.131 -9.256 1.00 0.00 C ATOM 453 C LYS A 27 6.473 -6.307 -8.609 1.00 0.00 C ATOM 454 O LYS A 27 6.615 -6.550 -7.408 1.00 0.00 O ATOM 455 CB LYS A 27 8.645 -5.524 -9.573 1.00 0.00 C ATOM 456 CG LYS A 27 9.128 -5.033 -10.930 1.00 0.00 C ATOM 457 CD LYS A 27 9.957 -3.765 -10.801 1.00 0.00 C ATOM 458 CE LYS A 27 9.080 -2.521 -10.829 1.00 0.00 C ATOM 459 NZ LYS A 27 8.835 -2.038 -12.218 1.00 0.00 N ATOM 0 H LYS A 27 8.079 -3.600 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 27 6.688 -4.877 -10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.299 -5.124 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.734 -6.610 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.723 -5.811 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.271 -4.844 -11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.523 -3.792 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.682 -3.719 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.126 -2.739 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.555 -1.730 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.234 -1.190 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.742 -1.804 -12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.358 -2.782 -12.765 1.00 0.00 H new ATOM 473 N PRO A 28 5.684 -7.058 -9.401 1.00 0.00 N ATOM 474 CA PRO A 28 4.938 -8.216 -8.901 1.00 0.00 C ATOM 475 C PRO A 28 5.838 -9.422 -8.654 1.00 0.00 C ATOM 476 O PRO A 28 7.060 -9.342 -8.801 1.00 0.00 O ATOM 477 CB PRO A 28 3.952 -8.508 -10.032 1.00 0.00 C ATOM 478 CG PRO A 28 4.649 -8.040 -11.261 1.00 0.00 C ATOM 479 CD PRO A 28 5.461 -6.842 -10.847 1.00 0.00 C ATOM 0 HA PRO A 28 4.463 -8.016 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.716 -9.571 -10.089 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.010 -7.980 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.289 -8.823 -11.669 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.933 -7.776 -12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.402 -6.787 -11.394 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.927 -5.911 -11.036 1.00 0.00 H new ATOM 487 N VAL A 29 5.224 -10.540 -8.282 1.00 0.00 N ATOM 488 CA VAL A 29 5.961 -11.768 -8.020 1.00 0.00 C ATOM 489 C VAL A 29 5.406 -12.912 -8.863 1.00 0.00 C ATOM 490 O VAL A 29 4.468 -13.601 -8.453 1.00 0.00 O ATOM 491 CB VAL A 29 5.910 -12.153 -6.527 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.858 -13.309 -6.240 1.00 0.00 C ATOM 493 CG2 VAL A 29 6.243 -10.949 -5.652 1.00 0.00 C ATOM 0 H VAL A 29 4.215 -10.620 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 29 7.001 -11.588 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 29 4.897 -12.477 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.808 -13.566 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.569 -14.173 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.877 -13.016 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.202 -11.240 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.245 -10.592 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.521 -10.154 -5.837 1.00 0.00 H new ATOM 503 N ASP A 30 5.985 -13.102 -10.047 1.00 0.00 N ATOM 504 CA ASP A 30 5.547 -14.154 -10.957 1.00 0.00 C ATOM 505 C ASP A 30 5.978 -15.528 -10.450 1.00 0.00 C ATOM 506 O ASP A 30 6.962 -16.098 -10.925 1.00 0.00 O ATOM 507 CB ASP A 30 6.099 -13.913 -12.365 1.00 0.00 C ATOM 508 CG ASP A 30 5.644 -12.591 -12.957 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.437 -12.281 -12.866 1.00 0.00 O ATOM 510 OD2 ASP A 30 6.496 -11.868 -13.514 1.00 0.00 O ATOM 0 H ASP A 30 6.760 -12.539 -10.398 1.00 0.00 H new ATOM 0 HA ASP A 30 4.458 -14.129 -10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.188 -13.935 -12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.783 -14.726 -13.018 1.00 0.00 H new ATOM 515 N ALA A 31 5.231 -16.054 -9.483 1.00 0.00 N ATOM 516 CA ALA A 31 5.525 -17.362 -8.906 1.00 0.00 C ATOM 517 C ALA A 31 5.490 -18.465 -9.966 1.00 0.00 C ATOM 518 O ALA A 31 6.196 -19.467 -9.849 1.00 0.00 O ATOM 519 CB ALA A 31 4.544 -17.675 -7.787 1.00 0.00 C ATOM 0 H ALA A 31 4.415 -15.592 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 31 6.535 -17.327 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.774 -18.653 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.625 -16.916 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.529 -17.681 -8.184 1.00 0.00 H new ATOM 525 N SER A 32 4.661 -18.280 -10.996 1.00 0.00 N ATOM 526 CA SER A 32 4.538 -19.267 -12.067 1.00 0.00 C ATOM 527 C SER A 32 5.506 -18.974 -13.215 1.00 0.00 C ATOM 528 O SER A 32 6.174 -19.880 -13.715 1.00 0.00 O ATOM 529 CB SER A 32 3.101 -19.312 -12.594 1.00 0.00 C ATOM 530 OG SER A 32 2.255 -20.030 -11.712 1.00 0.00 O ATOM 0 H SER A 32 4.068 -17.458 -11.109 1.00 0.00 H new ATOM 0 HA SER A 32 4.795 -20.239 -11.647 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.724 -18.297 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.086 -19.780 -13.578 1.00 0.00 H new ATOM 0 HG SER A 32 1.343 -20.042 -12.071 1.00 0.00 H new ATOM 536 N ALA A 33 5.572 -17.708 -13.636 1.00 0.00 N ATOM 537 CA ALA A 33 6.454 -17.308 -14.733 1.00 0.00 C ATOM 538 C ALA A 33 7.921 -17.333 -14.306 1.00 0.00 C ATOM 539 O ALA A 33 8.714 -18.114 -14.836 1.00 0.00 O ATOM 540 CB ALA A 33 6.067 -15.928 -15.249 1.00 0.00 C ATOM 0 H ALA A 33 5.027 -16.945 -13.235 1.00 0.00 H new ATOM 0 HA ALA A 33 6.333 -18.029 -15.541 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.732 -15.645 -16.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.039 -15.950 -15.610 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.153 -15.201 -14.442 1.00 0.00 H new ATOM 546 N LEU A 34 8.277 -16.482 -13.343 1.00 0.00 N ATOM 547 CA LEU A 34 9.650 -16.417 -12.845 1.00 0.00 C ATOM 548 C LEU A 34 10.046 -17.733 -12.179 1.00 0.00 C ATOM 549 O LEU A 34 11.134 -18.258 -12.425 1.00 0.00 O ATOM 550 CB LEU A 34 9.814 -15.258 -11.853 1.00 0.00 C ATOM 551 CG LEU A 34 10.617 -14.063 -12.379 1.00 0.00 C ATOM 552 CD1 LEU A 34 9.701 -13.062 -13.070 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.384 -13.394 -11.246 1.00 0.00 C ATOM 0 H LEU A 34 7.634 -15.830 -12.894 1.00 0.00 H new ATOM 0 HA LEU A 34 10.308 -16.244 -13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.824 -14.910 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.300 -15.636 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 34 11.336 -14.430 -13.111 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.291 -12.222 -13.436 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.200 -13.546 -13.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.956 -12.701 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.948 -12.548 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.682 -13.043 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.071 -14.112 -10.798 1.00 0.00 H new ATOM 565 N GLY A 35 9.154 -18.264 -11.341 1.00 0.00 N ATOM 566 CA GLY A 35 9.423 -19.518 -10.658 1.00 0.00 C ATOM 567 C GLY A 35 9.659 -19.339 -9.171 1.00 0.00 C ATOM 568 O GLY A 35 10.783 -19.075 -8.743 1.00 0.00 O ATOM 0 H GLY A 35 8.249 -17.846 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.583 -20.196 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.298 -19.990 -11.106 1.00 0.00 H new ATOM 572 N LEU A 36 8.596 -19.490 -8.382 1.00 0.00 N ATOM 573 CA LEU A 36 8.687 -19.352 -6.932 1.00 0.00 C ATOM 574 C LEU A 36 7.597 -20.172 -6.243 1.00 0.00 C ATOM 575 O LEU A 36 6.563 -19.637 -5.839 1.00 0.00 O ATOM 576 CB LEU A 36 8.580 -17.878 -6.524 1.00 0.00 C ATOM 577 CG LEU A 36 9.916 -17.184 -6.243 1.00 0.00 C ATOM 578 CD1 LEU A 36 9.836 -15.707 -6.600 1.00 0.00 C ATOM 579 CD2 LEU A 36 10.318 -17.363 -4.785 1.00 0.00 C ATOM 0 H LEU A 36 7.661 -19.708 -8.725 1.00 0.00 H new ATOM 0 HA LEU A 36 9.658 -19.731 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.065 -17.334 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.957 -17.808 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 36 10.681 -17.647 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.794 -15.230 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.598 -15.601 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.058 -15.230 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.270 -16.863 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.553 -16.929 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.419 -18.425 -4.563 1.00 0.00 H new ATOM 591 N HIS A 37 7.838 -21.478 -6.113 1.00 0.00 N ATOM 592 CA HIS A 37 6.879 -22.377 -5.470 1.00 0.00 C ATOM 593 C HIS A 37 6.691 -22.008 -4.003 1.00 0.00 C ATOM 594 O HIS A 37 5.568 -21.982 -3.506 1.00 0.00 O ATOM 595 CB HIS A 37 7.342 -23.831 -5.580 1.00 0.00 C ATOM 596 CG HIS A 37 7.515 -24.303 -6.992 1.00 0.00 C ATOM 597 ND1 HIS A 37 8.594 -25.055 -7.408 1.00 0.00 N ATOM 598 CD2 HIS A 37 6.739 -24.126 -8.090 1.00 0.00 C ATOM 599 CE1 HIS A 37 8.474 -25.320 -8.697 1.00 0.00 C ATOM 600 NE2 HIS A 37 7.357 -24.768 -9.133 1.00 0.00 N ATOM 0 H HIS A 37 8.687 -21.936 -6.444 1.00 0.00 H new ATOM 0 HA HIS A 37 5.925 -22.270 -5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.288 -23.943 -5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.618 -24.473 -5.078 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.808 -23.581 -8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.171 -25.891 -9.292 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.009 -24.812 -10.091 1.00 0.00 H new ATOM 609 N ASP A 38 7.799 -21.717 -3.320 1.00 0.00 N ATOM 610 CA ASP A 38 7.759 -21.341 -1.907 1.00 0.00 C ATOM 611 C ASP A 38 6.821 -20.150 -1.677 1.00 0.00 C ATOM 612 O ASP A 38 6.165 -20.059 -0.639 1.00 0.00 O ATOM 613 CB ASP A 38 9.168 -21.000 -1.410 1.00 0.00 C ATOM 614 CG ASP A 38 9.270 -21.008 0.103 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.284 -22.110 0.692 1.00 0.00 O ATOM 616 OD2 ASP A 38 9.336 -19.911 0.698 1.00 0.00 O ATOM 0 H ASP A 38 8.736 -21.735 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 38 7.375 -22.191 -1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.878 -21.717 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.454 -20.017 -1.785 1.00 0.00 H new ATOM 621 N TYR A 39 6.767 -19.242 -2.654 1.00 0.00 N ATOM 622 CA TYR A 39 5.914 -18.055 -2.566 1.00 0.00 C ATOM 623 C TYR A 39 4.430 -18.423 -2.635 1.00 0.00 C ATOM 624 O TYR A 39 3.600 -17.803 -1.971 1.00 0.00 O ATOM 625 CB TYR A 39 6.260 -17.077 -3.694 1.00 0.00 C ATOM 626 CG TYR A 39 5.920 -15.634 -3.385 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.602 -15.193 -3.392 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.917 -14.713 -3.090 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.289 -13.876 -3.114 1.00 0.00 C ATOM 630 CE2 TYR A 39 6.612 -13.394 -2.811 1.00 0.00 C ATOM 631 CZ TYR A 39 5.296 -12.981 -2.824 1.00 0.00 C ATOM 632 OH TYR A 39 4.987 -11.667 -2.548 1.00 0.00 O ATOM 0 H TYR A 39 7.306 -19.307 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 39 6.099 -17.582 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.326 -17.150 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.730 -17.379 -4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.810 -15.891 -3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.948 -15.033 -3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.260 -13.550 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.400 -12.691 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 39 5.811 -11.169 -2.364 1.00 0.00 H new ATOM 642 N HIS A 40 4.098 -19.428 -3.446 1.00 0.00 N ATOM 643 CA HIS A 40 2.708 -19.863 -3.599 1.00 0.00 C ATOM 644 C HIS A 40 2.343 -20.957 -2.591 1.00 0.00 C ATOM 645 O HIS A 40 1.178 -21.094 -2.216 1.00 0.00 O ATOM 646 CB HIS A 40 2.461 -20.366 -5.024 1.00 0.00 C ATOM 647 CG HIS A 40 1.012 -20.390 -5.410 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.113 -19.385 -5.544 1.00 0.00 N flip ATOM 649 CD2 HIS A 40 0.332 -21.552 -5.713 1.00 0.00 C flip ATOM 650 CE1 HIS A 40 -1.078 -19.952 -5.925 1.00 0.00 C flip ATOM 651 NE2 HIS A 40 -0.920 -21.259 -6.021 1.00 0.00 N flip ATOM 0 H HIS A 40 4.769 -19.955 -4.005 1.00 0.00 H new ATOM 0 HA HIS A 40 2.072 -19.000 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.004 -19.731 -5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.871 -21.371 -5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.756 -22.545 -5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.996 -19.415 -6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.641 -21.929 -6.288 1.00 0.00 H new ATOM 660 N ASP A 41 3.337 -21.738 -2.162 1.00 0.00 N ATOM 661 CA ASP A 41 3.106 -22.821 -1.206 1.00 0.00 C ATOM 662 C ASP A 41 2.763 -22.281 0.181 1.00 0.00 C ATOM 663 O ASP A 41 1.919 -22.844 0.879 1.00 0.00 O ATOM 664 CB ASP A 41 4.334 -23.735 -1.116 1.00 0.00 C ATOM 665 CG ASP A 41 3.970 -25.210 -1.099 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.867 -25.551 -0.620 1.00 0.00 O ATOM 667 OD2 ASP A 41 4.792 -26.026 -1.565 1.00 0.00 O ATOM 0 H ASP A 41 4.307 -21.640 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 41 2.255 -23.398 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.991 -23.537 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.896 -23.494 -0.214 1.00 0.00 H new ATOM 672 N ILE A 42 3.426 -21.196 0.581 1.00 0.00 N ATOM 673 CA ILE A 42 3.191 -20.598 1.893 1.00 0.00 C ATOM 674 C ILE A 42 2.175 -19.459 1.824 1.00 0.00 C ATOM 675 O ILE A 42 1.209 -19.436 2.588 1.00 0.00 O ATOM 676 CB ILE A 42 4.497 -20.066 2.518 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.597 -21.126 2.449 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.257 -19.637 3.961 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.977 -20.577 2.730 1.00 0.00 C ATOM 0 H ILE A 42 4.127 -20.716 0.017 1.00 0.00 H new ATOM 0 HA ILE A 42 2.791 -21.394 2.522 1.00 0.00 H new ATOM 0 HB ILE A 42 4.824 -19.197 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.375 -21.916 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.590 -21.583 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.187 -19.264 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.504 -18.849 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.908 -20.491 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.709 -21.382 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.218 -19.807 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.000 -20.146 3.731 1.00 0.00 H new ATOM 691 N ILE A 43 2.401 -18.511 0.916 1.00 0.00 N ATOM 692 CA ILE A 43 1.502 -17.369 0.767 1.00 0.00 C ATOM 693 C ILE A 43 0.245 -17.757 -0.014 1.00 0.00 C ATOM 694 O ILE A 43 -0.860 -17.730 0.529 1.00 0.00 O ATOM 695 CB ILE A 43 2.200 -16.174 0.071 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.614 -15.973 0.633 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.376 -14.906 0.240 1.00 0.00 C ATOM 698 CD1 ILE A 43 4.377 -14.844 -0.027 1.00 0.00 C ATOM 0 H ILE A 43 3.195 -18.511 0.276 1.00 0.00 H new ATOM 0 HA ILE A 43 1.216 -17.060 1.772 1.00 0.00 H new ATOM 0 HB ILE A 43 2.281 -16.395 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.545 -15.777 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.177 -16.898 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.880 -14.076 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.392 -15.050 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.265 -14.683 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.367 -14.762 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.478 -15.048 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.836 -13.908 0.114 1.00 0.00 H new ATOM 710 N LYS A 44 0.424 -18.112 -1.290 1.00 0.00 N ATOM 711 CA LYS A 44 -0.683 -18.510 -2.168 1.00 0.00 C ATOM 712 C LYS A 44 -1.465 -17.299 -2.694 1.00 0.00 C ATOM 713 O LYS A 44 -2.046 -17.364 -3.779 1.00 0.00 O ATOM 714 CB LYS A 44 -1.628 -19.474 -1.446 1.00 0.00 C ATOM 715 CG LYS A 44 -2.449 -20.348 -2.386 1.00 0.00 C ATOM 716 CD LYS A 44 -2.047 -21.814 -2.288 1.00 0.00 C ATOM 717 CE LYS A 44 -2.851 -22.552 -1.226 1.00 0.00 C ATOM 718 NZ LYS A 44 -4.315 -22.535 -1.512 1.00 0.00 N ATOM 0 H LYS A 44 1.337 -18.132 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.243 -19.018 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.044 -20.115 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.305 -18.899 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.508 -20.244 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.318 -20.003 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.193 -22.296 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.985 -21.885 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.507 -23.584 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.668 -22.097 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.687 -23.506 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.801 -21.953 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.479 -22.134 -2.457 1.00 0.00 H new ATOM 732 N HIS A 45 -1.480 -16.202 -1.929 1.00 0.00 N ATOM 733 CA HIS A 45 -2.197 -14.992 -2.334 1.00 0.00 C ATOM 734 C HIS A 45 -1.295 -13.749 -2.265 1.00 0.00 C ATOM 735 O HIS A 45 -1.437 -12.909 -1.373 1.00 0.00 O ATOM 736 CB HIS A 45 -3.460 -14.803 -1.477 1.00 0.00 C ATOM 737 CG HIS A 45 -3.215 -14.636 0.000 1.00 0.00 C ATOM 738 ND1 HIS A 45 -2.080 -14.715 0.739 1.00 0.00 N flip ATOM 739 CD2 HIS A 45 -4.226 -14.348 0.894 1.00 0.00 C flip ATOM 740 CE1 HIS A 45 -2.426 -14.478 2.047 1.00 0.00 C flip ATOM 741 NE2 HIS A 45 -3.726 -14.259 2.113 1.00 0.00 N flip ATOM 0 H HIS A 45 -1.005 -16.129 -1.029 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.499 -15.116 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.999 -13.928 -1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.112 -15.663 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.266 -14.216 0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.745 -14.472 2.885 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.255 -14.056 2.961 1.00 0.00 H new ATOM 750 N PRO A 46 -0.352 -13.619 -3.221 1.00 0.00 N ATOM 751 CA PRO A 46 0.581 -12.479 -3.283 1.00 0.00 C ATOM 752 C PRO A 46 -0.134 -11.130 -3.354 1.00 0.00 C ATOM 753 O PRO A 46 -1.348 -11.071 -3.565 1.00 0.00 O ATOM 754 CB PRO A 46 1.372 -12.729 -4.573 1.00 0.00 C ATOM 755 CG PRO A 46 1.236 -14.189 -4.834 1.00 0.00 C ATOM 756 CD PRO A 46 -0.121 -14.573 -4.320 1.00 0.00 C ATOM 0 HA PRO A 46 1.200 -12.422 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.973 -12.142 -5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.418 -12.445 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.326 -14.406 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.020 -14.751 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.883 -14.486 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.140 -15.604 -3.968 1.00 0.00 H new ATOM 764 N MET A 47 0.630 -10.048 -3.176 1.00 0.00 N ATOM 765 CA MET A 47 0.074 -8.697 -3.216 1.00 0.00 C ATOM 766 C MET A 47 1.160 -7.654 -3.493 1.00 0.00 C ATOM 767 O MET A 47 1.921 -7.288 -2.596 1.00 0.00 O ATOM 768 CB MET A 47 -0.628 -8.374 -1.893 1.00 0.00 C ATOM 769 CG MET A 47 -1.890 -7.544 -2.060 1.00 0.00 C ATOM 770 SD MET A 47 -1.539 -5.795 -2.319 1.00 0.00 S ATOM 771 CE MET A 47 -3.192 -5.111 -2.272 1.00 0.00 C ATOM 0 H MET A 47 1.635 -10.084 -3.003 1.00 0.00 H new ATOM 0 HA MET A 47 -0.650 -8.660 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.881 -9.307 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.066 -7.839 -1.245 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.462 -7.925 -2.906 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.516 -7.658 -1.175 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.146 -4.069 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.639 -5.171 -3.264 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.800 -5.677 -1.566 1.00 0.00 H new ATOM 781 N ASP A 48 1.218 -7.180 -4.738 1.00 0.00 N ATOM 782 CA ASP A 48 2.203 -6.172 -5.139 1.00 0.00 C ATOM 783 C ASP A 48 1.521 -4.841 -5.462 1.00 0.00 C ATOM 784 O ASP A 48 0.324 -4.801 -5.751 1.00 0.00 O ATOM 785 CB ASP A 48 3.003 -6.657 -6.354 1.00 0.00 C ATOM 786 CG ASP A 48 2.109 -7.079 -7.505 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.618 -8.226 -7.486 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.888 -6.259 -8.418 1.00 0.00 O ATOM 0 H ASP A 48 0.594 -7.478 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 48 2.886 -6.018 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.669 -5.861 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.632 -7.497 -6.059 1.00 0.00 H new ATOM 793 N LEU A 49 2.291 -3.753 -5.405 1.00 0.00 N ATOM 794 CA LEU A 49 1.764 -2.413 -5.683 1.00 0.00 C ATOM 795 C LEU A 49 1.142 -2.312 -7.080 1.00 0.00 C ATOM 796 O LEU A 49 0.157 -1.597 -7.267 1.00 0.00 O ATOM 797 CB LEU A 49 2.865 -1.357 -5.538 1.00 0.00 C ATOM 798 CG LEU A 49 2.692 -0.390 -4.362 1.00 0.00 C ATOM 799 CD1 LEU A 49 1.340 0.308 -4.431 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.853 -1.125 -3.040 1.00 0.00 C ATOM 0 H LEU A 49 3.283 -3.772 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 49 0.979 -2.228 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.823 -1.866 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.914 -0.777 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 49 3.469 0.372 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.239 0.990 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.268 0.870 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.544 -0.436 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.727 -0.423 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.100 -1.910 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.847 -1.569 -2.989 1.00 0.00 H new ATOM 812 N SER A 50 1.719 -3.017 -8.059 1.00 0.00 N ATOM 813 CA SER A 50 1.202 -2.980 -9.430 1.00 0.00 C ATOM 814 C SER A 50 -0.239 -3.482 -9.486 1.00 0.00 C ATOM 815 O SER A 50 -1.068 -2.925 -10.209 1.00 0.00 O ATOM 816 CB SER A 50 2.082 -3.807 -10.372 1.00 0.00 C ATOM 817 OG SER A 50 3.071 -2.998 -10.988 1.00 0.00 O ATOM 0 H SER A 50 2.536 -3.614 -7.929 1.00 0.00 H new ATOM 0 HA SER A 50 1.221 -1.941 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.561 -4.612 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.462 -4.275 -11.137 1.00 0.00 H new ATOM 0 HG SER A 50 3.621 -3.550 -11.583 1.00 0.00 H new ATOM 823 N THR A 51 -0.538 -4.525 -8.710 1.00 0.00 N ATOM 824 CA THR A 51 -1.888 -5.083 -8.670 1.00 0.00 C ATOM 825 C THR A 51 -2.846 -4.107 -7.982 1.00 0.00 C ATOM 826 O THR A 51 -3.993 -3.952 -8.403 1.00 0.00 O ATOM 827 CB THR A 51 -1.896 -6.439 -7.951 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.040 -7.358 -8.606 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.269 -7.071 -7.880 1.00 0.00 C ATOM 0 H THR A 51 0.133 -4.997 -8.104 1.00 0.00 H new ATOM 0 HA THR A 51 -2.225 -5.239 -9.695 1.00 0.00 H new ATOM 0 HB THR A 51 -1.554 -6.229 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.057 -8.216 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.203 -8.027 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.947 -6.410 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.648 -7.233 -8.889 1.00 0.00 H new ATOM 837 N VAL A 52 -2.360 -3.442 -6.930 1.00 0.00 N ATOM 838 CA VAL A 52 -3.166 -2.468 -6.191 1.00 0.00 C ATOM 839 C VAL A 52 -3.653 -1.348 -7.110 1.00 0.00 C ATOM 840 O VAL A 52 -4.805 -0.917 -7.021 1.00 0.00 O ATOM 841 CB VAL A 52 -2.368 -1.840 -5.025 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.257 -0.927 -4.192 1.00 0.00 C ATOM 843 CG2 VAL A 52 -1.737 -2.920 -4.156 1.00 0.00 C ATOM 0 H VAL A 52 -1.412 -3.561 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.022 -3.010 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.566 -1.237 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.675 -0.496 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.648 -0.127 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.086 -1.503 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.181 -2.454 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.519 -3.557 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.059 -3.523 -4.760 1.00 0.00 H new ATOM 853 N LYS A 53 -2.769 -0.885 -7.994 1.00 0.00 N ATOM 854 CA LYS A 53 -3.104 0.182 -8.933 1.00 0.00 C ATOM 855 C LYS A 53 -4.285 -0.216 -9.819 1.00 0.00 C ATOM 856 O LYS A 53 -5.164 0.599 -10.090 1.00 0.00 O ATOM 857 CB LYS A 53 -1.891 0.525 -9.801 1.00 0.00 C ATOM 858 CG LYS A 53 -1.975 1.898 -10.450 1.00 0.00 C ATOM 859 CD LYS A 53 -0.634 2.614 -10.418 1.00 0.00 C ATOM 860 CE LYS A 53 -0.741 4.039 -10.944 1.00 0.00 C ATOM 861 NZ LYS A 53 -1.842 4.804 -10.291 1.00 0.00 N ATOM 0 H LYS A 53 -1.814 -1.234 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.390 1.061 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.991 0.477 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.787 -0.230 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.308 1.793 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.722 2.500 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.256 2.631 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.089 2.059 -11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.204 4.556 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.908 4.015 -12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.693 5.822 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.753 4.522 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.848 4.601 -9.271 1.00 0.00 H new ATOM 875 N ARG A 54 -4.300 -1.475 -10.261 1.00 0.00 N ATOM 876 CA ARG A 54 -5.378 -1.981 -11.110 1.00 0.00 C ATOM 877 C ARG A 54 -6.728 -1.862 -10.402 1.00 0.00 C ATOM 878 O ARG A 54 -7.719 -1.452 -11.007 1.00 0.00 O ATOM 879 CB ARG A 54 -5.115 -3.442 -11.497 1.00 0.00 C ATOM 880 CG ARG A 54 -4.404 -3.605 -12.833 1.00 0.00 C ATOM 881 CD ARG A 54 -2.988 -3.050 -12.787 1.00 0.00 C ATOM 882 NE ARG A 54 -2.718 -2.141 -13.901 1.00 0.00 N ATOM 883 CZ ARG A 54 -1.511 -1.647 -14.188 1.00 0.00 C ATOM 884 NH1 ARG A 54 -0.457 -1.957 -13.435 1.00 0.00 N ATOM 885 NH2 ARG A 54 -1.357 -0.837 -15.228 1.00 0.00 N ATOM 0 H ARG A 54 -3.578 -2.162 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.407 -1.376 -12.016 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.516 -3.912 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.065 -3.975 -11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.373 -4.661 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.970 -3.094 -13.612 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.836 -2.524 -11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.275 -3.874 -12.811 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.500 -1.868 -14.496 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.568 -2.576 -12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.461 -1.575 -13.661 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.160 -0.592 -15.807 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.435 -0.459 -15.448 1.00 0.00 H new ATOM 899 N LYS A 55 -6.758 -2.217 -9.116 1.00 0.00 N ATOM 900 CA LYS A 55 -7.988 -2.143 -8.330 1.00 0.00 C ATOM 901 C LYS A 55 -8.416 -0.689 -8.123 1.00 0.00 C ATOM 902 O LYS A 55 -9.587 -0.353 -8.296 1.00 0.00 O ATOM 903 CB LYS A 55 -7.802 -2.826 -6.972 1.00 0.00 C ATOM 904 CG LYS A 55 -7.659 -4.338 -7.056 1.00 0.00 C ATOM 905 CD LYS A 55 -6.466 -4.829 -6.251 1.00 0.00 C ATOM 906 CE LYS A 55 -6.477 -6.343 -6.100 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.523 -6.806 -5.144 1.00 0.00 N ATOM 0 H LYS A 55 -5.947 -2.557 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.770 -2.662 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.917 -2.414 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.654 -2.586 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.569 -4.812 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.544 -4.637 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.543 -4.518 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.476 -4.364 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.648 -6.802 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.499 -6.679 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.396 -7.821 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.439 -6.275 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.465 -6.645 -5.555 1.00 0.00 H new ATOM 921 N MET A 56 -7.463 0.171 -7.758 1.00 0.00 N ATOM 922 CA MET A 56 -7.755 1.588 -7.535 1.00 0.00 C ATOM 923 C MET A 56 -8.163 2.274 -8.840 1.00 0.00 C ATOM 924 O MET A 56 -9.008 3.169 -8.840 1.00 0.00 O ATOM 925 CB MET A 56 -6.542 2.304 -6.929 1.00 0.00 C ATOM 926 CG MET A 56 -6.165 1.804 -5.542 1.00 0.00 C ATOM 927 SD MET A 56 -5.231 3.020 -4.592 1.00 0.00 S ATOM 928 CE MET A 56 -6.518 3.696 -3.545 1.00 0.00 C ATOM 0 H MET A 56 -6.487 -0.087 -7.611 1.00 0.00 H new ATOM 0 HA MET A 56 -8.587 1.648 -6.834 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.688 2.179 -7.595 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.751 3.372 -6.876 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.071 1.541 -4.996 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.575 0.893 -5.637 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.094 4.464 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.299 4.135 -4.166 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.945 2.901 -2.934 1.00 0.00 H new ATOM 938 N GLU A 57 -7.560 1.842 -9.947 1.00 0.00 N ATOM 939 CA GLU A 57 -7.860 2.405 -11.264 1.00 0.00 C ATOM 940 C GLU A 57 -9.240 1.969 -11.755 1.00 0.00 C ATOM 941 O GLU A 57 -9.910 2.705 -12.479 1.00 0.00 O ATOM 942 CB GLU A 57 -6.794 1.989 -12.280 1.00 0.00 C ATOM 943 CG GLU A 57 -5.540 2.849 -12.229 1.00 0.00 C ATOM 944 CD GLU A 57 -4.621 2.635 -13.419 1.00 0.00 C ATOM 945 OE1 GLU A 57 -5.130 2.402 -14.536 1.00 0.00 O ATOM 946 OE2 GLU A 57 -3.389 2.704 -13.232 1.00 0.00 O ATOM 0 H GLU A 57 -6.859 1.102 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.858 3.491 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.520 0.949 -12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.219 2.039 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.829 3.899 -12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.994 2.630 -11.312 1.00 0.00 H new ATOM 953 N ASN A 58 -9.661 0.770 -11.353 1.00 0.00 N ATOM 954 CA ASN A 58 -10.959 0.237 -11.745 1.00 0.00 C ATOM 955 C ASN A 58 -11.988 0.419 -10.627 1.00 0.00 C ATOM 956 O ASN A 58 -13.150 0.039 -10.781 1.00 0.00 O ATOM 957 CB ASN A 58 -10.828 -1.248 -12.105 1.00 0.00 C ATOM 958 CG ASN A 58 -10.966 -1.500 -13.596 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.027 -1.905 -14.071 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.893 -1.262 -14.344 1.00 0.00 N ATOM 0 H ASN A 58 -9.117 0.150 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.306 0.789 -12.618 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.860 -1.617 -11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.590 -1.816 -11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.930 -1.415 -15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.033 -0.927 -13.910 1.00 0.00 H new ATOM 967 N ARG A 59 -11.557 0.998 -9.497 1.00 0.00 N ATOM 968 CA ARG A 59 -12.437 1.222 -8.359 1.00 0.00 C ATOM 969 C ARG A 59 -12.945 -0.107 -7.793 1.00 0.00 C ATOM 970 O ARG A 59 -14.092 -0.212 -7.353 1.00 0.00 O ATOM 971 CB ARG A 59 -13.609 2.114 -8.771 1.00 0.00 C ATOM 972 CG ARG A 59 -14.316 2.769 -7.597 1.00 0.00 C ATOM 973 CD ARG A 59 -15.621 3.422 -8.023 1.00 0.00 C ATOM 974 NE ARG A 59 -15.938 4.602 -7.218 1.00 0.00 N ATOM 975 CZ ARG A 59 -16.470 4.552 -5.993 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.756 3.382 -5.425 1.00 0.00 N ATOM 977 NH2 ARG A 59 -16.719 5.678 -5.337 1.00 0.00 N ATOM 0 H ARG A 59 -10.599 1.318 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.870 1.726 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.245 2.890 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.329 1.518 -9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.516 2.022 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.663 3.518 -7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.557 3.707 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.432 2.698 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.741 5.520 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.569 2.513 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.162 3.355 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.504 6.577 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.125 5.644 -4.402 1.00 0.00 H new ATOM 991 N ASP A 60 -12.073 -1.118 -7.802 1.00 0.00 N ATOM 992 CA ASP A 60 -12.419 -2.442 -7.286 1.00 0.00 C ATOM 993 C ASP A 60 -12.661 -2.397 -5.778 1.00 0.00 C ATOM 994 O ASP A 60 -13.482 -3.148 -5.249 1.00 0.00 O ATOM 995 CB ASP A 60 -11.305 -3.442 -7.599 1.00 0.00 C ATOM 996 CG ASP A 60 -11.665 -4.866 -7.208 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.847 -5.244 -7.349 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.761 -5.602 -6.761 1.00 0.00 O ATOM 0 H ASP A 60 -11.121 -1.044 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.339 -2.762 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.082 -3.408 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.398 -3.144 -7.074 1.00 0.00 H new ATOM 1003 N TYR A 61 -11.941 -1.508 -5.095 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.074 -1.353 -3.650 1.00 0.00 C ATOM 1005 C TYR A 61 -13.456 -0.812 -3.288 1.00 0.00 C ATOM 1006 O TYR A 61 -14.073 -1.262 -2.324 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.992 -0.413 -3.115 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.586 -0.948 -3.276 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.065 -1.865 -2.372 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.778 -0.530 -4.327 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -7.781 -2.353 -2.513 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.493 -1.014 -4.473 1.00 0.00 C ATOM 1013 CZ TYR A 61 -6.999 -1.923 -3.562 1.00 0.00 C ATOM 1014 OH TYR A 61 -5.717 -2.407 -3.705 1.00 0.00 O ATOM 0 H TYR A 61 -11.258 -0.883 -5.522 1.00 0.00 H new ATOM 0 HA TYR A 61 -11.953 -2.334 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.068 0.544 -3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.180 -0.222 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.674 -2.202 -1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.161 0.184 -5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.392 -3.069 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.878 -0.682 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.349 -2.624 -2.823 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.929 0.164 -4.071 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.240 0.785 -3.850 1.00 0.00 C ATOM 1026 C ARG A 62 -15.268 1.646 -2.579 1.00 0.00 C ATOM 1027 O ARG A 62 -16.306 2.220 -2.242 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.342 -0.281 -3.789 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.170 -1.391 -4.813 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.360 -2.340 -4.827 1.00 0.00 C ATOM 1031 NE ARG A 62 -16.977 -3.686 -5.256 1.00 0.00 N ATOM 1032 CZ ARG A 62 -17.695 -4.786 -5.009 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -18.845 -4.710 -4.344 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -17.263 -5.968 -5.433 1.00 0.00 N ATOM 0 H ARG A 62 -13.419 0.543 -4.869 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.426 1.444 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.359 -0.718 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.309 0.198 -3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.042 -0.954 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.262 -1.951 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.799 -2.387 -3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.128 -1.950 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.106 -3.791 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.186 -3.806 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.385 -5.556 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.384 -6.036 -5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.810 -6.808 -5.245 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.128 1.743 -1.884 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.031 2.541 -0.663 1.00 0.00 C ATOM 1050 C ASP A 63 -12.612 2.508 -0.099 1.00 0.00 C ATOM 1051 O ASP A 63 -11.804 1.655 -0.476 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.019 2.036 0.394 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.744 3.168 1.096 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.369 3.995 0.399 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.683 3.230 2.342 1.00 0.00 O ATOM 0 H ASP A 63 -13.261 1.277 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.281 3.570 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.749 1.379 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.484 1.438 1.132 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.316 3.434 0.815 1.00 0.00 N ATOM 1061 CA ALA A 64 -10.996 3.501 1.439 1.00 0.00 C ATOM 1062 C ALA A 64 -10.801 2.360 2.434 1.00 0.00 C ATOM 1063 O ALA A 64 -9.687 1.862 2.609 1.00 0.00 O ATOM 1064 CB ALA A 64 -10.793 4.844 2.125 1.00 0.00 C ATOM 0 H ALA A 64 -12.972 4.146 1.138 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.249 3.397 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.804 4.873 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.876 5.644 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.553 4.978 2.894 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.892 1.945 3.079 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.844 0.856 4.050 1.00 0.00 C ATOM 1072 C GLN A 65 -11.315 -0.424 3.406 1.00 0.00 C ATOM 1073 O GLN A 65 -10.536 -1.159 4.017 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.238 0.605 4.631 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.244 0.381 6.134 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.390 1.098 6.822 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.204 0.477 7.504 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.460 2.413 6.645 1.00 0.00 N ATOM 0 H GLN A 65 -12.819 2.348 2.945 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.166 1.147 4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.878 1.456 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.674 -0.266 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.312 -0.687 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.299 0.726 6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.763 2.888 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.210 2.947 7.083 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.739 -0.683 2.169 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.306 -1.875 1.444 1.00 0.00 C ATOM 1089 C GLU A 66 -9.809 -1.825 1.142 1.00 0.00 C ATOM 1090 O GLU A 66 -9.116 -2.837 1.246 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.102 -2.032 0.147 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.297 -2.962 0.282 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.523 -2.264 0.840 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.455 -1.766 1.981 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -15.551 -2.217 0.134 1.00 0.00 O ATOM 0 H GLU A 66 -12.381 -0.084 1.650 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.495 -2.740 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.449 -1.051 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.441 -2.412 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.537 -3.383 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.032 -3.796 0.932 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.315 -0.642 0.777 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.897 -0.464 0.473 1.00 0.00 C ATOM 1104 C PHE A 67 -7.039 -0.834 1.680 1.00 0.00 C ATOM 1105 O PHE A 67 -6.042 -1.545 1.548 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.624 0.986 0.058 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.180 1.278 -0.258 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.419 0.388 -1.001 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.589 2.448 0.188 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.096 0.664 -1.292 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.267 2.727 -0.099 1.00 0.00 C ATOM 1112 CZ PHE A 67 -3.520 1.834 -0.839 1.00 0.00 C ATOM 0 H PHE A 67 -9.875 0.205 0.685 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.636 -1.125 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.230 1.222 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.950 1.649 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.864 -0.530 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.169 3.151 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.513 -0.035 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.819 3.643 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.486 2.050 -1.064 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.441 -0.349 2.857 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.716 -0.628 4.096 1.00 0.00 C ATOM 1124 C ALA A 68 -6.573 -2.130 4.324 1.00 0.00 C ATOM 1125 O ALA A 68 -5.499 -2.609 4.693 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.417 0.021 5.282 1.00 0.00 C ATOM 0 H ALA A 68 -8.266 0.239 2.977 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.717 -0.202 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.864 -0.197 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.461 1.100 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.429 -0.375 5.368 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.660 -2.870 4.096 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.653 -4.320 4.269 1.00 0.00 C ATOM 1134 C ALA A 69 -6.620 -4.972 3.353 1.00 0.00 C ATOM 1135 O ALA A 69 -5.879 -5.861 3.773 1.00 0.00 O ATOM 1136 CB ALA A 69 -9.038 -4.897 4.005 1.00 0.00 C ATOM 0 H ALA A 69 -8.555 -2.487 3.791 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.378 -4.537 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.013 -5.978 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.753 -4.461 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.340 -4.665 2.984 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.574 -4.519 2.100 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.628 -5.054 1.124 1.00 0.00 C ATOM 1144 C ASP A 70 -4.188 -4.732 1.519 1.00 0.00 C ATOM 1145 O ASP A 70 -3.298 -5.573 1.378 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.927 -4.498 -0.271 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.784 -5.439 -1.096 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.216 -6.327 -1.767 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -8.023 -5.287 -1.072 1.00 0.00 O ATOM 0 H ASP A 70 -7.181 -3.783 1.738 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.743 -6.138 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.434 -3.538 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.989 -4.312 -0.794 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.963 -3.515 2.017 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.627 -3.097 2.434 1.00 0.00 C ATOM 1156 C VAL A 71 -2.102 -3.988 3.563 1.00 0.00 C ATOM 1157 O VAL A 71 -0.931 -4.369 3.568 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.603 -1.622 2.896 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.181 -1.187 3.217 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.218 -0.709 1.840 1.00 0.00 C ATOM 0 H VAL A 71 -4.686 -2.806 2.140 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.981 -3.197 1.562 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.203 -1.541 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.183 -0.146 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.780 -1.814 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.560 -1.289 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.189 0.323 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.653 -0.794 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.253 -1.003 1.663 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.980 -4.322 4.512 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.609 -5.174 5.642 1.00 0.00 C ATOM 1172 C ARG A 72 -2.074 -6.526 5.160 1.00 0.00 C ATOM 1173 O ARG A 72 -1.093 -7.038 5.700 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.814 -5.385 6.566 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.438 -5.625 8.023 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.652 -4.379 8.874 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.746 -4.693 10.302 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.795 -5.300 10.868 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -5.840 -5.671 10.132 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.797 -5.537 12.175 1.00 0.00 N ATOM 0 H ARG A 72 -3.953 -4.015 4.519 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.817 -4.672 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.462 -4.511 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.392 -6.236 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.035 -6.445 8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.394 -5.932 8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.829 -3.684 8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.564 -3.875 8.554 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.963 -4.433 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.845 -5.493 9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.635 -6.133 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.999 -5.256 12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.596 -6.000 12.608 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.719 -7.094 4.137 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.303 -8.383 3.577 1.00 0.00 C ATOM 1196 C LEU A 73 -0.878 -8.303 3.027 1.00 0.00 C ATOM 1197 O LEU A 73 -0.065 -9.200 3.253 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.269 -8.823 2.471 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.119 -10.278 2.012 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.414 -10.779 1.389 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -1.966 -10.414 1.028 1.00 0.00 C ATOM 0 H LEU A 73 -3.532 -6.681 3.680 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.323 -9.122 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.290 -8.673 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.130 -8.171 1.609 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.898 -10.891 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.288 -11.813 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.217 -10.722 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.666 -10.161 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.876 -11.454 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.155 -9.787 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.039 -10.098 1.507 1.00 0.00 H new ATOM 1213 N MET A 74 -0.584 -7.220 2.308 1.00 0.00 N ATOM 1214 CA MET A 74 0.743 -7.015 1.730 1.00 0.00 C ATOM 1215 C MET A 74 1.808 -6.952 2.825 1.00 0.00 C ATOM 1216 O MET A 74 2.901 -7.499 2.673 1.00 0.00 O ATOM 1217 CB MET A 74 0.768 -5.724 0.907 1.00 0.00 C ATOM 1218 CG MET A 74 2.074 -5.496 0.159 1.00 0.00 C ATOM 1219 SD MET A 74 2.415 -3.749 -0.132 1.00 0.00 S ATOM 1220 CE MET A 74 0.908 -3.237 -0.953 1.00 0.00 C ATOM 0 H MET A 74 -1.248 -6.471 2.112 1.00 0.00 H new ATOM 0 HA MET A 74 0.964 -7.860 1.078 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.052 -5.746 0.189 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.588 -4.878 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.895 -5.932 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.036 -6.019 -0.797 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.969 -2.176 -1.197 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.779 -3.813 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.058 -3.410 -0.293 1.00 0.00 H new ATOM 1230 N PHE A 75 1.478 -6.277 3.927 1.00 0.00 N ATOM 1231 CA PHE A 75 2.402 -6.135 5.051 1.00 0.00 C ATOM 1232 C PHE A 75 2.564 -7.455 5.806 1.00 0.00 C ATOM 1233 O PHE A 75 3.662 -7.787 6.252 1.00 0.00 O ATOM 1234 CB PHE A 75 1.920 -5.036 6.003 1.00 0.00 C ATOM 1235 CG PHE A 75 2.196 -3.644 5.504 1.00 0.00 C ATOM 1236 CD1 PHE A 75 1.827 -3.263 4.222 1.00 0.00 C ATOM 1237 CD2 PHE A 75 2.831 -2.717 6.314 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.083 -1.986 3.762 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.090 -1.438 5.858 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.716 -1.073 4.581 1.00 0.00 C ATOM 0 H PHE A 75 0.577 -5.820 4.064 1.00 0.00 H new ATOM 0 HA PHE A 75 3.376 -5.854 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.848 -5.150 6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.403 -5.168 6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.333 -3.974 3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.127 -2.997 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.788 -1.702 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.585 -0.725 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.918 -0.074 4.223 1.00 0.00 H new ATOM 1250 N SER A 76 1.469 -8.209 5.942 1.00 0.00 N ATOM 1251 CA SER A 76 1.509 -9.494 6.639 1.00 0.00 C ATOM 1252 C SER A 76 2.311 -10.526 5.844 1.00 0.00 C ATOM 1253 O SER A 76 2.988 -11.376 6.425 1.00 0.00 O ATOM 1254 CB SER A 76 0.092 -10.021 6.900 1.00 0.00 C ATOM 1255 OG SER A 76 -0.668 -10.080 5.704 1.00 0.00 O ATOM 0 H SER A 76 0.550 -7.952 5.581 1.00 0.00 H new ATOM 0 HA SER A 76 2.004 -9.332 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.148 -11.014 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.411 -9.376 7.620 1.00 0.00 H new ATOM 0 HG SER A 76 -0.121 -9.768 4.953 1.00 0.00 H new ATOM 1261 N ASN A 77 2.232 -10.446 4.513 1.00 0.00 N ATOM 1262 CA ASN A 77 2.955 -11.374 3.646 1.00 0.00 C ATOM 1263 C ASN A 77 4.463 -11.198 3.798 1.00 0.00 C ATOM 1264 O ASN A 77 5.194 -12.174 3.950 1.00 0.00 O ATOM 1265 CB ASN A 77 2.558 -11.169 2.179 1.00 0.00 C ATOM 1266 CG ASN A 77 1.300 -11.930 1.801 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.727 -12.655 2.615 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.861 -11.770 0.556 1.00 0.00 N ATOM 0 H ASN A 77 1.676 -9.750 4.016 1.00 0.00 H new ATOM 0 HA ASN A 77 2.686 -12.386 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.404 -10.106 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.378 -11.489 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.021 -12.257 0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.365 -11.160 -0.088 1.00 0.00 H new ATOM 1275 N CYS A 78 4.920 -9.947 3.756 1.00 0.00 N ATOM 1276 CA CYS A 78 6.345 -9.645 3.888 1.00 0.00 C ATOM 1277 C CYS A 78 6.892 -10.116 5.237 1.00 0.00 C ATOM 1278 O CYS A 78 8.029 -10.578 5.322 1.00 0.00 O ATOM 1279 CB CYS A 78 6.590 -8.143 3.722 1.00 0.00 C ATOM 1280 SG CYS A 78 7.082 -7.661 2.051 1.00 0.00 S ATOM 0 H CYS A 78 4.325 -9.128 3.632 1.00 0.00 H new ATOM 0 HA CYS A 78 6.872 -10.183 3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.681 -7.605 3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.365 -7.832 4.422 1.00 0.00 H new ATOM 0 HG CYS A 78 7.101 -6.364 1.961 1.00 0.00 H new ATOM 1286 N TYR A 79 6.078 -9.995 6.286 1.00 0.00 N ATOM 1287 CA TYR A 79 6.486 -10.406 7.627 1.00 0.00 C ATOM 1288 C TYR A 79 6.580 -11.930 7.736 1.00 0.00 C ATOM 1289 O TYR A 79 7.617 -12.468 8.125 1.00 0.00 O ATOM 1290 CB TYR A 79 5.499 -9.868 8.667 1.00 0.00 C ATOM 1291 CG TYR A 79 6.162 -9.190 9.848 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.551 -7.858 9.782 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.392 -9.883 11.030 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.152 -7.236 10.860 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.992 -9.268 12.112 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.370 -7.945 12.023 1.00 0.00 C ATOM 1297 OH TYR A 79 7.967 -7.328 13.099 1.00 0.00 O ATOM 0 H TYR A 79 5.133 -9.616 6.232 1.00 0.00 H new ATOM 0 HA TYR A 79 7.475 -9.990 7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.827 -9.159 8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.885 -10.692 9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.381 -7.299 8.873 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.097 -10.919 11.104 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.449 -6.200 10.792 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.164 -9.821 13.023 1.00 0.00 H new ATOM 0 HH TYR A 79 8.046 -7.966 13.839 1.00 0.00 H new ATOM 1307 N LYS A 80 5.488 -12.616 7.399 1.00 0.00 N ATOM 1308 CA LYS A 80 5.439 -14.077 7.468 1.00 0.00 C ATOM 1309 C LYS A 80 6.422 -14.723 6.488 1.00 0.00 C ATOM 1310 O LYS A 80 7.119 -15.676 6.841 1.00 0.00 O ATOM 1311 CB LYS A 80 4.017 -14.573 7.187 1.00 0.00 C ATOM 1312 CG LYS A 80 3.645 -15.836 7.953 1.00 0.00 C ATOM 1313 CD LYS A 80 2.241 -15.748 8.536 1.00 0.00 C ATOM 1314 CE LYS A 80 1.178 -15.741 7.445 1.00 0.00 C ATOM 1315 NZ LYS A 80 0.735 -17.118 7.079 1.00 0.00 N ATOM 0 H LYS A 80 4.623 -12.183 7.075 1.00 0.00 H new ATOM 0 HA LYS A 80 5.732 -14.370 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.310 -13.783 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.913 -14.763 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.710 -16.697 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.363 -15.999 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.071 -16.592 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.152 -14.843 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.318 -15.162 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.572 -15.241 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.012 -17.063 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.549 -17.664 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.335 -17.588 7.916 1.00 0.00 H new ATOM 1329 N TYR A 81 6.468 -14.207 5.260 1.00 0.00 N ATOM 1330 CA TYR A 81 7.361 -14.738 4.229 1.00 0.00 C ATOM 1331 C TYR A 81 8.828 -14.546 4.618 1.00 0.00 C ATOM 1332 O TYR A 81 9.573 -15.518 4.750 1.00 0.00 O ATOM 1333 CB TYR A 81 7.073 -14.060 2.885 1.00 0.00 C ATOM 1334 CG TYR A 81 7.653 -14.779 1.683 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.431 -16.137 1.480 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.415 -14.093 0.747 1.00 0.00 C ATOM 1337 CE1 TYR A 81 7.953 -16.788 0.378 1.00 0.00 C ATOM 1338 CE2 TYR A 81 8.942 -14.737 -0.356 1.00 0.00 C ATOM 1339 CZ TYR A 81 8.708 -16.084 -0.537 1.00 0.00 C ATOM 1340 OH TYR A 81 9.228 -16.729 -1.637 1.00 0.00 O ATOM 0 H TYR A 81 5.896 -13.420 4.954 1.00 0.00 H new ATOM 0 HA TYR A 81 7.176 -15.808 4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.994 -13.978 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.469 -13.045 2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.841 -16.692 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.599 -13.038 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.771 -17.843 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.534 -14.188 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 81 8.638 -17.469 -1.891 1.00 0.00 H new ATOM 1350 N ASN A 82 9.236 -13.290 4.807 1.00 0.00 N ATOM 1351 CA ASN A 82 10.613 -12.980 5.187 1.00 0.00 C ATOM 1352 C ASN A 82 10.668 -12.421 6.609 1.00 0.00 C ATOM 1353 O ASN A 82 10.111 -11.358 6.884 1.00 0.00 O ATOM 1354 CB ASN A 82 11.231 -11.978 4.205 1.00 0.00 C ATOM 1355 CG ASN A 82 11.721 -12.642 2.931 1.00 0.00 C ATOM 1356 OD1 ASN A 82 10.923 -13.047 2.085 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.038 -12.759 2.784 1.00 0.00 N ATOM 0 H ASN A 82 8.633 -12.474 4.703 1.00 0.00 H new ATOM 0 HA ASN A 82 11.189 -13.905 5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.492 -11.217 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.064 -11.467 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.421 -13.198 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.665 -12.410 3.509 1.00 0.00 H new ATOM 1364 N PRO A 83 11.341 -13.134 7.537 1.00 0.00 N ATOM 1365 CA PRO A 83 11.464 -12.698 8.936 1.00 0.00 C ATOM 1366 C PRO A 83 12.090 -11.308 9.055 1.00 0.00 C ATOM 1367 O PRO A 83 12.880 -10.901 8.199 1.00 0.00 O ATOM 1368 CB PRO A 83 12.380 -13.753 9.568 1.00 0.00 C ATOM 1369 CG PRO A 83 12.263 -14.946 8.682 1.00 0.00 C ATOM 1370 CD PRO A 83 12.033 -14.413 7.297 1.00 0.00 C ATOM 0 HA PRO A 83 10.492 -12.619 9.422 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.410 -13.400 9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.070 -13.986 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.169 -15.551 8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.438 -15.586 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.971 -14.269 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.426 -15.093 6.700 1.00 0.00 H new ATOM 1378 N PRO A 84 11.739 -10.552 10.117 1.00 0.00 N ATOM 1379 CA PRO A 84 12.267 -9.201 10.330 1.00 0.00 C ATOM 1380 C PRO A 84 13.767 -9.188 10.593 1.00 0.00 C ATOM 1381 O PRO A 84 14.241 -9.675 11.622 1.00 0.00 O ATOM 1382 CB PRO A 84 11.500 -8.688 11.548 1.00 0.00 C ATOM 1383 CG PRO A 84 10.998 -9.909 12.242 1.00 0.00 C ATOM 1384 CD PRO A 84 10.796 -10.952 11.176 1.00 0.00 C ATOM 0 HA PRO A 84 12.135 -8.580 9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.147 -8.102 12.202 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.677 -8.039 11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.713 -10.252 12.990 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.064 -9.702 12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.013 -11.953 11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.768 -10.962 10.814 1.00 0.00 H new ATOM 1392 N ASP A 85 14.499 -8.613 9.647 1.00 0.00 N ATOM 1393 CA ASP A 85 15.956 -8.506 9.734 1.00 0.00 C ATOM 1394 C ASP A 85 16.518 -7.741 8.535 1.00 0.00 C ATOM 1395 O ASP A 85 17.387 -6.882 8.691 1.00 0.00 O ATOM 1396 CB ASP A 85 16.615 -9.890 9.826 1.00 0.00 C ATOM 1397 CG ASP A 85 15.937 -10.934 8.958 1.00 0.00 C ATOM 1398 OD1 ASP A 85 16.096 -10.874 7.722 1.00 0.00 O ATOM 1399 OD2 ASP A 85 15.250 -11.813 9.516 1.00 0.00 O ATOM 0 H ASP A 85 14.104 -8.208 8.799 1.00 0.00 H new ATOM 0 HA ASP A 85 16.187 -7.955 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.662 -9.807 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.600 -10.224 10.863 1.00 0.00 H new ATOM 1404 N HIS A 86 16.018 -8.058 7.337 1.00 0.00 N ATOM 1405 CA HIS A 86 16.473 -7.398 6.114 1.00 0.00 C ATOM 1406 C HIS A 86 15.780 -6.052 5.919 1.00 0.00 C ATOM 1407 O HIS A 86 14.886 -5.678 6.683 1.00 0.00 O ATOM 1408 CB HIS A 86 16.205 -8.277 4.890 1.00 0.00 C ATOM 1409 CG HIS A 86 17.037 -9.519 4.828 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.175 -9.712 5.582 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.888 -10.639 4.084 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.690 -10.896 5.303 1.00 0.00 C ATOM 1413 NE2 HIS A 86 17.926 -11.480 4.398 1.00 0.00 N ATOM 0 H HIS A 86 15.299 -8.767 7.190 1.00 0.00 H new ATOM 0 HA HIS A 86 17.546 -7.234 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.152 -8.559 4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.383 -7.689 3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.098 -10.835 3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 86 19.584 -11.315 5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.082 -12.405 3.998 1.00 0.00 H new ATOM 1422 N ASP A 87 16.194 -5.336 4.874 1.00 0.00 N ATOM 1423 CA ASP A 87 15.617 -4.034 4.553 1.00 0.00 C ATOM 1424 C ASP A 87 14.183 -4.174 4.050 1.00 0.00 C ATOM 1425 O ASP A 87 13.338 -3.330 4.339 1.00 0.00 O ATOM 1426 CB ASP A 87 16.461 -3.317 3.495 1.00 0.00 C ATOM 1427 CG ASP A 87 16.476 -1.812 3.690 1.00 0.00 C ATOM 1428 OD1 ASP A 87 15.427 -1.248 4.066 1.00 0.00 O ATOM 1429 OD2 ASP A 87 17.537 -1.197 3.466 1.00 0.00 O ATOM 0 H ASP A 87 16.929 -5.638 4.235 1.00 0.00 H new ATOM 0 HA ASP A 87 15.609 -3.444 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.482 -3.696 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.070 -3.548 2.504 1.00 0.00 H new ATOM 1434 N VAL A 88 13.918 -5.238 3.290 1.00 0.00 N ATOM 1435 CA VAL A 88 12.583 -5.478 2.740 1.00 0.00 C ATOM 1436 C VAL A 88 11.510 -5.451 3.830 1.00 0.00 C ATOM 1437 O VAL A 88 10.523 -4.722 3.718 1.00 0.00 O ATOM 1438 CB VAL A 88 12.503 -6.825 1.990 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.176 -6.944 1.249 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.673 -6.977 1.027 1.00 0.00 C ATOM 0 H VAL A 88 14.609 -5.946 3.042 1.00 0.00 H new ATOM 0 HA VAL A 88 12.397 -4.669 2.034 1.00 0.00 H new ATOM 0 HB VAL A 88 12.561 -7.630 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.136 -7.899 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.354 -6.887 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.088 -6.131 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.596 -7.933 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.652 -6.167 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.609 -6.940 1.584 1.00 0.00 H new ATOM 1450 N VAL A 89 11.708 -6.246 4.881 1.00 0.00 N ATOM 1451 CA VAL A 89 10.751 -6.305 5.985 1.00 0.00 C ATOM 1452 C VAL A 89 10.665 -4.961 6.710 1.00 0.00 C ATOM 1453 O VAL A 89 9.576 -4.511 7.072 1.00 0.00 O ATOM 1454 CB VAL A 89 11.117 -7.407 7.003 1.00 0.00 C ATOM 1455 CG1 VAL A 89 9.990 -7.597 8.008 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.434 -8.718 6.294 1.00 0.00 C ATOM 0 H VAL A 89 12.519 -6.855 4.991 1.00 0.00 H new ATOM 0 HA VAL A 89 9.782 -6.543 5.546 1.00 0.00 H new ATOM 0 HB VAL A 89 12.010 -7.092 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.264 -8.377 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.818 -6.663 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.080 -7.887 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.689 -9.478 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.564 -9.043 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.277 -8.572 5.618 1.00 0.00 H new ATOM 1466 N ALA A 90 11.818 -4.322 6.912 1.00 0.00 N ATOM 1467 CA ALA A 90 11.872 -3.025 7.586 1.00 0.00 C ATOM 1468 C ALA A 90 11.229 -1.930 6.734 1.00 0.00 C ATOM 1469 O ALA A 90 10.663 -0.975 7.266 1.00 0.00 O ATOM 1470 CB ALA A 90 13.311 -2.655 7.916 1.00 0.00 C ATOM 0 H ALA A 90 12.726 -4.682 6.619 1.00 0.00 H new ATOM 0 HA ALA A 90 11.307 -3.109 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.332 -1.687 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.740 -3.413 8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.893 -2.600 6.996 1.00 0.00 H new ATOM 1476 N MET A 91 11.319 -2.077 5.409 1.00 0.00 N ATOM 1477 CA MET A 91 10.745 -1.102 4.483 1.00 0.00 C ATOM 1478 C MET A 91 9.235 -0.986 4.688 1.00 0.00 C ATOM 1479 O MET A 91 8.675 0.110 4.623 1.00 0.00 O ATOM 1480 CB MET A 91 11.043 -1.498 3.030 1.00 0.00 C ATOM 1481 CG MET A 91 12.418 -1.067 2.540 1.00 0.00 C ATOM 1482 SD MET A 91 13.067 -2.154 1.256 1.00 0.00 S ATOM 1483 CE MET A 91 14.275 -1.082 0.481 1.00 0.00 C ATOM 0 H MET A 91 11.785 -2.863 4.955 1.00 0.00 H new ATOM 0 HA MET A 91 11.203 -0.134 4.687 1.00 0.00 H new ATOM 0 HB2 MET A 91 10.958 -2.580 2.935 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.284 -1.060 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.360 -0.049 2.154 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.111 -1.050 3.381 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.763 -1.614 -0.336 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.776 -0.195 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.022 -0.783 1.217 1.00 0.00 H new ATOM 1493 N ALA A 92 8.583 -2.121 4.944 1.00 0.00 N ATOM 1494 CA ALA A 92 7.141 -2.146 5.169 1.00 0.00 C ATOM 1495 C ALA A 92 6.787 -1.485 6.498 1.00 0.00 C ATOM 1496 O ALA A 92 5.874 -0.663 6.565 1.00 0.00 O ATOM 1497 CB ALA A 92 6.621 -3.578 5.131 1.00 0.00 C ATOM 0 H ALA A 92 9.033 -3.035 5.000 1.00 0.00 H new ATOM 0 HA ALA A 92 6.662 -1.581 4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.544 -3.579 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.835 -4.017 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.111 -4.164 5.909 1.00 0.00 H new ATOM 1503 N ARG A 93 7.518 -1.847 7.555 1.00 0.00 N ATOM 1504 CA ARG A 93 7.279 -1.283 8.884 1.00 0.00 C ATOM 1505 C ARG A 93 7.320 0.247 8.847 1.00 0.00 C ATOM 1506 O ARG A 93 6.507 0.910 9.491 1.00 0.00 O ATOM 1507 CB ARG A 93 8.313 -1.812 9.884 1.00 0.00 C ATOM 1508 CG ARG A 93 7.877 -1.689 11.338 1.00 0.00 C ATOM 1509 CD ARG A 93 8.197 -2.949 12.133 1.00 0.00 C ATOM 1510 NE ARG A 93 9.611 -3.316 12.047 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.581 -2.732 12.757 1.00 0.00 C ATOM 1512 NH1 ARG A 93 10.300 -1.744 13.603 1.00 0.00 N ATOM 1513 NH2 ARG A 93 11.840 -3.138 12.620 1.00 0.00 N ATOM 0 H ARG A 93 8.278 -2.526 7.516 1.00 0.00 H new ATOM 0 HA ARG A 93 6.285 -1.592 9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.517 -2.860 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.248 -1.269 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.375 -0.834 11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.805 -1.494 11.381 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.927 -2.795 13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.587 -3.773 11.764 1.00 0.00 H new ATOM 0 HE ARG A 93 9.873 -4.064 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.337 -1.426 13.714 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.047 -1.305 14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.064 -3.894 11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.581 -2.693 13.161 1.00 0.00 H new ATOM 1527 N LYS A 94 8.261 0.801 8.078 1.00 0.00 N ATOM 1528 CA LYS A 94 8.397 2.251 7.951 1.00 0.00 C ATOM 1529 C LYS A 94 7.166 2.862 7.274 1.00 0.00 C ATOM 1530 O LYS A 94 6.691 3.923 7.681 1.00 0.00 O ATOM 1531 CB LYS A 94 9.663 2.601 7.159 1.00 0.00 C ATOM 1532 CG LYS A 94 10.920 2.675 8.016 1.00 0.00 C ATOM 1533 CD LYS A 94 11.892 3.728 7.500 1.00 0.00 C ATOM 1534 CE LYS A 94 12.463 4.568 8.636 1.00 0.00 C ATOM 1535 NZ LYS A 94 13.922 4.827 8.469 1.00 0.00 N ATOM 0 H LYS A 94 8.939 0.266 7.535 1.00 0.00 H new ATOM 0 HA LYS A 94 8.479 2.671 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.810 1.855 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.516 3.560 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.646 2.906 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.410 1.702 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.705 3.241 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.382 4.377 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.931 5.518 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.293 4.057 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.266 5.402 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.435 3.923 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.084 5.338 7.578 1.00 0.00 H new ATOM 1549 N LEU A 95 6.650 2.185 6.246 1.00 0.00 N ATOM 1550 CA LEU A 95 5.471 2.667 5.525 1.00 0.00 C ATOM 1551 C LEU A 95 4.211 2.540 6.383 1.00 0.00 C ATOM 1552 O LEU A 95 3.302 3.366 6.285 1.00 0.00 O ATOM 1553 CB LEU A 95 5.288 1.899 4.211 1.00 0.00 C ATOM 1554 CG LEU A 95 5.359 2.756 2.943 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.787 2.824 2.423 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.424 2.208 1.871 1.00 0.00 C ATOM 0 H LEU A 95 7.028 1.305 5.895 1.00 0.00 H new ATOM 0 HA LEU A 95 5.630 3.721 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.053 1.125 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.323 1.393 4.235 1.00 0.00 H new ATOM 0 HG LEU A 95 5.037 3.766 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.817 3.437 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.431 3.265 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.138 1.819 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.489 2.831 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.714 1.187 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.400 2.214 2.244 1.00 0.00 H new ATOM 1568 N GLN A 96 4.161 1.503 7.223 1.00 0.00 N ATOM 1569 CA GLN A 96 3.011 1.275 8.097 1.00 0.00 C ATOM 1570 C GLN A 96 2.741 2.495 8.978 1.00 0.00 C ATOM 1571 O GLN A 96 1.590 2.890 9.167 1.00 0.00 O ATOM 1572 CB GLN A 96 3.237 0.039 8.975 1.00 0.00 C ATOM 1573 CG GLN A 96 1.984 -0.797 9.185 1.00 0.00 C ATOM 1574 CD GLN A 96 2.218 -1.982 10.104 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.601 -3.063 9.657 1.00 0.00 O ATOM 1576 NE2 GLN A 96 1.988 -1.784 11.397 1.00 0.00 N ATOM 0 H GLN A 96 4.903 0.810 7.315 1.00 0.00 H new ATOM 0 HA GLN A 96 2.141 1.105 7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.007 -0.584 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.618 0.358 9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.198 -0.168 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.626 -1.156 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.671 -0.872 11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.128 -2.544 12.062 1.00 0.00 H new ATOM 1585 N ASP A 97 3.810 3.090 9.511 1.00 0.00 N ATOM 1586 CA ASP A 97 3.688 4.267 10.369 1.00 0.00 C ATOM 1587 C ASP A 97 3.081 5.441 9.605 1.00 0.00 C ATOM 1588 O ASP A 97 2.237 6.166 10.133 1.00 0.00 O ATOM 1589 CB ASP A 97 5.055 4.663 10.933 1.00 0.00 C ATOM 1590 CG ASP A 97 5.384 3.937 12.223 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.747 4.238 13.255 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.280 3.067 12.202 1.00 0.00 O ATOM 0 H ASP A 97 4.769 2.775 9.363 1.00 0.00 H new ATOM 0 HA ASP A 97 3.024 4.012 11.194 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.826 4.449 10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.074 5.738 11.110 1.00 0.00 H new ATOM 1597 N VAL A 98 3.513 5.621 8.358 1.00 0.00 N ATOM 1598 CA VAL A 98 3.007 6.705 7.521 1.00 0.00 C ATOM 1599 C VAL A 98 1.514 6.528 7.242 1.00 0.00 C ATOM 1600 O VAL A 98 0.758 7.501 7.225 1.00 0.00 O ATOM 1601 CB VAL A 98 3.770 6.799 6.182 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.360 8.054 5.422 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.278 6.774 6.413 1.00 0.00 C ATOM 0 H VAL A 98 4.211 5.030 7.906 1.00 0.00 H new ATOM 0 HA VAL A 98 3.165 7.631 8.074 1.00 0.00 H new ATOM 0 HB VAL A 98 3.508 5.931 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.907 8.104 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.290 8.023 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.589 8.934 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.794 6.841 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.564 7.619 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.555 5.844 6.909 1.00 0.00 H new ATOM 1613 N PHE A 99 1.094 5.279 7.032 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.309 4.974 6.763 1.00 0.00 C ATOM 1615 C PHE A 99 -1.180 5.304 7.976 1.00 0.00 C ATOM 1616 O PHE A 99 -2.268 5.862 7.832 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.471 3.498 6.385 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.446 3.262 5.265 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.219 3.793 4.004 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.590 2.507 5.473 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.114 3.577 2.975 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.488 2.287 4.446 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.250 2.822 3.196 1.00 0.00 C ATOM 0 H PHE A 99 1.707 4.464 7.043 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.636 5.591 5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.501 3.097 6.098 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.799 2.942 7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.332 4.382 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.782 2.086 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.926 3.998 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.375 1.697 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.951 2.651 2.392 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.692 4.959 9.171 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.429 5.224 10.408 1.00 0.00 C ATOM 1635 C GLU A 100 -1.696 6.720 10.577 1.00 0.00 C ATOM 1636 O GLU A 100 -2.774 7.117 11.019 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.664 4.691 11.623 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.516 3.835 12.548 1.00 0.00 C ATOM 1639 CD GLU A 100 -1.607 4.404 13.951 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -2.502 5.240 14.197 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -0.783 4.013 14.805 1.00 0.00 O ATOM 0 H GLU A 100 0.207 4.497 9.307 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.385 4.705 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.187 4.103 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.262 5.533 12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.519 3.744 12.131 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.098 2.830 12.594 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.709 7.545 10.220 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.845 8.998 10.329 1.00 0.00 C ATOM 1650 C PHE A 101 -2.013 9.502 9.481 1.00 0.00 C ATOM 1651 O PHE A 101 -2.744 10.404 9.891 1.00 0.00 O ATOM 1652 CB PHE A 101 0.447 9.693 9.892 1.00 0.00 C ATOM 1653 CG PHE A 101 1.443 9.878 11.003 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.062 10.450 12.208 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.761 9.483 10.840 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.978 10.623 13.228 1.00 0.00 C ATOM 1657 CE2 PHE A 101 3.681 9.654 11.857 1.00 0.00 C ATOM 1658 CZ PHE A 101 3.289 10.224 13.053 1.00 0.00 C ATOM 0 H PHE A 101 0.190 7.232 9.854 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.043 9.237 11.374 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.910 9.111 9.095 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.200 10.668 9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.038 10.764 12.350 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.073 9.036 9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.669 11.070 14.161 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.706 9.342 11.717 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.006 10.357 13.850 1.00 0.00 H new ATOM 1668 N ARG A 102 -2.188 8.907 8.299 1.00 0.00 N ATOM 1669 CA ARG A 102 -3.274 9.293 7.399 1.00 0.00 C ATOM 1670 C ARG A 102 -4.626 8.837 7.953 1.00 0.00 C ATOM 1671 O ARG A 102 -5.654 9.454 7.678 1.00 0.00 O ATOM 1672 CB ARG A 102 -3.056 8.703 6.001 1.00 0.00 C ATOM 1673 CG ARG A 102 -2.299 9.625 5.055 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.923 9.981 5.596 1.00 0.00 C ATOM 1675 NE ARG A 102 -0.820 11.396 5.954 1.00 0.00 N ATOM 1676 CZ ARG A 102 -0.558 12.373 5.079 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -0.403 12.099 3.785 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -0.458 13.629 5.498 1.00 0.00 N ATOM 0 H ARG A 102 -1.593 8.158 7.945 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.276 10.380 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.509 7.765 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.025 8.464 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.194 9.142 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.875 10.537 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.710 9.370 6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.167 9.741 4.848 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.956 11.653 6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.484 11.138 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.203 12.851 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.581 13.848 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.258 14.375 4.831 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.617 7.758 8.741 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.844 7.234 9.338 1.00 0.00 C ATOM 1694 C TYR A 103 -6.452 8.245 10.312 1.00 0.00 C ATOM 1695 O TYR A 103 -7.672 8.312 10.463 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.570 5.912 10.059 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.247 4.718 9.421 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.243 4.543 8.041 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.891 3.764 10.200 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -6.861 3.454 7.458 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.510 2.672 9.623 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.493 2.521 8.253 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.109 1.434 7.678 1.00 0.00 O ATOM 0 H TYR A 103 -3.775 7.233 8.979 1.00 0.00 H new ATOM 0 HA TYR A 103 -6.558 7.055 8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.494 5.738 10.083 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.903 5.997 11.093 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.748 5.271 7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.908 3.878 11.274 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -6.849 3.334 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.005 1.939 10.243 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.505 0.874 8.378 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.597 9.036 10.965 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.058 10.048 11.914 1.00 0.00 C ATOM 1715 C ALA A 104 -6.801 11.173 11.195 1.00 0.00 C ATOM 1716 O ALA A 104 -7.814 11.669 11.686 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.888 10.613 12.709 1.00 0.00 C ATOM 0 H ALA A 104 -4.584 8.994 10.853 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.749 9.568 12.606 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.253 11.364 13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.401 9.809 13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.172 11.071 12.027 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.291 11.565 10.024 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.911 12.627 9.232 1.00 0.00 C ATOM 1725 C LYS A 105 -7.957 12.070 8.255 1.00 0.00 C ATOM 1726 O LYS A 105 -8.595 12.830 7.525 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.840 13.417 8.467 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.183 12.642 7.331 1.00 0.00 C ATOM 1729 CD LYS A 105 -5.583 13.197 5.971 1.00 0.00 C ATOM 1730 CE LYS A 105 -4.470 14.035 5.357 1.00 0.00 C ATOM 1731 NZ LYS A 105 -3.841 13.361 4.184 1.00 0.00 N ATOM 0 H LYS A 105 -5.452 11.163 9.606 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.424 13.296 9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.293 14.321 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.069 13.735 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.099 12.686 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.467 11.592 7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.832 12.374 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.481 13.805 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.872 15.000 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.709 14.234 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.832 13.610 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.939 12.330 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.313 13.672 3.311 1.00 0.00 H new ATOM 1745 N MET A 106 -8.131 10.743 8.246 1.00 0.00 N ATOM 1746 CA MET A 106 -9.098 10.095 7.360 1.00 0.00 C ATOM 1747 C MET A 106 -10.522 10.607 7.603 1.00 0.00 C ATOM 1748 O MET A 106 -11.216 10.978 6.654 1.00 0.00 O ATOM 1749 CB MET A 106 -9.054 8.572 7.541 1.00 0.00 C ATOM 1750 CG MET A 106 -8.743 7.816 6.260 1.00 0.00 C ATOM 1751 SD MET A 106 -9.078 6.051 6.397 1.00 0.00 S ATOM 1752 CE MET A 106 -10.625 5.933 5.502 1.00 0.00 C ATOM 0 H MET A 106 -7.613 10.099 8.844 1.00 0.00 H new ATOM 0 HA MET A 106 -8.820 10.345 6.336 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.302 8.325 8.290 1.00 0.00 H new ATOM 0 HB3 MET A 106 -10.014 8.233 7.929 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.335 8.232 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.695 7.964 6.001 1.00 0.00 H new ATOM 0 HE1 MET A 106 -10.892 4.884 5.374 1.00 0.00 H new ATOM 0 HE2 MET A 106 -11.409 6.442 6.062 1.00 0.00 H new ATOM 0 HE3 MET A 106 -10.516 6.401 4.524 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.981 10.631 8.876 1.00 0.00 N ATOM 1763 CA PRO A 107 -12.331 11.099 9.226 1.00 0.00 C ATOM 1764 C PRO A 107 -12.707 12.403 8.519 1.00 0.00 C ATOM 1765 O PRO A 107 -12.072 13.440 8.724 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.241 11.308 10.737 1.00 0.00 C ATOM 1767 CG PRO A 107 -11.222 10.322 11.193 1.00 0.00 C ATOM 1768 CD PRO A 107 -10.223 10.202 10.073 1.00 0.00 C ATOM 0 HA PRO A 107 -13.102 10.391 8.921 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.942 12.328 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.203 11.135 11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.739 10.657 12.111 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.682 9.358 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.353 10.836 10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.858 9.180 9.970 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.738 12.337 7.676 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.198 13.504 6.921 1.00 0.00 C ATOM 1778 C ASP A 108 -14.857 14.542 7.829 1.00 0.00 C ATOM 1779 O ASP A 108 -15.481 14.200 8.835 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.176 13.071 5.825 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.112 13.959 4.594 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.005 14.427 4.250 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.170 14.183 3.972 1.00 0.00 O ATOM 0 H ASP A 108 -14.272 11.486 7.498 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.323 13.968 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.959 12.042 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.190 13.083 6.224 1.00 0.00 H new