USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -110:sc= 0.285 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.81 K(o=-1.5,f=-3.4) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= -0.706 USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 29 ASN : amide:sc= -1.93! C(o=-2.5!,f=-8.8!) USER MOD Set 4.2: A 32 THR OG1 : rot -140:sc= -0.552 USER MOD Set 5.1: A 0 HIS : no HE2:sc= 0.0266 X(o=0.052,f=0) USER MOD Set 5.2: A -2 GLY N :NH3+ 165:sc= 0.0252 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -8.54! K(o=-8.5!,f=-3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.028) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 22 THR OG1 : rot 50:sc= 0.395 USER MOD Single : A 25 HIS : no HD1:sc= -3.97! C(o=-4!,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -60:sc= 1.05 USER MOD Single : A 35 MET CE :methyl 155:sc= -1.93 (180deg=-4!) USER MOD Single : A 37 THR OG1 : rot 110:sc= 0.147 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0414 (180deg=-0.224) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -0.0755 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0342 (180deg=-0.253) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 63 SER OG : rot 180:sc= 0.362 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 160:sc= -0.154 (180deg=-0.676) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0158 (180deg=-0.177) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -7.83! C(o=-7.8!,f=-13!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -100:sc= -2.43! USER MOD Single : A 103 ASN : amide:sc= -9.48! C(o=-9.5!,f=-5.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 111 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.77) USER MOD Single : A 113 LYS NZ :NH3+ -167:sc= -0.421 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -13.347 -27.038 16.914 1.00 0.00 N ATOM 2 CA GLY A -2 -13.774 -25.694 17.390 1.00 0.00 C ATOM 3 C GLY A -2 -13.661 -24.633 16.313 1.00 0.00 C ATOM 4 O GLY A -2 -14.114 -24.832 15.186 1.00 0.00 O ATOM 0 H1 GLY A -2 -13.199 -27.665 17.731 1.00 0.00 H new ATOM 0 H2 GLY A -2 -14.084 -27.439 16.299 1.00 0.00 H new ATOM 0 H3 GLY A -2 -12.459 -26.951 16.379 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -14.806 -25.746 17.737 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -13.164 -25.405 18.246 1.00 0.00 H new ATOM 10 N SER A -1 -13.054 -23.503 16.660 1.00 0.00 N ATOM 11 CA SER A -1 -12.882 -22.405 15.715 1.00 0.00 C ATOM 12 C SER A -1 -11.547 -22.521 14.986 1.00 0.00 C ATOM 13 O SER A -1 -10.483 -22.470 15.604 1.00 0.00 O ATOM 14 CB SER A -1 -12.964 -21.061 16.442 1.00 0.00 C ATOM 15 OG SER A -1 -12.804 -19.981 15.539 1.00 0.00 O ATOM 0 H SER A -1 -12.673 -23.323 17.589 1.00 0.00 H new ATOM 0 HA SER A -1 -13.684 -22.462 14.979 1.00 0.00 H new ATOM 0 HB2 SER A -1 -13.926 -20.976 16.948 1.00 0.00 H new ATOM 0 HB3 SER A -1 -12.193 -21.013 17.211 1.00 0.00 H new ATOM 0 HG SER A -1 -12.862 -19.134 16.028 1.00 0.00 H new ATOM 21 N HIS A 0 -11.612 -22.677 13.667 1.00 0.00 N ATOM 22 CA HIS A 0 -10.408 -22.800 12.851 1.00 0.00 C ATOM 23 C HIS A 0 -10.469 -21.867 11.646 1.00 0.00 C ATOM 24 O HIS A 0 -9.664 -21.979 10.722 1.00 0.00 O ATOM 25 CB HIS A 0 -10.231 -24.246 12.383 1.00 0.00 C ATOM 26 CG HIS A 0 -10.082 -25.226 13.504 1.00 0.00 C ATOM 27 ND1 HIS A 0 -8.859 -25.682 13.948 1.00 0.00 N ATOM 28 CD2 HIS A 0 -11.013 -25.841 14.274 1.00 0.00 C ATOM 29 CE1 HIS A 0 -9.043 -26.535 14.940 1.00 0.00 C ATOM 30 NE2 HIS A 0 -10.341 -26.648 15.158 1.00 0.00 N ATOM 0 H HIS A 0 -12.485 -22.721 13.141 1.00 0.00 H new ATOM 0 HA HIS A 0 -9.553 -22.516 13.464 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -11.090 -24.530 11.776 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -9.353 -24.306 11.740 1.00 0.00 H new ATOM 0 HD1 HIS A 0 -7.953 -25.404 13.570 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -12.084 -25.719 14.205 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -8.264 -27.052 15.481 1.00 0.00 H new ATOM 39 N MET A 1 -11.427 -20.947 11.665 1.00 0.00 N ATOM 40 CA MET A 1 -11.595 -19.994 10.574 1.00 0.00 C ATOM 41 C MET A 1 -10.379 -19.079 10.457 1.00 0.00 C ATOM 42 O MET A 1 -9.669 -18.847 11.436 1.00 0.00 O ATOM 43 CB MET A 1 -12.858 -19.158 10.787 1.00 0.00 C ATOM 44 CG MET A 1 -14.130 -19.987 10.860 1.00 0.00 C ATOM 45 SD MET A 1 -15.604 -18.978 11.101 1.00 0.00 S ATOM 46 CE MET A 1 -16.877 -20.238 11.130 1.00 0.00 C ATOM 0 H MET A 1 -12.100 -20.841 12.424 1.00 0.00 H new ATOM 0 HA MET A 1 -11.694 -20.558 9.646 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.754 -18.585 11.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.949 -18.438 9.973 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.236 -20.564 9.942 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.046 -20.702 11.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.850 -19.769 11.273 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.872 -20.783 10.186 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.685 -20.931 11.949 1.00 0.00 H new ATOM 56 N ILE A 2 -10.148 -18.564 9.254 1.00 0.00 N ATOM 57 CA ILE A 2 -9.019 -17.675 9.006 1.00 0.00 C ATOM 58 C ILE A 2 -9.470 -16.217 8.968 1.00 0.00 C ATOM 59 O ILE A 2 -8.659 -15.301 9.115 1.00 0.00 O ATOM 60 CB ILE A 2 -8.314 -18.027 7.678 1.00 0.00 C ATOM 61 CG1 ILE A 2 -7.057 -17.174 7.488 1.00 0.00 C ATOM 62 CG2 ILE A 2 -9.266 -17.842 6.505 1.00 0.00 C ATOM 63 CD1 ILE A 2 -5.990 -17.422 8.533 1.00 0.00 C ATOM 0 H ILE A 2 -10.728 -18.747 8.435 1.00 0.00 H new ATOM 0 HA ILE A 2 -8.315 -17.810 9.827 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.013 -19.074 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.640 -17.373 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.337 -16.121 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.753 -18.094 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.130 -18.495 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.598 -16.804 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.130 -16.783 8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.389 -17.195 9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.681 -18.467 8.497 1.00 0.00 H new ATOM 75 N ALA A 3 -10.770 -16.010 8.777 1.00 0.00 N ATOM 76 CA ALA A 3 -11.333 -14.666 8.718 1.00 0.00 C ATOM 77 C ALA A 3 -10.972 -13.860 9.965 1.00 0.00 C ATOM 78 O ALA A 3 -10.786 -14.425 11.043 1.00 0.00 O ATOM 79 CB ALA A 3 -12.843 -14.736 8.552 1.00 0.00 C ATOM 0 H ALA A 3 -11.454 -16.758 8.660 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.905 -14.157 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.252 -13.726 8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.084 -15.264 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.278 -15.268 9.398 1.00 0.00 H new ATOM 85 N PRO A 4 -10.867 -12.524 9.834 1.00 0.00 N ATOM 86 CA PRO A 4 -10.525 -11.645 10.959 1.00 0.00 C ATOM 87 C PRO A 4 -11.659 -11.532 11.972 1.00 0.00 C ATOM 88 O PRO A 4 -12.834 -11.612 11.616 1.00 0.00 O ATOM 89 CB PRO A 4 -10.271 -10.294 10.288 1.00 0.00 C ATOM 90 CG PRO A 4 -11.085 -10.332 9.042 1.00 0.00 C ATOM 91 CD PRO A 4 -11.074 -11.764 8.585 1.00 0.00 C ATOM 0 HA PRO A 4 -9.674 -12.021 11.527 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.572 -9.469 10.933 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.213 -10.155 10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.103 -9.990 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.664 -9.676 8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.011 -12.037 8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.276 -11.949 7.866 1.00 0.00 H new ATOM 99 N LEU A 5 -11.296 -11.346 13.238 1.00 0.00 N ATOM 100 CA LEU A 5 -12.280 -11.220 14.307 1.00 0.00 C ATOM 101 C LEU A 5 -11.888 -10.114 15.281 1.00 0.00 C ATOM 102 O LEU A 5 -12.591 -9.112 15.413 1.00 0.00 O ATOM 103 CB LEU A 5 -12.426 -12.547 15.054 1.00 0.00 C ATOM 104 CG LEU A 5 -12.915 -13.722 14.203 1.00 0.00 C ATOM 105 CD1 LEU A 5 -12.849 -15.018 14.996 1.00 0.00 C ATOM 106 CD2 LEU A 5 -14.330 -13.471 13.704 1.00 0.00 C ATOM 0 H LEU A 5 -10.327 -11.279 13.548 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.237 -10.958 13.856 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.461 -12.810 15.488 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.120 -12.405 15.882 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.259 -13.815 13.337 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.200 -15.842 14.376 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.819 -15.206 15.301 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.480 -14.936 15.881 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.659 -14.318 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.000 -13.350 14.555 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.347 -12.566 13.097 1.00 0.00 H new ATOM 118 N SER A 6 -10.761 -10.303 15.962 1.00 0.00 N ATOM 119 CA SER A 6 -10.275 -9.321 16.924 1.00 0.00 C ATOM 120 C SER A 6 -8.751 -9.338 16.999 1.00 0.00 C ATOM 121 O SER A 6 -8.088 -8.401 16.551 1.00 0.00 O ATOM 122 CB SER A 6 -10.868 -9.594 18.307 1.00 0.00 C ATOM 123 OG SER A 6 -12.282 -9.509 18.282 1.00 0.00 O ATOM 0 H SER A 6 -10.168 -11.127 15.865 1.00 0.00 H new ATOM 0 HA SER A 6 -10.593 -8.334 16.588 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.566 -10.585 18.646 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.470 -8.877 19.025 1.00 0.00 H new ATOM 0 HG SER A 6 -12.636 -9.689 19.178 1.00 0.00 H new ATOM 129 N VAL A 7 -8.202 -10.406 17.568 1.00 0.00 N ATOM 130 CA VAL A 7 -6.757 -10.543 17.702 1.00 0.00 C ATOM 131 C VAL A 7 -6.124 -11.043 16.407 1.00 0.00 C ATOM 132 O VAL A 7 -6.449 -12.126 15.923 1.00 0.00 O ATOM 133 CB VAL A 7 -6.382 -11.500 18.853 1.00 0.00 C ATOM 134 CG1 VAL A 7 -6.640 -10.843 20.200 1.00 0.00 C ATOM 135 CG2 VAL A 7 -7.144 -12.812 18.735 1.00 0.00 C ATOM 0 H VAL A 7 -8.736 -11.189 17.944 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.369 -9.550 17.929 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.317 -11.722 18.780 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.370 -11.533 20.999 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.039 -9.937 20.284 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.696 -10.587 20.284 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.864 -13.471 19.557 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.215 -12.616 18.777 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.900 -13.291 17.787 1.00 0.00 H new ATOM 145 N LYS A 8 -5.218 -10.243 15.854 1.00 0.00 N ATOM 146 CA LYS A 8 -4.535 -10.587 14.617 1.00 0.00 C ATOM 147 C LYS A 8 -3.176 -9.908 14.562 1.00 0.00 C ATOM 148 O LYS A 8 -3.062 -8.703 14.785 1.00 0.00 O ATOM 149 CB LYS A 8 -5.364 -10.165 13.406 1.00 0.00 C ATOM 150 CG LYS A 8 -6.611 -11.006 13.183 1.00 0.00 C ATOM 151 CD LYS A 8 -6.261 -12.447 12.848 1.00 0.00 C ATOM 152 CE LYS A 8 -7.508 -13.285 12.610 1.00 0.00 C ATOM 153 NZ LYS A 8 -7.174 -14.700 12.291 1.00 0.00 N ATOM 0 H LYS A 8 -4.940 -9.345 16.249 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.401 -11.669 14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.659 -9.123 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.739 -10.218 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.233 -10.981 14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.200 -10.576 12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.630 -12.472 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.681 -12.880 13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.142 -13.253 13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.084 -12.854 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.051 -15.237 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.591 -14.734 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.647 -15.119 13.083 1.00 0.00 H new ATOM 167 N ASP A 9 -2.153 -10.689 14.268 1.00 0.00 N ATOM 168 CA ASP A 9 -0.801 -10.173 14.181 1.00 0.00 C ATOM 169 C ASP A 9 -0.596 -9.429 12.868 1.00 0.00 C ATOM 170 O ASP A 9 -0.811 -9.983 11.789 1.00 0.00 O ATOM 171 CB ASP A 9 0.198 -11.320 14.295 1.00 0.00 C ATOM 172 CG ASP A 9 0.005 -12.134 15.559 1.00 0.00 C ATOM 173 OD1 ASP A 9 0.621 -11.787 16.588 1.00 0.00 O ATOM 174 OD2 ASP A 9 -0.763 -13.119 15.520 1.00 0.00 O ATOM 0 H ASP A 9 -2.235 -11.689 14.085 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.640 -9.474 15.002 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.098 -11.972 13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.211 -10.918 14.276 1.00 0.00 H new ATOM 179 N ASN A 10 -0.177 -8.172 12.964 1.00 0.00 N ATOM 180 CA ASN A 10 0.046 -7.354 11.783 1.00 0.00 C ATOM 181 C ASN A 10 1.481 -6.855 11.699 1.00 0.00 C ATOM 182 O ASN A 10 2.317 -7.451 11.020 1.00 0.00 O ATOM 183 CB ASN A 10 -0.913 -6.167 11.787 1.00 0.00 C ATOM 184 CG ASN A 10 -1.398 -5.796 13.175 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.345 -6.387 13.694 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.755 -4.802 13.779 1.00 0.00 N ATOM 0 H ASN A 10 0.014 -7.700 13.848 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.139 -7.979 10.909 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.417 -5.306 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.773 -6.401 11.159 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.041 -4.501 14.710 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.025 -4.340 13.311 1.00 0.00 H new ATOM 193 N ASP A 11 1.740 -5.750 12.388 1.00 0.00 N ATOM 194 CA ASP A 11 3.054 -5.124 12.414 1.00 0.00 C ATOM 195 C ASP A 11 4.172 -6.151 12.295 1.00 0.00 C ATOM 196 O ASP A 11 4.509 -6.837 13.257 1.00 0.00 O ATOM 197 CB ASP A 11 3.226 -4.321 13.702 1.00 0.00 C ATOM 198 CG ASP A 11 2.037 -3.428 13.997 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.815 -2.464 13.236 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.328 -3.694 14.990 1.00 0.00 O ATOM 0 H ASP A 11 1.040 -5.262 12.947 1.00 0.00 H new ATOM 0 HA ASP A 11 3.118 -4.458 11.554 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.376 -5.007 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.125 -3.709 13.627 1.00 0.00 H new ATOM 205 N LYS A 12 4.725 -6.257 11.095 1.00 0.00 N ATOM 206 CA LYS A 12 5.812 -7.182 10.829 1.00 0.00 C ATOM 207 C LYS A 12 7.157 -6.468 10.951 1.00 0.00 C ATOM 208 O LYS A 12 7.664 -5.899 9.985 1.00 0.00 O ATOM 209 CB LYS A 12 5.651 -7.791 9.433 1.00 0.00 C ATOM 210 CG LYS A 12 6.848 -8.607 8.980 1.00 0.00 C ATOM 211 CD LYS A 12 6.770 -10.052 9.456 1.00 0.00 C ATOM 212 CE LYS A 12 7.125 -10.186 10.928 1.00 0.00 C ATOM 213 NZ LYS A 12 7.117 -11.607 11.375 1.00 0.00 N ATOM 0 H LYS A 12 4.434 -5.708 10.286 1.00 0.00 H new ATOM 0 HA LYS A 12 5.782 -7.985 11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.765 -8.426 9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.476 -6.990 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.909 -8.587 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.762 -8.150 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.763 -10.435 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.447 -10.666 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.111 -9.756 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.416 -9.613 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.364 -11.655 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.170 -12.011 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.812 -12.149 10.822 1.00 0.00 H new ATOM 227 N TRP A 13 7.718 -6.496 12.154 1.00 0.00 N ATOM 228 CA TRP A 13 8.991 -5.856 12.434 1.00 0.00 C ATOM 229 C TRP A 13 10.148 -6.708 11.924 1.00 0.00 C ATOM 230 O TRP A 13 10.511 -7.707 12.547 1.00 0.00 O ATOM 231 CB TRP A 13 9.105 -5.622 13.942 1.00 0.00 C ATOM 232 CG TRP A 13 7.797 -5.228 14.571 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.779 -6.066 14.931 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.358 -3.903 14.903 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.730 -5.344 15.446 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.061 -4.016 15.444 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.930 -2.633 14.794 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.328 -2.907 15.870 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.205 -1.535 15.220 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.916 -1.678 15.750 1.00 0.00 C ATOM 0 H TRP A 13 7.302 -6.963 12.960 1.00 0.00 H new ATOM 0 HA TRP A 13 9.040 -4.898 11.916 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.473 -6.530 14.419 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.843 -4.842 14.129 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.797 -7.141 14.826 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.847 -5.734 15.776 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.922 -2.511 14.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.334 -3.015 16.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.640 -0.550 15.143 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.375 -0.800 16.070 1.00 0.00 H new ATOM 251 N VAL A 14 10.730 -6.310 10.788 1.00 0.00 N ATOM 252 CA VAL A 14 11.836 -7.070 10.201 1.00 0.00 C ATOM 253 C VAL A 14 12.792 -6.173 9.429 1.00 0.00 C ATOM 254 O VAL A 14 12.675 -4.952 9.465 1.00 0.00 O ATOM 255 CB VAL A 14 11.324 -8.172 9.252 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.579 -9.252 10.022 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.442 -7.576 8.165 1.00 0.00 C ATOM 0 H VAL A 14 10.458 -5.478 10.264 1.00 0.00 H new ATOM 0 HA VAL A 14 12.367 -7.526 11.037 1.00 0.00 H new ATOM 0 HB VAL A 14 12.187 -8.636 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.229 -10.017 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.248 -9.705 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.726 -8.809 10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.091 -8.370 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.586 -7.079 8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.016 -6.852 7.587 1.00 0.00 H new ATOM 267 N ASP A 15 13.741 -6.803 8.737 1.00 0.00 N ATOM 268 CA ASP A 15 14.733 -6.087 7.940 1.00 0.00 C ATOM 269 C ASP A 15 14.523 -6.367 6.454 1.00 0.00 C ATOM 270 O ASP A 15 13.590 -7.080 6.081 1.00 0.00 O ATOM 271 CB ASP A 15 16.138 -6.511 8.364 1.00 0.00 C ATOM 272 CG ASP A 15 16.497 -7.902 7.875 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.215 -8.877 8.602 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.058 -8.014 6.765 1.00 0.00 O ATOM 0 H ASP A 15 13.843 -7.818 8.714 1.00 0.00 H new ATOM 0 HA ASP A 15 14.617 -5.016 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.863 -5.795 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.210 -6.481 9.451 1.00 0.00 H new ATOM 279 N THR A 16 15.389 -5.813 5.602 1.00 0.00 N ATOM 280 CA THR A 16 15.261 -6.021 4.160 1.00 0.00 C ATOM 281 C THR A 16 16.416 -5.394 3.380 1.00 0.00 C ATOM 282 O THR A 16 17.379 -4.893 3.962 1.00 0.00 O ATOM 283 CB THR A 16 13.932 -5.438 3.643 1.00 0.00 C ATOM 284 OG1 THR A 16 13.537 -6.104 2.437 1.00 0.00 O ATOM 285 CG2 THR A 16 14.047 -3.945 3.382 1.00 0.00 C ATOM 0 H THR A 16 16.175 -5.226 5.881 1.00 0.00 H new ATOM 0 HA THR A 16 15.283 -7.099 3.998 1.00 0.00 H new ATOM 0 HB THR A 16 13.178 -5.596 4.414 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.691 -5.727 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.092 -3.565 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.313 -3.433 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.818 -3.765 2.633 1.00 0.00 H new ATOM 293 N HIS A 17 16.303 -5.432 2.051 1.00 0.00 N ATOM 294 CA HIS A 17 17.316 -4.865 1.167 1.00 0.00 C ATOM 295 C HIS A 17 16.748 -3.665 0.412 1.00 0.00 C ATOM 296 O HIS A 17 15.675 -3.173 0.744 1.00 0.00 O ATOM 297 CB HIS A 17 17.816 -5.925 0.184 1.00 0.00 C ATOM 298 CG HIS A 17 18.944 -6.753 0.718 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.771 -8.024 1.224 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.268 -6.486 0.819 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.939 -8.504 1.614 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.863 -7.591 1.378 1.00 0.00 N ATOM 0 H HIS A 17 15.513 -5.854 1.563 1.00 0.00 H new ATOM 0 HA HIS A 17 18.158 -4.528 1.772 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.988 -6.582 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.140 -5.434 -0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.763 -5.575 0.517 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.109 -9.477 2.051 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.858 -7.690 1.578 1.00 0.00 H new ATOM 311 N VAL A 18 17.464 -3.200 -0.607 1.00 0.00 N ATOM 312 CA VAL A 18 17.016 -2.044 -1.382 1.00 0.00 C ATOM 313 C VAL A 18 16.136 -2.445 -2.565 1.00 0.00 C ATOM 314 O VAL A 18 16.414 -3.420 -3.266 1.00 0.00 O ATOM 315 CB VAL A 18 18.210 -1.216 -1.897 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.106 -2.063 -2.789 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.726 0.023 -2.636 1.00 0.00 C ATOM 0 H VAL A 18 18.350 -3.601 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 18 16.421 -1.436 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 18 18.797 -0.891 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.943 -1.460 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.485 -2.913 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.533 -2.424 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.584 0.593 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.113 -0.277 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.134 0.641 -1.961 1.00 0.00 H new ATOM 327 N GLY A 19 15.071 -1.675 -2.769 1.00 0.00 N ATOM 328 CA GLY A 19 14.147 -1.920 -3.865 1.00 0.00 C ATOM 329 C GLY A 19 13.555 -3.313 -3.863 1.00 0.00 C ATOM 330 O GLY A 19 13.042 -3.768 -4.884 1.00 0.00 O ATOM 0 H GLY A 19 14.828 -0.874 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.338 -1.191 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.666 -1.757 -4.809 1.00 0.00 H new ATOM 334 N LYS A 20 13.631 -3.998 -2.727 1.00 0.00 N ATOM 335 CA LYS A 20 13.076 -5.338 -2.621 1.00 0.00 C ATOM 336 C LYS A 20 11.559 -5.279 -2.740 1.00 0.00 C ATOM 337 O LYS A 20 10.844 -5.276 -1.737 1.00 0.00 O ATOM 338 CB LYS A 20 13.479 -5.981 -1.294 1.00 0.00 C ATOM 339 CG LYS A 20 13.899 -7.428 -1.428 1.00 0.00 C ATOM 340 CD LYS A 20 15.332 -7.516 -1.899 1.00 0.00 C ATOM 341 CE LYS A 20 15.936 -8.882 -1.617 1.00 0.00 C ATOM 342 NZ LYS A 20 15.195 -9.972 -2.308 1.00 0.00 N ATOM 0 H LYS A 20 14.068 -3.649 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 20 13.473 -5.948 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.300 -5.412 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.642 -5.917 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.792 -7.935 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.245 -7.940 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.376 -7.313 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.925 -6.747 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.978 -8.891 -1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.932 -9.065 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.697 -10.873 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.237 -10.047 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.133 -9.759 -3.324 1.00 0.00 H new ATOM 356 N THR A 21 11.078 -5.212 -3.979 1.00 0.00 N ATOM 357 CA THR A 21 9.648 -5.135 -4.250 1.00 0.00 C ATOM 358 C THR A 21 8.876 -6.185 -3.464 1.00 0.00 C ATOM 359 O THR A 21 8.794 -7.345 -3.866 1.00 0.00 O ATOM 360 CB THR A 21 9.345 -5.312 -5.750 1.00 0.00 C ATOM 361 OG1 THR A 21 10.231 -4.502 -6.529 1.00 0.00 O ATOM 362 CG2 THR A 21 7.904 -4.931 -6.056 1.00 0.00 C ATOM 0 H THR A 21 11.663 -5.210 -4.815 1.00 0.00 H new ATOM 0 HA THR A 21 9.327 -4.142 -3.936 1.00 0.00 H new ATOM 0 HB THR A 21 9.493 -6.361 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.032 -4.622 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.711 -5.063 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.230 -5.568 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.738 -3.889 -5.784 1.00 0.00 H new ATOM 370 N THR A 22 8.316 -5.768 -2.335 1.00 0.00 N ATOM 371 CA THR A 22 7.545 -6.666 -1.489 1.00 0.00 C ATOM 372 C THR A 22 6.066 -6.598 -1.839 1.00 0.00 C ATOM 373 O THR A 22 5.367 -5.657 -1.460 1.00 0.00 O ATOM 374 CB THR A 22 7.742 -6.337 0.005 1.00 0.00 C ATOM 375 OG1 THR A 22 9.106 -6.564 0.380 1.00 0.00 O ATOM 376 CG2 THR A 22 6.826 -7.180 0.884 1.00 0.00 C ATOM 0 H THR A 22 8.382 -4.812 -1.985 1.00 0.00 H new ATOM 0 HA THR A 22 7.908 -7.677 -1.670 1.00 0.00 H new ATOM 0 HB THR A 22 7.489 -5.287 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.700 -6.120 -0.261 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.990 -6.924 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.787 -6.983 0.620 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.046 -8.237 0.730 1.00 0.00 H new ATOM 384 N GLU A 23 5.609 -7.597 -2.586 1.00 0.00 N ATOM 385 CA GLU A 23 4.224 -7.683 -2.999 1.00 0.00 C ATOM 386 C GLU A 23 3.346 -8.127 -1.844 1.00 0.00 C ATOM 387 O GLU A 23 3.521 -9.217 -1.298 1.00 0.00 O ATOM 388 CB GLU A 23 4.095 -8.664 -4.159 1.00 0.00 C ATOM 389 CG GLU A 23 2.735 -8.629 -4.828 1.00 0.00 C ATOM 390 CD GLU A 23 2.669 -9.501 -6.066 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.977 -8.995 -7.165 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.309 -10.690 -5.936 1.00 0.00 O ATOM 0 H GLU A 23 6.191 -8.366 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 23 3.894 -6.695 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.862 -8.442 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.287 -9.673 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.976 -8.957 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.495 -7.601 -5.099 1.00 0.00 H new ATOM 399 N ILE A 24 2.403 -7.277 -1.477 1.00 0.00 N ATOM 400 CA ILE A 24 1.500 -7.576 -0.384 1.00 0.00 C ATOM 401 C ILE A 24 0.056 -7.634 -0.856 1.00 0.00 C ATOM 402 O ILE A 24 -0.621 -6.611 -0.937 1.00 0.00 O ATOM 403 CB ILE A 24 1.611 -6.526 0.724 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.063 -6.394 1.183 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.700 -6.885 1.890 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.280 -5.296 2.198 1.00 0.00 C ATOM 0 H ILE A 24 2.244 -6.373 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 24 1.790 -8.552 0.005 1.00 0.00 H new ATOM 0 HB ILE A 24 1.289 -5.562 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.387 -7.342 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.694 -6.204 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.791 -6.128 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.333 -6.928 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.989 -7.856 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.333 -5.262 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.987 -4.339 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.676 -5.495 3.084 1.00 0.00 H new ATOM 418 N HIS A 25 -0.397 -8.835 -1.178 1.00 0.00 N ATOM 419 CA HIS A 25 -1.765 -9.045 -1.617 1.00 0.00 C ATOM 420 C HIS A 25 -2.662 -9.249 -0.407 1.00 0.00 C ATOM 421 O HIS A 25 -2.657 -10.315 0.209 1.00 0.00 O ATOM 422 CB HIS A 25 -1.848 -10.258 -2.542 1.00 0.00 C ATOM 423 CG HIS A 25 -1.460 -9.969 -3.958 1.00 0.00 C ATOM 424 ND1 HIS A 25 -1.986 -10.648 -5.036 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.589 -9.068 -4.473 1.00 0.00 C ATOM 426 CE1 HIS A 25 -1.454 -10.181 -6.152 1.00 0.00 C ATOM 427 NE2 HIS A 25 -0.605 -9.222 -5.838 1.00 0.00 N ATOM 0 H HIS A 25 0.168 -9.684 -1.143 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.099 -8.167 -2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.202 -11.045 -2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.867 -10.645 -2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.007 -8.361 -3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.677 -10.526 -7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.050 -8.682 -6.502 1.00 0.00 H new ATOM 436 N LEU A 26 -3.428 -8.223 -0.066 1.00 0.00 N ATOM 437 CA LEU A 26 -4.309 -8.291 1.092 1.00 0.00 C ATOM 438 C LEU A 26 -5.721 -8.691 0.687 1.00 0.00 C ATOM 439 O LEU A 26 -6.095 -8.582 -0.478 1.00 0.00 O ATOM 440 CB LEU A 26 -4.337 -6.941 1.802 1.00 0.00 C ATOM 441 CG LEU A 26 -2.972 -6.426 2.267 1.00 0.00 C ATOM 442 CD1 LEU A 26 -3.073 -4.978 2.719 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.424 -7.295 3.390 1.00 0.00 C ATOM 0 H LEU A 26 -3.458 -7.337 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.921 -9.052 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.777 -6.204 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.994 -7.017 2.668 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.283 -6.478 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.093 -4.630 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.419 -4.361 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.779 -4.903 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.454 -6.912 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.114 -7.277 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.312 -8.320 3.036 1.00 0.00 H new ATOM 455 N LYS A 27 -6.499 -9.161 1.654 1.00 0.00 N ATOM 456 CA LYS A 27 -7.874 -9.563 1.392 1.00 0.00 C ATOM 457 C LYS A 27 -8.831 -8.455 1.803 1.00 0.00 C ATOM 458 O LYS A 27 -8.462 -7.550 2.554 1.00 0.00 O ATOM 459 CB LYS A 27 -8.216 -10.850 2.142 1.00 0.00 C ATOM 460 CG LYS A 27 -7.150 -11.928 2.024 1.00 0.00 C ATOM 461 CD LYS A 27 -7.038 -12.450 0.601 1.00 0.00 C ATOM 462 CE LYS A 27 -5.975 -13.531 0.486 1.00 0.00 C ATOM 463 NZ LYS A 27 -5.862 -14.055 -0.903 1.00 0.00 N ATOM 0 H LYS A 27 -6.202 -9.273 2.623 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.977 -9.748 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.369 -10.616 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.160 -11.242 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.188 -11.526 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.389 -12.752 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.001 -12.850 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.796 -11.627 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.012 -13.128 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.215 -14.350 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.127 -14.790 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.773 -14.463 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.607 -13.279 -1.547 1.00 0.00 H new ATOM 477 N GLY A 28 -10.063 -8.534 1.319 1.00 0.00 N ATOM 478 CA GLY A 28 -11.049 -7.521 1.644 1.00 0.00 C ATOM 479 C GLY A 28 -11.965 -7.201 0.478 1.00 0.00 C ATOM 480 O GLY A 28 -12.082 -7.986 -0.463 1.00 0.00 O ATOM 0 H GLY A 28 -10.397 -9.279 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.648 -7.861 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.539 -6.611 1.960 1.00 0.00 H new ATOM 484 N ASN A 29 -12.614 -6.042 0.543 1.00 0.00 N ATOM 485 CA ASN A 29 -13.525 -5.609 -0.511 1.00 0.00 C ATOM 486 C ASN A 29 -13.912 -4.141 -0.312 1.00 0.00 C ATOM 487 O ASN A 29 -14.371 -3.759 0.766 1.00 0.00 O ATOM 488 CB ASN A 29 -14.777 -6.490 -0.522 1.00 0.00 C ATOM 489 CG ASN A 29 -15.599 -6.321 -1.786 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.063 -6.027 -2.853 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.908 -6.515 -1.673 1.00 0.00 N ATOM 0 H ASN A 29 -12.525 -5.384 1.317 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.018 -5.707 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.482 -7.535 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.394 -6.248 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.510 -6.421 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.311 -6.758 -0.768 1.00 0.00 H new ATOM 498 N PRO A 30 -13.730 -3.295 -1.347 1.00 0.00 N ATOM 499 CA PRO A 30 -14.055 -1.863 -1.269 1.00 0.00 C ATOM 500 C PRO A 30 -15.465 -1.597 -0.749 1.00 0.00 C ATOM 501 O PRO A 30 -15.644 -0.918 0.262 1.00 0.00 O ATOM 502 CB PRO A 30 -13.928 -1.392 -2.717 1.00 0.00 C ATOM 503 CG PRO A 30 -12.958 -2.335 -3.337 1.00 0.00 C ATOM 504 CD PRO A 30 -13.196 -3.663 -2.674 1.00 0.00 C ATOM 0 HA PRO A 30 -13.399 -1.343 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.890 -1.420 -3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.569 -0.364 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.112 -2.403 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.933 -1.999 -3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.904 -4.271 -3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.275 -4.241 -2.590 1.00 0.00 H new ATOM 512 N THR A 31 -16.461 -2.133 -1.445 1.00 0.00 N ATOM 513 CA THR A 31 -17.855 -1.942 -1.059 1.00 0.00 C ATOM 514 C THR A 31 -18.273 -2.918 0.039 1.00 0.00 C ATOM 515 O THR A 31 -19.294 -3.598 -0.073 1.00 0.00 O ATOM 516 CB THR A 31 -18.794 -2.099 -2.271 1.00 0.00 C ATOM 517 OG1 THR A 31 -20.160 -1.982 -1.857 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.574 -3.441 -2.947 1.00 0.00 C ATOM 0 H THR A 31 -16.330 -2.704 -2.280 1.00 0.00 H new ATOM 0 HA THR A 31 -17.939 -0.926 -0.672 1.00 0.00 H new ATOM 0 HB THR A 31 -18.568 -1.307 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 -20.364 -2.681 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.246 -3.533 -3.800 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.541 -3.511 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 31 -18.776 -4.243 -2.237 1.00 0.00 H new ATOM 526 N THR A 32 -17.481 -2.979 1.106 1.00 0.00 N ATOM 527 CA THR A 32 -17.775 -3.870 2.221 1.00 0.00 C ATOM 528 C THR A 32 -17.438 -3.220 3.560 1.00 0.00 C ATOM 529 O THR A 32 -18.331 -2.906 4.348 1.00 0.00 O ATOM 530 CB THR A 32 -17.009 -5.199 2.097 1.00 0.00 C ATOM 531 OG1 THR A 32 -17.479 -5.927 0.958 1.00 0.00 O ATOM 532 CG2 THR A 32 -17.178 -6.046 3.349 1.00 0.00 C ATOM 0 H THR A 32 -16.633 -2.423 1.221 1.00 0.00 H new ATOM 0 HA THR A 32 -18.845 -4.072 2.184 1.00 0.00 H new ATOM 0 HB THR A 32 -15.950 -4.971 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.534 -6.880 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.626 -6.979 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.794 -5.501 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.235 -6.265 3.500 1.00 0.00 H new ATOM 540 N GLY A 33 -16.147 -3.019 3.813 1.00 0.00 N ATOM 541 CA GLY A 33 -15.729 -2.419 5.067 1.00 0.00 C ATOM 542 C GLY A 33 -14.768 -1.260 4.885 1.00 0.00 C ATOM 543 O GLY A 33 -15.111 -0.246 4.277 1.00 0.00 O ATOM 0 H GLY A 33 -15.388 -3.259 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.610 -2.071 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.256 -3.181 5.687 1.00 0.00 H new ATOM 547 N TYR A 34 -13.560 -1.414 5.417 1.00 0.00 N ATOM 548 CA TYR A 34 -12.541 -0.374 5.334 1.00 0.00 C ATOM 549 C TYR A 34 -11.626 -0.592 4.129 1.00 0.00 C ATOM 550 O TYR A 34 -11.873 -1.464 3.297 1.00 0.00 O ATOM 551 CB TYR A 34 -11.702 -0.348 6.619 1.00 0.00 C ATOM 552 CG TYR A 34 -12.509 -0.204 7.897 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.436 -1.170 8.272 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.337 0.896 8.733 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.169 -1.044 9.437 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.066 1.026 9.900 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.980 0.054 10.247 1.00 0.00 C ATOM 558 OH TYR A 34 -14.708 0.182 11.408 1.00 0.00 O ATOM 0 H TYR A 34 -13.262 -2.254 5.913 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.050 0.582 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.118 -1.267 6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.993 0.477 6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.586 -2.034 7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.622 1.660 8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.887 -1.803 9.711 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.920 1.886 10.537 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.454 1.012 11.864 1.00 0.00 H new ATOM 568 N MET A 35 -10.571 0.214 4.048 1.00 0.00 N ATOM 569 CA MET A 35 -9.605 0.128 2.972 1.00 0.00 C ATOM 570 C MET A 35 -8.257 -0.319 3.505 1.00 0.00 C ATOM 571 O MET A 35 -7.921 -0.063 4.658 1.00 0.00 O ATOM 572 CB MET A 35 -9.437 1.493 2.304 1.00 0.00 C ATOM 573 CG MET A 35 -8.092 1.661 1.621 1.00 0.00 C ATOM 574 SD MET A 35 -7.833 3.322 0.968 1.00 0.00 S ATOM 575 CE MET A 35 -8.934 3.312 -0.445 1.00 0.00 C ATOM 0 H MET A 35 -10.367 0.944 4.731 1.00 0.00 H new ATOM 0 HA MET A 35 -9.971 -0.598 2.246 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.230 1.631 1.569 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.557 2.275 3.054 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.299 1.429 2.332 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.012 0.940 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.232 4.334 -0.682 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.422 2.875 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.820 2.721 -0.212 1.00 0.00 H new ATOM 585 N TRP A 36 -7.485 -0.966 2.654 1.00 0.00 N ATOM 586 CA TRP A 36 -6.161 -1.418 3.030 1.00 0.00 C ATOM 587 C TRP A 36 -5.102 -0.592 2.313 1.00 0.00 C ATOM 588 O TRP A 36 -4.637 -0.960 1.234 1.00 0.00 O ATOM 589 CB TRP A 36 -5.988 -2.892 2.700 1.00 0.00 C ATOM 590 CG TRP A 36 -6.212 -3.794 3.871 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.132 -4.798 3.971 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.508 -3.768 5.114 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.044 -5.397 5.204 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.053 -4.782 5.924 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.469 -2.985 5.620 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.591 -5.031 7.214 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.012 -3.232 6.898 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.573 -4.248 7.683 1.00 0.00 C ATOM 0 H TRP A 36 -7.753 -1.191 1.696 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.042 -1.288 4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.683 -3.162 1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.982 -3.054 2.313 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.827 -5.080 3.194 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.621 -6.172 5.530 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.031 -2.200 5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.021 -5.814 7.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.209 -2.632 7.300 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.193 -4.416 8.680 1.00 0.00 H new ATOM 609 N THR A 37 -4.732 0.531 2.916 1.00 0.00 N ATOM 610 CA THR A 37 -3.737 1.421 2.328 1.00 0.00 C ATOM 611 C THR A 37 -2.727 1.867 3.387 1.00 0.00 C ATOM 612 O THR A 37 -2.663 1.278 4.464 1.00 0.00 O ATOM 613 CB THR A 37 -4.408 2.652 1.694 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.459 3.385 0.912 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.992 3.552 2.767 1.00 0.00 C ATOM 0 H THR A 37 -5.105 0.847 3.811 1.00 0.00 H new ATOM 0 HA THR A 37 -3.213 0.870 1.547 1.00 0.00 H new ATOM 0 HB THR A 37 -5.215 2.307 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.674 3.288 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.462 4.417 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.737 2.999 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.197 3.887 3.433 1.00 0.00 H new ATOM 623 N ARG A 38 -1.944 2.908 3.093 1.00 0.00 N ATOM 624 CA ARG A 38 -0.951 3.394 4.047 1.00 0.00 C ATOM 625 C ARG A 38 -1.543 4.468 4.957 1.00 0.00 C ATOM 626 O ARG A 38 -2.524 5.123 4.604 1.00 0.00 O ATOM 627 CB ARG A 38 0.285 3.928 3.317 1.00 0.00 C ATOM 628 CG ARG A 38 1.389 2.911 3.163 1.00 0.00 C ATOM 629 CD ARG A 38 2.440 3.375 2.171 1.00 0.00 C ATOM 630 NE ARG A 38 2.822 4.773 2.338 1.00 0.00 N ATOM 631 CZ ARG A 38 4.051 5.156 2.682 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.974 4.249 2.973 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.359 6.444 2.736 1.00 0.00 N ATOM 0 H ARG A 38 -1.979 3.423 2.213 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.646 2.554 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.012 4.280 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.672 4.790 3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.856 2.730 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.967 1.962 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.327 2.750 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.063 3.228 1.159 1.00 0.00 H new ATOM 0 HE ARG A 38 2.115 5.492 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.744 3.256 2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.914 4.544 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.654 7.147 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.301 6.732 3.000 1.00 0.00 H new ATOM 647 N VAL A 39 -0.937 4.642 6.131 1.00 0.00 N ATOM 648 CA VAL A 39 -1.408 5.624 7.103 1.00 0.00 C ATOM 649 C VAL A 39 -1.019 7.042 6.699 1.00 0.00 C ATOM 650 O VAL A 39 0.135 7.307 6.362 1.00 0.00 O ATOM 651 CB VAL A 39 -0.843 5.335 8.509 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.440 6.290 9.532 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.097 3.889 8.908 1.00 0.00 C ATOM 0 H VAL A 39 -0.118 4.114 6.431 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.495 5.544 7.125 1.00 0.00 H new ATOM 0 HB VAL A 39 0.235 5.493 8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.029 6.071 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.196 7.316 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.523 6.168 9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.690 3.709 9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.170 3.697 8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.614 3.224 8.192 1.00 0.00 H new ATOM 663 N GLY A 40 -1.987 7.954 6.749 1.00 0.00 N ATOM 664 CA GLY A 40 -1.727 9.336 6.387 1.00 0.00 C ATOM 665 C GLY A 40 -1.787 9.562 4.890 1.00 0.00 C ATOM 666 O GLY A 40 -1.482 10.652 4.405 1.00 0.00 O ATOM 0 H GLY A 40 -2.947 7.760 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.456 9.981 6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.744 9.627 6.756 1.00 0.00 H new ATOM 670 N PHE A 41 -2.180 8.526 4.157 1.00 0.00 N ATOM 671 CA PHE A 41 -2.281 8.604 2.706 1.00 0.00 C ATOM 672 C PHE A 41 -3.614 8.047 2.237 1.00 0.00 C ATOM 673 O PHE A 41 -3.905 8.017 1.041 1.00 0.00 O ATOM 674 CB PHE A 41 -1.134 7.830 2.066 1.00 0.00 C ATOM 675 CG PHE A 41 0.204 8.243 2.594 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.790 9.430 2.189 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.866 7.451 3.513 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.018 9.819 2.689 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.093 7.834 4.020 1.00 0.00 C ATOM 680 CZ PHE A 41 2.670 9.019 3.607 1.00 0.00 C ATOM 0 H PHE A 41 -2.435 7.619 4.547 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.218 9.650 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.277 6.764 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.157 7.980 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.281 10.059 1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.420 6.523 3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.467 10.746 2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.600 7.207 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.629 9.320 4.001 1.00 0.00 H new ATOM 690 N VAL A 42 -4.412 7.599 3.195 1.00 0.00 N ATOM 691 CA VAL A 42 -5.723 7.042 2.903 1.00 0.00 C ATOM 692 C VAL A 42 -6.571 8.030 2.111 1.00 0.00 C ATOM 693 O VAL A 42 -6.861 9.131 2.579 1.00 0.00 O ATOM 694 CB VAL A 42 -6.461 6.662 4.198 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.696 5.833 3.878 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.525 5.922 5.141 1.00 0.00 C ATOM 0 H VAL A 42 -4.172 7.611 4.186 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.569 6.144 2.304 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.790 7.572 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.208 5.571 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.367 6.411 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.398 4.922 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.061 5.659 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.165 5.014 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.678 6.562 5.389 1.00 0.00 H new ATOM 706 N GLY A 43 -6.967 7.628 0.907 1.00 0.00 N ATOM 707 CA GLY A 43 -7.770 8.491 0.063 1.00 0.00 C ATOM 708 C GLY A 43 -6.927 9.239 -0.949 1.00 0.00 C ATOM 709 O GLY A 43 -7.407 9.607 -2.022 1.00 0.00 O ATOM 0 H GLY A 43 -6.745 6.719 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.518 7.894 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.310 9.206 0.684 1.00 0.00 H new ATOM 713 N LYS A 44 -5.662 9.463 -0.603 1.00 0.00 N ATOM 714 CA LYS A 44 -4.737 10.165 -1.479 1.00 0.00 C ATOM 715 C LYS A 44 -4.396 9.318 -2.699 1.00 0.00 C ATOM 716 O LYS A 44 -4.765 8.146 -2.778 1.00 0.00 O ATOM 717 CB LYS A 44 -3.460 10.509 -0.713 1.00 0.00 C ATOM 718 CG LYS A 44 -3.688 11.433 0.472 1.00 0.00 C ATOM 719 CD LYS A 44 -2.373 11.919 1.057 1.00 0.00 C ATOM 720 CE LYS A 44 -2.600 12.833 2.250 1.00 0.00 C ATOM 721 NZ LYS A 44 -3.389 14.041 1.883 1.00 0.00 N ATOM 0 H LYS A 44 -5.255 9.165 0.284 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.215 11.083 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.999 9.587 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.752 10.977 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.287 12.288 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.258 10.909 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.771 11.063 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.807 12.451 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.121 12.284 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.638 13.139 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.322 14.744 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.012 14.448 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.385 13.776 1.743 1.00 0.00 H new ATOM 735 N ASP A 45 -3.687 9.920 -3.649 1.00 0.00 N ATOM 736 CA ASP A 45 -3.291 9.227 -4.862 1.00 0.00 C ATOM 737 C ASP A 45 -2.154 8.252 -4.581 1.00 0.00 C ATOM 738 O ASP A 45 -2.300 7.042 -4.751 1.00 0.00 O ATOM 739 CB ASP A 45 -2.860 10.244 -5.916 1.00 0.00 C ATOM 740 CG ASP A 45 -4.027 11.047 -6.458 1.00 0.00 C ATOM 741 OD1 ASP A 45 -4.335 12.110 -5.878 1.00 0.00 O ATOM 742 OD2 ASP A 45 -4.632 10.614 -7.461 1.00 0.00 O ATOM 0 H ASP A 45 -3.376 10.890 -3.598 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.144 8.659 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.126 10.923 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.367 9.724 -6.738 1.00 0.00 H new ATOM 747 N VAL A 46 -1.021 8.793 -4.149 1.00 0.00 N ATOM 748 CA VAL A 46 0.148 7.985 -3.839 1.00 0.00 C ATOM 749 C VAL A 46 0.424 7.970 -2.341 1.00 0.00 C ATOM 750 O VAL A 46 0.263 8.981 -1.656 1.00 0.00 O ATOM 751 CB VAL A 46 1.394 8.505 -4.580 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.823 9.857 -4.031 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.530 7.498 -4.494 1.00 0.00 C ATOM 0 H VAL A 46 -0.889 9.794 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.066 6.969 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 46 1.136 8.635 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.705 10.205 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.013 10.575 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.059 9.761 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.400 7.885 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.788 7.328 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.218 6.557 -4.948 1.00 0.00 H new ATOM 763 N LEU A 47 0.832 6.813 -1.840 1.00 0.00 N ATOM 764 CA LEU A 47 1.138 6.657 -0.427 1.00 0.00 C ATOM 765 C LEU A 47 2.617 6.923 -0.184 1.00 0.00 C ATOM 766 O LEU A 47 2.990 7.716 0.679 1.00 0.00 O ATOM 767 CB LEU A 47 0.778 5.250 0.040 1.00 0.00 C ATOM 768 CG LEU A 47 -0.455 4.633 -0.626 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.640 3.193 -0.167 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.700 5.455 -0.327 1.00 0.00 C ATOM 0 H LEU A 47 0.959 5.966 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 47 0.548 7.376 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.632 4.596 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.615 5.274 1.117 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.299 4.636 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.520 2.768 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.240 2.609 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.772 3.170 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.563 4.997 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.863 5.489 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.567 6.468 -0.706 1.00 0.00 H new ATOM 782 N SER A 48 3.449 6.236 -0.958 1.00 0.00 N ATOM 783 CA SER A 48 4.897 6.374 -0.882 1.00 0.00 C ATOM 784 C SER A 48 5.336 7.836 -0.962 1.00 0.00 C ATOM 785 O SER A 48 4.513 8.738 -1.111 1.00 0.00 O ATOM 786 CB SER A 48 5.533 5.593 -2.024 1.00 0.00 C ATOM 787 OG SER A 48 5.333 6.247 -3.265 1.00 0.00 O ATOM 0 H SER A 48 3.136 5.565 -1.659 1.00 0.00 H new ATOM 0 HA SER A 48 5.223 5.981 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.601 5.477 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.106 4.591 -2.065 1.00 0.00 H new ATOM 0 HG SER A 48 5.753 5.726 -3.981 1.00 0.00 H new ATOM 793 N ASP A 49 6.648 8.058 -0.880 1.00 0.00 N ATOM 794 CA ASP A 49 7.204 9.406 -0.943 1.00 0.00 C ATOM 795 C ASP A 49 8.652 9.383 -1.418 1.00 0.00 C ATOM 796 O ASP A 49 8.929 9.518 -2.610 1.00 0.00 O ATOM 797 CB ASP A 49 7.126 10.087 0.426 1.00 0.00 C ATOM 798 CG ASP A 49 5.714 10.500 0.792 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.312 11.625 0.427 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.010 9.700 1.443 1.00 0.00 O ATOM 0 H ASP A 49 7.344 7.321 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 49 6.610 9.972 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.511 9.409 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.770 10.967 0.427 1.00 0.00 H new ATOM 805 N GLU A 50 9.574 9.213 -0.475 1.00 0.00 N ATOM 806 CA GLU A 50 10.994 9.186 -0.784 1.00 0.00 C ATOM 807 C GLU A 50 11.680 7.994 -0.123 1.00 0.00 C ATOM 808 O GLU A 50 12.656 7.456 -0.647 1.00 0.00 O ATOM 809 CB GLU A 50 11.636 10.484 -0.304 1.00 0.00 C ATOM 810 CG GLU A 50 11.592 10.659 1.206 1.00 0.00 C ATOM 811 CD GLU A 50 12.267 11.937 1.665 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.579 12.976 1.747 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.485 11.899 1.942 1.00 0.00 O ATOM 0 H GLU A 50 9.358 9.091 0.514 1.00 0.00 H new ATOM 0 HA GLU A 50 11.114 9.087 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.674 10.511 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.129 11.327 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.554 10.662 1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.076 9.806 1.681 1.00 0.00 H new ATOM 820 N ILE A 51 11.162 7.591 1.030 1.00 0.00 N ATOM 821 CA ILE A 51 11.720 6.471 1.776 1.00 0.00 C ATOM 822 C ILE A 51 11.406 5.142 1.105 1.00 0.00 C ATOM 823 O ILE A 51 12.269 4.534 0.475 1.00 0.00 O ATOM 824 CB ILE A 51 11.168 6.448 3.212 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.290 7.834 3.842 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.889 5.405 4.050 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.720 8.268 4.091 1.00 0.00 C ATOM 0 H ILE A 51 10.352 8.026 1.471 1.00 0.00 H new ATOM 0 HA ILE A 51 12.801 6.607 1.799 1.00 0.00 H new ATOM 0 HB ILE A 51 10.113 6.175 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.807 8.563 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.748 7.842 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.482 5.406 5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.750 4.420 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.953 5.639 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.726 9.261 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.202 7.562 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.262 8.293 3.146 1.00 0.00 H new ATOM 839 N LEU A 52 10.171 4.686 1.265 1.00 0.00 N ATOM 840 CA LEU A 52 9.736 3.431 0.667 1.00 0.00 C ATOM 841 C LEU A 52 8.883 3.669 -0.573 1.00 0.00 C ATOM 842 O LEU A 52 7.812 4.266 -0.487 1.00 0.00 O ATOM 843 CB LEU A 52 8.934 2.609 1.679 1.00 0.00 C ATOM 844 CG LEU A 52 9.756 1.631 2.515 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.950 1.133 3.701 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.225 0.464 1.661 1.00 0.00 C ATOM 0 H LEU A 52 9.452 5.167 1.805 1.00 0.00 H new ATOM 0 HA LEU A 52 10.631 2.883 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.418 3.293 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.167 2.050 1.143 1.00 0.00 H new ATOM 0 HG LEU A 52 10.633 2.156 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.553 0.437 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.664 1.978 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.054 0.626 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.809 -0.223 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.360 -0.059 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.842 0.836 0.844 1.00 0.00 H new ATOM 858 N GLU A 53 9.374 3.218 -1.728 1.00 0.00 N ATOM 859 CA GLU A 53 8.635 3.347 -2.977 1.00 0.00 C ATOM 860 C GLU A 53 7.422 2.428 -2.957 1.00 0.00 C ATOM 861 O GLU A 53 7.371 1.425 -3.670 1.00 0.00 O ATOM 862 CB GLU A 53 9.531 3.001 -4.164 1.00 0.00 C ATOM 863 CG GLU A 53 9.951 4.207 -4.973 1.00 0.00 C ATOM 864 CD GLU A 53 9.145 4.368 -6.248 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.098 5.047 -6.207 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.562 3.814 -7.287 1.00 0.00 O ATOM 0 H GLU A 53 10.281 2.761 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 53 8.301 4.379 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.422 2.489 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.005 2.302 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.842 5.104 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.008 4.120 -5.225 1.00 0.00 H new ATOM 873 N VAL A 54 6.455 2.776 -2.125 1.00 0.00 N ATOM 874 CA VAL A 54 5.244 1.990 -1.986 1.00 0.00 C ATOM 875 C VAL A 54 4.328 2.152 -3.186 1.00 0.00 C ATOM 876 O VAL A 54 3.429 2.994 -3.185 1.00 0.00 O ATOM 877 CB VAL A 54 4.467 2.374 -0.720 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.299 1.423 -0.512 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.391 2.390 0.487 1.00 0.00 C ATOM 0 H VAL A 54 6.488 3.605 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 54 5.562 0.950 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 54 4.065 3.380 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.756 1.706 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.630 1.475 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.673 0.405 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.823 2.664 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.826 1.400 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.187 3.117 0.326 1.00 0.00 H new ATOM 889 N VAL A 55 4.565 1.353 -4.212 1.00 0.00 N ATOM 890 CA VAL A 55 3.737 1.395 -5.399 1.00 0.00 C ATOM 891 C VAL A 55 2.430 0.673 -5.128 1.00 0.00 C ATOM 892 O VAL A 55 2.285 -0.518 -5.407 1.00 0.00 O ATOM 893 CB VAL A 55 4.429 0.753 -6.605 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.575 0.925 -7.850 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.815 1.350 -6.807 1.00 0.00 C ATOM 0 H VAL A 55 5.322 0.670 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 55 3.553 2.442 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 55 4.548 -0.314 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.076 0.465 -8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.608 0.447 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.428 1.987 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.291 0.881 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.727 2.423 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.420 1.174 -5.918 1.00 0.00 H new ATOM 905 N CYS A 56 1.491 1.409 -4.567 1.00 0.00 N ATOM 906 CA CYS A 56 0.188 0.865 -4.221 1.00 0.00 C ATOM 907 C CYS A 56 -0.610 0.520 -5.467 1.00 0.00 C ATOM 908 O CYS A 56 -0.652 1.288 -6.428 1.00 0.00 O ATOM 909 CB CYS A 56 -0.589 1.854 -3.353 1.00 0.00 C ATOM 910 SG CYS A 56 -2.305 1.376 -3.040 1.00 0.00 S ATOM 0 H CYS A 56 1.606 2.396 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 56 0.347 -0.053 -3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.074 1.965 -2.398 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.578 2.831 -3.836 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.877 2.275 -2.295 1.00 0.00 H new ATOM 916 N LYS A 57 -1.242 -0.643 -5.438 1.00 0.00 N ATOM 917 CA LYS A 57 -2.039 -1.111 -6.554 1.00 0.00 C ATOM 918 C LYS A 57 -3.358 -1.689 -6.066 1.00 0.00 C ATOM 919 O LYS A 57 -3.723 -2.819 -6.399 1.00 0.00 O ATOM 920 CB LYS A 57 -1.269 -2.158 -7.336 1.00 0.00 C ATOM 921 CG LYS A 57 -0.089 -1.599 -8.114 1.00 0.00 C ATOM 922 CD LYS A 57 0.644 -2.690 -8.877 1.00 0.00 C ATOM 923 CE LYS A 57 1.811 -2.127 -9.672 1.00 0.00 C ATOM 924 NZ LYS A 57 1.367 -1.127 -10.680 1.00 0.00 N ATOM 0 H LYS A 57 -1.216 -1.283 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.254 -0.264 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.908 -2.921 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.949 -2.652 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.440 -0.839 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.601 -1.108 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.008 -3.442 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.049 -3.192 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.524 -1.663 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.334 -2.941 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.140 -0.945 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.541 -1.495 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.110 -0.241 -10.200 1.00 0.00 H new ATOM 938 N TYR A 58 -4.043 -0.917 -5.240 1.00 0.00 N ATOM 939 CA TYR A 58 -5.343 -1.315 -4.715 1.00 0.00 C ATOM 940 C TYR A 58 -6.248 -1.701 -5.882 1.00 0.00 C ATOM 941 O TYR A 58 -6.559 -0.869 -6.733 1.00 0.00 O ATOM 942 CB TYR A 58 -5.951 -0.153 -3.902 1.00 0.00 C ATOM 943 CG TYR A 58 -7.280 -0.436 -3.216 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.194 -1.356 -3.728 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.626 0.246 -2.053 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.404 -1.586 -3.111 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.838 0.016 -1.428 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.724 -0.896 -1.962 1.00 0.00 C ATOM 949 OH TYR A 58 -10.930 -1.122 -1.341 1.00 0.00 O ATOM 0 H TYR A 58 -3.720 -0.005 -4.915 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.238 -2.173 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.230 0.147 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.084 0.699 -4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.948 -1.900 -4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.938 0.965 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.098 -2.303 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.090 0.550 -0.523 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.999 -0.556 -0.544 1.00 0.00 H new ATOM 959 N THR A 59 -6.657 -2.968 -5.921 1.00 0.00 N ATOM 960 CA THR A 59 -7.522 -3.463 -6.989 1.00 0.00 C ATOM 961 C THR A 59 -8.990 -3.473 -6.559 1.00 0.00 C ATOM 962 O THR A 59 -9.423 -4.363 -5.827 1.00 0.00 O ATOM 963 CB THR A 59 -7.114 -4.885 -7.424 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.717 -4.918 -7.740 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.918 -5.336 -8.632 1.00 0.00 C ATOM 0 H THR A 59 -6.403 -3.670 -5.226 1.00 0.00 H new ATOM 0 HA THR A 59 -7.403 -2.782 -7.832 1.00 0.00 H new ATOM 0 HB THR A 59 -7.319 -5.564 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.465 -5.825 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.611 -6.342 -8.919 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.979 -5.338 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.741 -4.652 -9.462 1.00 0.00 H new ATOM 973 N PRO A 60 -9.771 -2.475 -7.010 1.00 0.00 N ATOM 974 CA PRO A 60 -11.174 -2.330 -6.698 1.00 0.00 C ATOM 975 C PRO A 60 -12.058 -2.676 -7.891 1.00 0.00 C ATOM 976 O PRO A 60 -13.172 -2.169 -8.020 1.00 0.00 O ATOM 977 CB PRO A 60 -11.233 -0.837 -6.414 1.00 0.00 C ATOM 978 CG PRO A 60 -10.252 -0.236 -7.380 1.00 0.00 C ATOM 979 CD PRO A 60 -9.362 -1.361 -7.858 1.00 0.00 C ATOM 0 HA PRO A 60 -11.523 -2.978 -5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.237 -0.442 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.960 -0.617 -5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.771 0.229 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.663 0.544 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.516 -1.579 -8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.306 -1.123 -7.733 1.00 0.00 H new ATOM 987 N THR A 61 -11.552 -3.546 -8.759 1.00 0.00 N ATOM 988 CA THR A 61 -12.290 -3.956 -9.949 1.00 0.00 C ATOM 989 C THR A 61 -12.798 -5.390 -9.824 1.00 0.00 C ATOM 990 O THR A 61 -12.163 -6.227 -9.184 1.00 0.00 O ATOM 991 CB THR A 61 -11.427 -3.832 -11.220 1.00 0.00 C ATOM 992 OG1 THR A 61 -12.116 -4.392 -12.343 1.00 0.00 O ATOM 993 CG2 THR A 61 -10.088 -4.534 -11.042 1.00 0.00 C ATOM 0 H THR A 61 -10.634 -3.981 -8.661 1.00 0.00 H new ATOM 0 HA THR A 61 -13.143 -3.283 -10.034 1.00 0.00 H new ATOM 0 HB THR A 61 -11.243 -2.772 -11.398 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.559 -4.306 -13.145 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.499 -4.431 -11.953 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.549 -4.083 -10.209 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.256 -5.591 -10.836 1.00 0.00 H new ATOM 1001 N PRO A 62 -13.957 -5.689 -10.438 1.00 0.00 N ATOM 1002 CA PRO A 62 -14.560 -7.026 -10.392 1.00 0.00 C ATOM 1003 C PRO A 62 -13.700 -8.076 -11.086 1.00 0.00 C ATOM 1004 O PRO A 62 -13.026 -7.788 -12.075 1.00 0.00 O ATOM 1005 CB PRO A 62 -15.895 -6.853 -11.132 1.00 0.00 C ATOM 1006 CG PRO A 62 -16.132 -5.381 -11.176 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.771 -4.753 -11.226 1.00 0.00 C ATOM 0 HA PRO A 62 -14.672 -7.380 -9.367 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -15.846 -7.274 -12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.703 -7.366 -10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -16.723 -5.105 -12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -16.686 -5.047 -10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.405 -4.659 -12.248 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.770 -3.752 -10.794 1.00 0.00 H new ATOM 1015 N SER A 63 -13.731 -9.297 -10.561 1.00 0.00 N ATOM 1016 CA SER A 63 -12.959 -10.397 -11.128 1.00 0.00 C ATOM 1017 C SER A 63 -13.672 -10.979 -12.346 1.00 0.00 C ATOM 1018 O SER A 63 -14.583 -10.357 -12.895 1.00 0.00 O ATOM 1019 CB SER A 63 -12.741 -11.485 -10.072 1.00 0.00 C ATOM 1020 OG SER A 63 -11.808 -12.454 -10.518 1.00 0.00 O ATOM 0 H SER A 63 -14.284 -9.550 -9.742 1.00 0.00 H new ATOM 0 HA SER A 63 -11.989 -10.014 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.384 -11.031 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.691 -11.969 -9.844 1.00 0.00 H new ATOM 0 HG SER A 63 -11.687 -13.135 -9.824 1.00 0.00 H new ATOM 1026 N SER A 64 -13.252 -12.169 -12.768 1.00 0.00 N ATOM 1027 CA SER A 64 -13.853 -12.831 -13.920 1.00 0.00 C ATOM 1028 C SER A 64 -15.372 -12.898 -13.781 1.00 0.00 C ATOM 1029 O SER A 64 -16.102 -12.279 -14.555 1.00 0.00 O ATOM 1030 CB SER A 64 -13.284 -14.241 -14.081 1.00 0.00 C ATOM 1031 OG SER A 64 -11.881 -14.206 -14.280 1.00 0.00 O ATOM 0 H SER A 64 -12.497 -12.694 -12.328 1.00 0.00 H new ATOM 0 HA SER A 64 -13.612 -12.245 -14.807 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.514 -14.833 -13.195 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.762 -14.735 -14.927 1.00 0.00 H new ATOM 0 HG SER A 64 -11.542 -15.120 -14.378 1.00 0.00 H new ATOM 1037 N THR A 65 -15.839 -13.650 -12.789 1.00 0.00 N ATOM 1038 CA THR A 65 -17.267 -13.794 -12.546 1.00 0.00 C ATOM 1039 C THR A 65 -17.710 -12.964 -11.343 1.00 0.00 C ATOM 1040 O THR A 65 -16.913 -12.684 -10.447 1.00 0.00 O ATOM 1041 CB THR A 65 -17.648 -15.265 -12.306 1.00 0.00 C ATOM 1042 OG1 THR A 65 -16.873 -15.802 -11.227 1.00 0.00 O ATOM 1043 CG2 THR A 65 -17.426 -16.095 -13.560 1.00 0.00 C ATOM 0 H THR A 65 -15.247 -14.169 -12.141 1.00 0.00 H new ATOM 0 HA THR A 65 -17.777 -13.433 -13.439 1.00 0.00 H new ATOM 0 HB THR A 65 -18.706 -15.305 -12.048 1.00 0.00 H new ATOM 0 HG1 THR A 65 -17.123 -16.738 -11.079 1.00 0.00 H new ATOM 0 HG21 THR A 65 -17.703 -17.131 -13.364 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.041 -15.702 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.375 -16.048 -13.846 1.00 0.00 H new ATOM 1051 N PRO A 66 -18.993 -12.560 -11.309 1.00 0.00 N ATOM 1052 CA PRO A 66 -19.547 -11.760 -10.208 1.00 0.00 C ATOM 1053 C PRO A 66 -19.822 -12.592 -8.966 1.00 0.00 C ATOM 1054 O PRO A 66 -20.531 -12.162 -8.056 1.00 0.00 O ATOM 1055 CB PRO A 66 -20.855 -11.241 -10.797 1.00 0.00 C ATOM 1056 CG PRO A 66 -21.278 -12.332 -11.715 1.00 0.00 C ATOM 1057 CD PRO A 66 -20.010 -12.839 -12.343 1.00 0.00 C ATOM 0 HA PRO A 66 -18.861 -10.980 -9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.599 -11.057 -10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.711 -10.301 -11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.792 -13.125 -11.172 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.971 -11.963 -12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -20.071 -13.903 -12.573 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.788 -12.323 -13.277 1.00 0.00 H new ATOM 1065 N MET A 67 -19.252 -13.783 -8.941 1.00 0.00 N ATOM 1066 CA MET A 67 -19.425 -14.698 -7.819 1.00 0.00 C ATOM 1067 C MET A 67 -18.514 -14.319 -6.656 1.00 0.00 C ATOM 1068 O MET A 67 -18.608 -14.892 -5.570 1.00 0.00 O ATOM 1069 CB MET A 67 -19.139 -16.136 -8.258 1.00 0.00 C ATOM 1070 CG MET A 67 -20.056 -16.626 -9.367 1.00 0.00 C ATOM 1071 SD MET A 67 -19.695 -18.319 -9.872 1.00 0.00 S ATOM 1072 CE MET A 67 -20.018 -19.204 -8.347 1.00 0.00 C ATOM 0 H MET A 67 -18.660 -14.144 -9.689 1.00 0.00 H new ATOM 0 HA MET A 67 -20.459 -14.625 -7.482 1.00 0.00 H new ATOM 0 HB2 MET A 67 -18.105 -16.205 -8.595 1.00 0.00 H new ATOM 0 HB3 MET A 67 -19.238 -16.797 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.091 -16.564 -9.031 1.00 0.00 H new ATOM 0 HG3 MET A 67 -19.961 -15.966 -10.229 1.00 0.00 H new ATOM 0 HE1 MET A 67 -20.189 -20.258 -8.567 1.00 0.00 H new ATOM 0 HE2 MET A 67 -19.161 -19.106 -7.681 1.00 0.00 H new ATOM 0 HE3 MET A 67 -20.902 -18.787 -7.864 1.00 0.00 H new ATOM 1082 N VAL A 68 -17.633 -13.352 -6.889 1.00 0.00 N ATOM 1083 CA VAL A 68 -16.704 -12.899 -5.859 1.00 0.00 C ATOM 1084 C VAL A 68 -16.689 -11.375 -5.773 1.00 0.00 C ATOM 1085 O VAL A 68 -15.684 -10.770 -5.401 1.00 0.00 O ATOM 1086 CB VAL A 68 -15.273 -13.409 -6.127 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -14.426 -13.325 -4.865 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -15.300 -14.833 -6.662 1.00 0.00 C ATOM 0 H VAL A 68 -17.542 -12.867 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 68 -17.050 -13.310 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.821 -12.769 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.421 -13.690 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.373 -12.289 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.877 -13.936 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.280 -15.173 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.775 -15.487 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.864 -14.861 -7.595 1.00 0.00 H new ATOM 1098 N GLY A 69 -17.819 -10.765 -6.111 1.00 0.00 N ATOM 1099 CA GLY A 69 -17.929 -9.317 -6.070 1.00 0.00 C ATOM 1100 C GLY A 69 -16.800 -8.625 -6.809 1.00 0.00 C ATOM 1101 O GLY A 69 -16.607 -8.843 -8.006 1.00 0.00 O ATOM 0 H GLY A 69 -18.664 -11.249 -6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -18.882 -9.016 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.935 -8.986 -5.031 1.00 0.00 H new ATOM 1105 N VAL A 70 -16.053 -7.788 -6.095 1.00 0.00 N ATOM 1106 CA VAL A 70 -14.936 -7.064 -6.689 1.00 0.00 C ATOM 1107 C VAL A 70 -13.654 -7.887 -6.612 1.00 0.00 C ATOM 1108 O VAL A 70 -13.469 -8.840 -7.369 1.00 0.00 O ATOM 1109 CB VAL A 70 -14.719 -5.697 -6.004 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -13.623 -4.909 -6.705 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -16.016 -4.903 -5.978 1.00 0.00 C ATOM 0 H VAL A 70 -16.202 -7.595 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 70 -15.185 -6.889 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.403 -5.876 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.488 -3.950 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.690 -5.472 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.904 -4.740 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.845 -3.943 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.361 -4.737 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.772 -5.460 -5.425 1.00 0.00 H new ATOM 1121 N GLY A 71 -12.775 -7.513 -5.693 1.00 0.00 N ATOM 1122 CA GLY A 71 -11.527 -8.219 -5.520 1.00 0.00 C ATOM 1123 C GLY A 71 -10.961 -8.024 -4.134 1.00 0.00 C ATOM 1124 O GLY A 71 -10.910 -8.957 -3.334 1.00 0.00 O ATOM 0 H GLY A 71 -12.909 -6.725 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.682 -9.282 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.806 -7.870 -6.260 1.00 0.00 H new ATOM 1128 N GLY A 72 -10.535 -6.801 -3.856 1.00 0.00 N ATOM 1129 CA GLY A 72 -9.979 -6.486 -2.560 1.00 0.00 C ATOM 1130 C GLY A 72 -8.670 -7.197 -2.330 1.00 0.00 C ATOM 1131 O GLY A 72 -8.439 -7.768 -1.264 1.00 0.00 O ATOM 0 H GLY A 72 -10.566 -6.019 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.828 -5.409 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.688 -6.767 -1.781 1.00 0.00 H new ATOM 1135 N ILE A 73 -7.818 -7.179 -3.343 1.00 0.00 N ATOM 1136 CA ILE A 73 -6.525 -7.832 -3.262 1.00 0.00 C ATOM 1137 C ILE A 73 -5.448 -6.905 -2.726 1.00 0.00 C ATOM 1138 O ILE A 73 -4.436 -7.359 -2.197 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.102 -8.399 -4.630 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.154 -9.916 -4.580 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -4.712 -7.926 -5.033 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -5.125 -10.521 -3.642 1.00 0.00 C ATOM 0 H ILE A 73 -8.002 -6.717 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.635 -8.657 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.797 -8.031 -5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.150 -10.228 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.998 -10.311 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.451 -8.348 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.702 -6.838 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.986 -8.253 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.216 -11.607 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.124 -10.238 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.295 -10.153 -2.630 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.685 -5.619 -2.865 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.747 -4.598 -2.412 1.00 0.00 C ATOM 1156 C TYR A 74 -3.304 -5.010 -2.699 1.00 0.00 C ATOM 1157 O TYR A 74 -2.669 -5.659 -1.870 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.913 -4.355 -0.911 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.351 -4.292 -0.445 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -7.048 -3.093 -0.447 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.008 -5.429 0.014 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.356 -3.029 -0.005 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.317 -5.370 0.451 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.985 -4.168 0.441 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.287 -4.105 0.880 1.00 0.00 O ATOM 0 H TYR A 74 -6.531 -5.245 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.965 -3.680 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.402 -5.150 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.417 -3.420 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.561 -2.196 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.486 -6.374 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.883 -2.086 -0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.814 -6.264 0.799 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.759 -3.390 0.404 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.789 -4.640 -3.870 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.417 -4.991 -4.231 1.00 0.00 C ATOM 1177 C VAL A 75 -0.454 -3.876 -3.836 1.00 0.00 C ATOM 1178 O VAL A 75 -0.268 -2.915 -4.579 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.267 -5.266 -5.742 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.186 -5.544 -6.097 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.153 -6.420 -6.174 1.00 0.00 C ATOM 0 H VAL A 75 -3.293 -4.104 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.175 -5.904 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.587 -4.374 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.269 -5.735 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.796 -4.680 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.535 -6.416 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.029 -6.594 -7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.873 -7.319 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.195 -6.177 -5.964 1.00 0.00 H new ATOM 1191 N VAL A 76 0.158 -4.008 -2.667 1.00 0.00 N ATOM 1192 CA VAL A 76 1.092 -2.996 -2.187 1.00 0.00 C ATOM 1193 C VAL A 76 2.544 -3.411 -2.416 1.00 0.00 C ATOM 1194 O VAL A 76 3.050 -4.319 -1.757 1.00 0.00 O ATOM 1195 CB VAL A 76 0.888 -2.706 -0.687 1.00 0.00 C ATOM 1196 CG1 VAL A 76 1.765 -1.544 -0.245 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.577 -2.421 -0.387 1.00 0.00 C ATOM 0 H VAL A 76 0.027 -4.799 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 76 0.885 -2.093 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 76 1.182 -3.591 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.608 -1.353 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.812 -1.792 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.504 -0.653 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.698 -2.219 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.904 -1.553 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.180 -3.286 -0.663 1.00 0.00 H new ATOM 1207 N LEU A 77 3.206 -2.742 -3.360 1.00 0.00 N ATOM 1208 CA LEU A 77 4.608 -3.022 -3.657 1.00 0.00 C ATOM 1209 C LEU A 77 5.501 -2.057 -2.898 1.00 0.00 C ATOM 1210 O LEU A 77 5.534 -0.869 -3.197 1.00 0.00 O ATOM 1211 CB LEU A 77 4.889 -2.900 -5.157 1.00 0.00 C ATOM 1212 CG LEU A 77 4.256 -3.985 -6.032 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.719 -3.843 -7.474 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.591 -5.368 -5.495 1.00 0.00 C ATOM 0 H LEU A 77 2.794 -2.004 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 77 4.820 -4.045 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.533 -1.928 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.968 -2.917 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 77 3.173 -3.861 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.259 -4.622 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.426 -2.865 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.804 -3.940 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.132 -6.126 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.672 -5.504 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.209 -5.466 -4.479 1.00 0.00 H new ATOM 1226 N VAL A 78 6.228 -2.568 -1.919 1.00 0.00 N ATOM 1227 CA VAL A 78 7.105 -1.724 -1.126 1.00 0.00 C ATOM 1228 C VAL A 78 8.555 -1.875 -1.570 1.00 0.00 C ATOM 1229 O VAL A 78 9.205 -2.879 -1.276 1.00 0.00 O ATOM 1230 CB VAL A 78 6.984 -2.041 0.375 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.724 -0.765 1.171 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.883 -3.061 0.623 1.00 0.00 C ATOM 0 H VAL A 78 6.229 -3.553 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 78 6.792 -0.692 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 78 7.927 -2.471 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.641 -1.008 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.549 -0.069 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.796 -0.306 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.815 -3.270 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.932 -2.663 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.112 -3.982 0.087 1.00 0.00 H new ATOM 1242 N LYS A 79 9.050 -0.871 -2.291 1.00 0.00 N ATOM 1243 CA LYS A 79 10.422 -0.883 -2.791 1.00 0.00 C ATOM 1244 C LYS A 79 11.300 0.110 -2.030 1.00 0.00 C ATOM 1245 O LYS A 79 11.254 1.310 -2.290 1.00 0.00 O ATOM 1246 CB LYS A 79 10.442 -0.555 -4.283 1.00 0.00 C ATOM 1247 CG LYS A 79 10.286 -1.778 -5.172 1.00 0.00 C ATOM 1248 CD LYS A 79 10.405 -1.419 -6.645 1.00 0.00 C ATOM 1249 CE LYS A 79 9.259 -0.528 -7.101 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.362 -0.186 -8.546 1.00 0.00 N ATOM 0 H LYS A 79 8.519 -0.037 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 79 10.826 -1.883 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.640 0.150 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.380 -0.056 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.046 -2.515 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.317 -2.242 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.353 -0.911 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.417 -2.331 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.311 -1.032 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.255 0.388 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.563 0.422 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.255 0.318 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.340 -1.058 -9.112 1.00 0.00 H new ATOM 1264 N PRO A 80 12.115 -0.381 -1.081 1.00 0.00 N ATOM 1265 CA PRO A 80 13.005 0.470 -0.284 1.00 0.00 C ATOM 1266 C PRO A 80 13.869 1.389 -1.144 1.00 0.00 C ATOM 1267 O PRO A 80 14.909 0.980 -1.659 1.00 0.00 O ATOM 1268 CB PRO A 80 13.879 -0.533 0.470 1.00 0.00 C ATOM 1269 CG PRO A 80 13.055 -1.772 0.548 1.00 0.00 C ATOM 1270 CD PRO A 80 12.224 -1.802 -0.704 1.00 0.00 C ATOM 0 HA PRO A 80 12.443 1.141 0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.817 -0.714 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.136 -0.165 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.688 -2.657 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.422 -1.763 1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.701 -2.389 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.245 -2.246 -0.525 1.00 0.00 H new ATOM 1278 N ARG A 81 13.424 2.633 -1.298 1.00 0.00 N ATOM 1279 CA ARG A 81 14.153 3.619 -2.086 1.00 0.00 C ATOM 1280 C ARG A 81 15.520 3.901 -1.473 1.00 0.00 C ATOM 1281 O ARG A 81 16.502 4.107 -2.187 1.00 0.00 O ATOM 1282 CB ARG A 81 13.348 4.915 -2.175 1.00 0.00 C ATOM 1283 CG ARG A 81 12.940 5.278 -3.589 1.00 0.00 C ATOM 1284 CD ARG A 81 12.006 6.477 -3.605 1.00 0.00 C ATOM 1285 NE ARG A 81 11.627 6.858 -4.963 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.165 8.060 -5.293 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.031 9.000 -4.366 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.840 8.326 -6.550 1.00 0.00 N ATOM 0 H ARG A 81 12.559 2.982 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 81 14.300 3.215 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.453 4.820 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.938 5.730 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.828 5.499 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.449 4.426 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.109 6.246 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.491 7.321 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 81 11.722 6.161 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.283 8.801 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.676 9.922 -4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.944 7.608 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.486 9.249 -6.801 1.00 0.00 H new ATOM 1302 N LYS A 82 15.573 3.908 -0.146 1.00 0.00 N ATOM 1303 CA LYS A 82 16.814 4.167 0.572 1.00 0.00 C ATOM 1304 C LYS A 82 17.217 2.952 1.401 1.00 0.00 C ATOM 1305 O LYS A 82 16.606 1.888 1.298 1.00 0.00 O ATOM 1306 CB LYS A 82 16.650 5.388 1.479 1.00 0.00 C ATOM 1307 CG LYS A 82 16.079 6.604 0.766 1.00 0.00 C ATOM 1308 CD LYS A 82 15.986 7.803 1.694 1.00 0.00 C ATOM 1309 CE LYS A 82 15.372 9.004 0.992 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.186 9.441 -0.175 1.00 0.00 N ATOM 0 H LYS A 82 14.767 3.737 0.456 1.00 0.00 H new ATOM 0 HA LYS A 82 17.600 4.367 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.998 5.126 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.620 5.648 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.707 6.853 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.089 6.367 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.386 7.544 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.981 8.062 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.365 8.754 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.278 9.829 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.854 10.371 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.185 9.509 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.088 8.749 -0.945 1.00 0.00 H new ATOM 1324 N ARG A 83 18.251 3.115 2.221 1.00 0.00 N ATOM 1325 CA ARG A 83 18.728 2.030 3.070 1.00 0.00 C ATOM 1326 C ARG A 83 18.956 2.518 4.497 1.00 0.00 C ATOM 1327 O ARG A 83 19.679 3.488 4.726 1.00 0.00 O ATOM 1328 CB ARG A 83 20.019 1.435 2.506 1.00 0.00 C ATOM 1329 CG ARG A 83 19.839 0.780 1.146 1.00 0.00 C ATOM 1330 CD ARG A 83 21.133 0.157 0.649 1.00 0.00 C ATOM 1331 NE ARG A 83 22.186 1.153 0.464 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.389 0.872 -0.027 1.00 0.00 C ATOM 1333 NH1 ARG A 83 23.692 -0.370 -0.382 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.291 1.834 -0.166 1.00 0.00 N ATOM 0 H ARG A 83 18.773 3.986 2.315 1.00 0.00 H new ATOM 0 HA ARG A 83 17.962 1.254 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.768 2.223 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.407 0.697 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.067 0.013 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.492 1.522 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.469 -0.597 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 83 20.949 -0.355 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 83 21.987 2.118 0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.001 -1.113 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.616 -0.582 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.062 2.791 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.214 1.617 -0.543 1.00 0.00 H new ATOM 1348 N GLY A 84 18.331 1.836 5.451 1.00 0.00 N ATOM 1349 CA GLY A 84 18.468 2.212 6.847 1.00 0.00 C ATOM 1350 C GLY A 84 17.244 1.840 7.658 1.00 0.00 C ATOM 1351 O GLY A 84 17.094 0.692 8.076 1.00 0.00 O ATOM 0 H GLY A 84 17.731 1.028 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.345 1.723 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.637 3.286 6.918 1.00 0.00 H new ATOM 1355 N HIS A 85 16.369 2.814 7.883 1.00 0.00 N ATOM 1356 CA HIS A 85 15.148 2.580 8.643 1.00 0.00 C ATOM 1357 C HIS A 85 13.921 2.933 7.814 1.00 0.00 C ATOM 1358 O HIS A 85 13.612 4.106 7.602 1.00 0.00 O ATOM 1359 CB HIS A 85 15.153 3.391 9.934 1.00 0.00 C ATOM 1360 CG HIS A 85 14.028 3.049 10.862 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.904 3.836 11.004 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.858 1.998 11.699 1.00 0.00 C ATOM 1363 CE1 HIS A 85 12.093 3.285 11.889 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.648 2.169 12.324 1.00 0.00 N ATOM 0 H HIS A 85 16.483 3.771 7.550 1.00 0.00 H new ATOM 0 HA HIS A 85 15.108 1.520 8.895 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.100 3.231 10.450 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.100 4.451 9.687 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.546 1.179 11.847 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.138 3.680 12.203 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.243 1.536 13.013 1.00 0.00 H new ATOM 1373 N HIS A 86 13.232 1.903 7.351 1.00 0.00 N ATOM 1374 CA HIS A 86 12.033 2.076 6.537 1.00 0.00 C ATOM 1375 C HIS A 86 10.854 1.342 7.164 1.00 0.00 C ATOM 1376 O HIS A 86 11.041 0.435 7.975 1.00 0.00 O ATOM 1377 CB HIS A 86 12.270 1.554 5.118 1.00 0.00 C ATOM 1378 CG HIS A 86 13.391 2.236 4.398 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.598 2.541 4.994 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.487 2.670 3.119 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.384 3.134 4.113 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.734 3.223 2.969 1.00 0.00 N ATOM 0 H HIS A 86 13.483 0.930 7.525 1.00 0.00 H new ATOM 0 HA HIS A 86 11.804 3.141 6.489 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.479 0.485 5.165 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.354 1.674 4.540 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.845 2.340 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.724 2.595 2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.388 3.486 4.298 1.00 0.00 H new ATOM 1391 N THR A 87 9.640 1.732 6.784 1.00 0.00 N ATOM 1392 CA THR A 87 8.443 1.099 7.321 1.00 0.00 C ATOM 1393 C THR A 87 7.231 1.328 6.421 1.00 0.00 C ATOM 1394 O THR A 87 7.118 2.363 5.763 1.00 0.00 O ATOM 1395 CB THR A 87 8.116 1.619 8.731 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.259 1.487 9.584 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.949 0.848 9.322 1.00 0.00 C ATOM 0 H THR A 87 9.462 2.478 6.111 1.00 0.00 H new ATOM 0 HA THR A 87 8.657 0.031 7.369 1.00 0.00 H new ATOM 0 HB THR A 87 7.844 2.672 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.094 0.783 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.730 1.228 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.072 0.971 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.206 -0.209 9.385 1.00 0.00 H new ATOM 1405 N LEU A 88 6.323 0.356 6.411 1.00 0.00 N ATOM 1406 CA LEU A 88 5.114 0.440 5.601 1.00 0.00 C ATOM 1407 C LEU A 88 3.876 0.363 6.481 1.00 0.00 C ATOM 1408 O LEU A 88 3.374 -0.723 6.774 1.00 0.00 O ATOM 1409 CB LEU A 88 5.084 -0.688 4.573 1.00 0.00 C ATOM 1410 CG LEU A 88 3.796 -0.778 3.755 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.741 0.331 2.720 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.687 -2.137 3.088 1.00 0.00 C ATOM 0 H LEU A 88 6.403 -0.502 6.957 1.00 0.00 H new ATOM 0 HA LEU A 88 5.119 1.398 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.923 -0.560 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.236 -1.635 5.090 1.00 0.00 H new ATOM 0 HG LEU A 88 2.949 -0.656 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.817 0.249 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.774 1.298 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.593 0.243 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.765 -2.185 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.539 -2.286 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.679 -2.917 3.850 1.00 0.00 H new ATOM 1424 N GLU A 89 3.389 1.519 6.906 1.00 0.00 N ATOM 1425 CA GLU A 89 2.216 1.583 7.760 1.00 0.00 C ATOM 1426 C GLU A 89 0.928 1.334 6.989 1.00 0.00 C ATOM 1427 O GLU A 89 0.303 2.269 6.496 1.00 0.00 O ATOM 1428 CB GLU A 89 2.148 2.944 8.441 1.00 0.00 C ATOM 1429 CG GLU A 89 3.223 3.136 9.484 1.00 0.00 C ATOM 1430 CD GLU A 89 3.194 4.516 10.113 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.855 5.428 9.574 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.509 4.683 11.144 1.00 0.00 O ATOM 0 H GLU A 89 3.790 2.427 6.672 1.00 0.00 H new ATOM 0 HA GLU A 89 2.312 0.794 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.237 3.726 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.170 3.062 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.104 2.384 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.199 2.970 9.028 1.00 0.00 H new ATOM 1439 N LEU A 90 0.536 0.071 6.882 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.704 -0.275 6.198 1.00 0.00 C ATOM 1441 C LEU A 90 -1.809 -0.484 7.220 1.00 0.00 C ATOM 1442 O LEU A 90 -1.686 -1.310 8.124 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.546 -1.524 5.326 1.00 0.00 C ATOM 1444 CG LEU A 90 0.278 -1.330 4.051 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.317 -2.619 3.244 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.285 -0.191 3.211 1.00 0.00 C ATOM 0 H LEU A 90 1.053 -0.725 7.256 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.966 0.551 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.081 -2.308 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.538 -1.881 5.048 1.00 0.00 H new ATOM 0 HG LEU A 90 1.297 -1.069 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.907 -2.465 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.770 -3.409 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.698 -2.908 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.317 -0.072 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.314 -0.418 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.261 0.733 3.788 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.885 0.275 7.075 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.004 0.194 7.999 1.00 0.00 C ATOM 1460 C VAL A 91 -5.321 -0.063 7.269 1.00 0.00 C ATOM 1461 O VAL A 91 -5.468 0.265 6.086 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.121 1.500 8.809 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.354 2.682 7.877 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.224 1.400 9.854 1.00 0.00 C ATOM 0 H VAL A 91 -3.006 0.955 6.324 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.812 -0.644 8.669 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.182 1.661 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.435 3.597 8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.518 2.768 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.276 2.527 7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.284 2.335 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.177 1.210 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.002 0.583 10.541 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.268 -0.661 7.988 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.590 -0.952 7.445 1.00 0.00 C ATOM 1476 C TYR A 92 -8.555 0.159 7.850 1.00 0.00 C ATOM 1477 O TYR A 92 -9.296 0.027 8.824 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.080 -2.308 7.960 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.258 -2.875 7.200 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.255 -2.928 5.811 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.372 -3.363 7.872 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.328 -3.451 5.115 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.448 -3.889 7.182 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.422 -3.929 5.805 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.492 -4.450 5.114 1.00 0.00 O ATOM 0 H TYR A 92 -6.141 -0.955 8.956 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.539 -0.999 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.256 -3.020 7.914 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.355 -2.207 9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.400 -2.554 5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.398 -3.331 8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.310 -3.485 4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.305 -4.267 7.720 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.179 -4.744 5.748 1.00 0.00 H new ATOM 1495 N THR A 93 -8.536 1.258 7.096 1.00 0.00 N ATOM 1496 CA THR A 93 -9.372 2.416 7.405 1.00 0.00 C ATOM 1497 C THR A 93 -10.319 2.793 6.273 1.00 0.00 C ATOM 1498 O THR A 93 -10.021 2.577 5.103 1.00 0.00 O ATOM 1499 CB THR A 93 -8.497 3.637 7.690 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.320 4.782 7.938 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.581 3.908 6.508 1.00 0.00 C ATOM 0 H THR A 93 -7.951 1.370 6.268 1.00 0.00 H new ATOM 0 HA THR A 93 -9.964 2.129 8.274 1.00 0.00 H new ATOM 0 HB THR A 93 -7.890 3.437 8.573 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.365 5.334 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.962 4.779 6.720 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.942 3.042 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.181 4.098 5.618 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.450 3.395 6.638 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.438 3.840 5.661 1.00 0.00 C ATOM 1511 C ARG A 94 -12.126 5.267 5.204 1.00 0.00 C ATOM 1512 O ARG A 94 -12.405 6.226 5.924 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.848 3.792 6.256 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.435 2.392 6.328 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.806 2.394 6.983 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.776 3.172 6.218 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.088 3.134 6.434 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.585 2.362 7.390 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.904 3.872 5.693 1.00 0.00 N ATOM 0 H ARG A 94 -11.704 3.586 7.607 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.393 3.168 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.824 4.218 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.507 4.422 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.512 1.977 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.763 1.744 6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.162 1.368 7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.726 2.803 7.990 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.428 3.779 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.961 1.794 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.592 2.336 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.525 4.469 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.910 3.843 5.859 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.534 5.429 4.006 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.184 6.746 3.466 1.00 0.00 C ATOM 1535 C PRO A 95 -12.369 7.705 3.458 1.00 0.00 C ATOM 1536 O PRO A 95 -12.207 8.912 3.640 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.728 6.451 2.030 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.139 5.041 1.757 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.163 4.350 3.082 1.00 0.00 C ATOM 0 HA PRO A 95 -10.422 7.235 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.193 7.138 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.649 6.571 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.119 5.006 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.438 4.556 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.887 3.535 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.193 3.920 3.331 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.559 7.157 3.246 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.775 7.944 3.209 1.00 0.00 C ATOM 1549 C PHE A 96 -15.066 8.586 4.564 1.00 0.00 C ATOM 1550 O PHE A 96 -15.618 9.683 4.635 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.934 7.048 2.789 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.772 6.461 1.416 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -14.991 5.332 1.219 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.397 7.037 0.322 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.838 4.790 -0.042 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.248 6.499 -0.943 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.467 5.374 -1.125 1.00 0.00 C ATOM 0 H PHE A 96 -13.703 6.158 3.096 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.648 8.750 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.037 6.238 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.859 7.624 2.822 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.497 4.871 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.008 7.917 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.227 3.910 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.741 6.957 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.348 4.952 -2.112 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.690 7.895 5.637 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.915 8.400 6.989 1.00 0.00 C ATOM 1569 C GLU A 97 -13.618 8.906 7.612 1.00 0.00 C ATOM 1570 O GLU A 97 -13.416 10.111 7.763 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.519 7.305 7.871 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.847 6.772 7.357 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.915 7.845 7.278 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.634 8.042 8.280 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.034 8.488 6.214 1.00 0.00 O ATOM 0 H GLU A 97 -14.229 6.986 5.597 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.613 9.235 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.811 6.480 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.660 7.698 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.701 6.336 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.190 5.971 8.011 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.744 7.973 7.971 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.477 8.329 8.582 1.00 0.00 C ATOM 1584 C GLY A 98 -10.806 7.140 9.226 1.00 0.00 C ATOM 1585 O GLY A 98 -11.351 6.035 9.226 1.00 0.00 O ATOM 0 H GLY A 98 -12.891 6.971 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.816 8.753 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.641 9.103 9.332 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.625 7.365 9.778 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.872 6.299 10.414 1.00 0.00 C ATOM 1591 C ILE A 99 -9.097 6.283 11.920 1.00 0.00 C ATOM 1592 O ILE A 99 -9.228 7.331 12.552 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.374 6.434 10.117 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.167 6.858 8.658 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.670 5.117 10.404 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.767 7.354 8.361 1.00 0.00 C ATOM 0 H ILE A 99 -9.168 8.277 9.798 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.232 5.357 10.000 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.945 7.201 10.761 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.389 6.012 8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.881 7.644 8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.606 5.219 10.191 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.806 4.852 11.453 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.092 4.334 9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.696 7.636 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.548 8.221 8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.048 6.563 8.574 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.139 5.082 12.486 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.363 4.914 13.913 1.00 0.00 C ATOM 1610 C LYS A 100 -8.445 3.840 14.492 1.00 0.00 C ATOM 1611 O LYS A 100 -7.875 3.035 13.756 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.826 4.544 14.154 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.799 5.639 13.740 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.234 5.137 13.712 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.541 4.387 12.425 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.899 3.779 12.446 1.00 0.00 N ATOM 0 H LYS A 100 -9.020 4.208 11.974 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.134 5.854 14.416 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.059 3.633 13.603 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.968 4.322 15.212 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.720 6.477 14.433 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.526 6.014 12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.407 4.482 14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.917 5.980 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.462 5.070 11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.796 3.606 12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.069 3.277 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.967 3.108 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.612 4.527 12.564 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.291 3.822 15.827 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.443 2.845 16.514 1.00 0.00 C ATOM 1632 C PRO A 101 -8.008 1.433 16.422 1.00 0.00 C ATOM 1633 O PRO A 101 -7.265 0.464 16.262 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.443 3.327 17.966 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.697 4.120 18.106 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.940 4.751 16.767 1.00 0.00 C ATOM 0 HA PRO A 101 -6.447 2.787 16.074 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.427 2.488 18.661 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.565 3.936 18.180 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.532 3.481 18.394 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.594 4.879 18.882 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.005 4.854 16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.506 5.749 16.709 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.328 1.326 16.525 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.000 0.034 16.447 1.00 0.00 C ATOM 1646 C GLU A 102 -9.740 -0.631 15.101 1.00 0.00 C ATOM 1647 O GLU A 102 -9.734 -1.858 14.993 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.499 0.203 16.666 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.109 1.243 15.755 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.599 1.421 15.976 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.978 2.264 16.816 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.386 0.717 15.309 1.00 0.00 O ATOM 0 H GLU A 102 -9.954 2.119 16.663 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.598 -0.607 17.232 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.996 -0.753 16.502 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.681 0.483 17.703 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.607 2.197 15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.932 0.959 14.718 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.528 0.191 14.077 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.261 -0.309 12.732 1.00 0.00 C ATOM 1661 C ASN A 103 -8.082 -1.277 12.732 1.00 0.00 C ATOM 1662 O ASN A 103 -7.150 -1.133 13.524 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.972 0.858 11.784 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.203 1.695 11.489 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.274 2.368 10.461 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.184 1.655 12.384 1.00 0.00 N ATOM 0 H ASN A 103 -9.536 1.208 14.153 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.146 -0.844 12.388 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.202 1.494 12.222 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.570 0.469 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.036 2.195 12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.085 1.084 13.224 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.131 -2.263 11.841 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.072 -3.249 11.732 1.00 0.00 C ATOM 1675 C GLU A 104 -5.733 -2.583 11.435 1.00 0.00 C ATOM 1676 O GLU A 104 -5.679 -1.413 11.057 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.418 -4.253 10.642 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.918 -5.578 11.187 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.333 -5.491 11.725 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.493 -5.180 12.924 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -10.279 -5.734 10.948 1.00 0.00 O ATOM 0 H GLU A 104 -8.899 -2.397 11.183 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.982 -3.770 12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.180 -3.825 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.536 -4.430 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.879 -6.329 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.251 -5.915 11.981 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.655 -3.342 11.600 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.310 -2.824 11.368 1.00 0.00 C ATOM 1690 C ARG A 105 -2.498 -3.777 10.496 1.00 0.00 C ATOM 1691 O ARG A 105 -2.882 -4.926 10.290 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.598 -2.625 12.716 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.199 -2.038 12.610 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.251 -0.525 12.584 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.738 0.009 13.849 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.860 1.308 14.107 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.530 2.204 13.185 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.313 1.712 15.286 1.00 0.00 N ATOM 0 H ARG A 105 -4.686 -4.318 11.894 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.393 -1.870 10.847 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.206 -1.971 13.341 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.537 -3.587 13.226 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.595 -2.371 13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.713 -2.405 11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.257 -0.128 12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.900 -0.195 11.773 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.001 -0.652 14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.182 1.897 12.277 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.624 3.200 13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.568 1.026 15.996 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.406 2.709 15.482 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.395 -3.265 9.955 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.475 -4.050 9.142 1.00 0.00 C ATOM 1714 C TYR A 106 0.726 -3.192 8.763 1.00 0.00 C ATOM 1715 O TYR A 106 0.924 -2.845 7.601 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.166 -4.609 7.896 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.359 -5.664 7.178 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.552 -5.327 6.186 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.513 -7.005 7.499 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.286 -6.298 5.535 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.216 -7.980 6.854 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.115 -7.624 5.872 1.00 0.00 C ATOM 1723 OH TYR A 106 1.845 -8.595 5.225 1.00 0.00 O ATOM 0 H TYR A 106 -1.115 -2.291 10.070 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.133 -4.904 9.727 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.128 -5.033 8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.372 -3.790 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.688 -4.289 5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.216 -7.289 8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.991 -6.020 4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.083 -9.019 7.117 1.00 0.00 H new ATOM 0 HH TYR A 106 1.606 -9.476 5.582 1.00 0.00 H new ATOM 1733 N THR A 107 1.517 -2.838 9.769 1.00 0.00 N ATOM 1734 CA THR A 107 2.695 -2.011 9.565 1.00 0.00 C ATOM 1735 C THR A 107 3.924 -2.868 9.284 1.00 0.00 C ATOM 1736 O THR A 107 4.561 -3.379 10.206 1.00 0.00 O ATOM 1737 CB THR A 107 2.965 -1.119 10.790 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.761 -0.448 11.180 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.042 -0.094 10.487 1.00 0.00 C ATOM 0 H THR A 107 1.361 -3.114 10.738 1.00 0.00 H new ATOM 0 HA THR A 107 2.498 -1.377 8.701 1.00 0.00 H new ATOM 0 HB THR A 107 3.310 -1.755 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.939 0.117 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.214 0.524 11.368 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.966 -0.606 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.721 0.537 9.658 1.00 0.00 H new ATOM 1747 N LEU A 108 4.249 -3.023 8.006 1.00 0.00 N ATOM 1748 CA LEU A 108 5.398 -3.822 7.601 1.00 0.00 C ATOM 1749 C LEU A 108 6.701 -3.057 7.800 1.00 0.00 C ATOM 1750 O LEU A 108 7.126 -2.295 6.932 1.00 0.00 O ATOM 1751 CB LEU A 108 5.262 -4.248 6.136 1.00 0.00 C ATOM 1752 CG LEU A 108 6.439 -5.056 5.578 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.751 -6.246 6.473 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.142 -5.518 4.161 1.00 0.00 C ATOM 0 H LEU A 108 3.732 -2.605 7.232 1.00 0.00 H new ATOM 0 HA LEU A 108 5.424 -4.711 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.353 -4.840 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.134 -3.354 5.525 1.00 0.00 H new ATOM 0 HG LEU A 108 7.316 -4.409 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.590 -6.804 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.010 -5.893 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.877 -6.895 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.988 -6.090 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.251 -6.145 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.974 -4.650 3.523 1.00 0.00 H new ATOM 1766 N HIS A 109 7.329 -3.262 8.954 1.00 0.00 N ATOM 1767 CA HIS A 109 8.590 -2.599 9.264 1.00 0.00 C ATOM 1768 C HIS A 109 9.741 -3.282 8.535 1.00 0.00 C ATOM 1769 O HIS A 109 9.761 -4.505 8.389 1.00 0.00 O ATOM 1770 CB HIS A 109 8.838 -2.597 10.766 1.00 0.00 C ATOM 1771 CG HIS A 109 8.170 -1.471 11.488 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.841 -0.343 11.914 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.880 -1.302 11.865 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.995 0.469 12.522 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.798 -0.089 12.505 1.00 0.00 N ATOM 0 H HIS A 109 6.985 -3.881 9.688 1.00 0.00 H new ATOM 0 HA HIS A 109 8.529 -1.565 8.925 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.489 -3.541 11.183 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.912 -2.546 10.947 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.067 -1.992 11.694 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.240 1.426 12.959 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.950 0.315 12.903 1.00 0.00 H new ATOM 1784 N LEU A 110 10.706 -2.482 8.102 1.00 0.00 N ATOM 1785 CA LEU A 110 11.854 -2.990 7.360 1.00 0.00 C ATOM 1786 C LEU A 110 13.128 -2.222 7.700 1.00 0.00 C ATOM 1787 O LEU A 110 13.315 -1.088 7.259 1.00 0.00 O ATOM 1788 CB LEU A 110 11.598 -2.886 5.852 1.00 0.00 C ATOM 1789 CG LEU A 110 10.373 -3.646 5.336 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.135 -3.326 3.868 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.545 -5.144 5.534 1.00 0.00 C ATOM 0 H LEU A 110 10.717 -1.473 8.252 1.00 0.00 H new ATOM 0 HA LEU A 110 11.989 -4.033 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.486 -1.833 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.479 -3.253 5.326 1.00 0.00 H new ATOM 0 HG LEU A 110 9.503 -3.326 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.261 -3.873 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.965 -2.256 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.008 -3.620 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.663 -5.664 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.425 -5.484 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.670 -5.359 6.595 1.00 0.00 H new ATOM 1803 N ASN A 111 13.994 -2.842 8.492 1.00 0.00 N ATOM 1804 CA ASN A 111 15.264 -2.234 8.859 1.00 0.00 C ATOM 1805 C ASN A 111 16.259 -2.441 7.725 1.00 0.00 C ATOM 1806 O ASN A 111 17.292 -3.090 7.893 1.00 0.00 O ATOM 1807 CB ASN A 111 15.799 -2.851 10.154 1.00 0.00 C ATOM 1808 CG ASN A 111 17.066 -2.174 10.640 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.269 -0.981 10.421 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.927 -2.938 11.302 1.00 0.00 N ATOM 0 H ASN A 111 13.838 -3.767 8.892 1.00 0.00 H new ATOM 0 HA ASN A 111 15.119 -1.167 9.027 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.035 -2.783 10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.996 -3.911 9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.798 -2.539 11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.717 -3.923 11.461 1.00 0.00 H new ATOM 1817 N VAL A 112 15.919 -1.887 6.565 1.00 0.00 N ATOM 1818 CA VAL A 112 16.743 -2.010 5.370 1.00 0.00 C ATOM 1819 C VAL A 112 18.223 -1.811 5.686 1.00 0.00 C ATOM 1820 O VAL A 112 18.600 -0.851 6.356 1.00 0.00 O ATOM 1821 CB VAL A 112 16.326 -0.987 4.295 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.752 -1.460 2.917 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.826 -0.737 4.338 1.00 0.00 C ATOM 0 H VAL A 112 15.067 -1.342 6.428 1.00 0.00 H new ATOM 0 HA VAL A 112 16.590 -3.020 4.991 1.00 0.00 H new ATOM 0 HB VAL A 112 16.831 -0.045 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.449 -0.726 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.835 -1.578 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.278 -2.417 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.556 -0.012 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.296 -1.672 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.550 -0.348 5.318 1.00 0.00 H new ATOM 1833 N LYS A 113 19.057 -2.727 5.201 1.00 0.00 N ATOM 1834 CA LYS A 113 20.494 -2.650 5.429 1.00 0.00 C ATOM 1835 C LYS A 113 21.124 -1.556 4.572 1.00 0.00 C ATOM 1836 O LYS A 113 21.501 -1.852 3.418 1.00 0.00 O ATOM 1837 CB LYS A 113 21.149 -3.997 5.123 1.00 0.00 C ATOM 1838 CG LYS A 113 20.711 -5.113 6.058 1.00 0.00 C ATOM 1839 CD LYS A 113 21.200 -4.877 7.477 1.00 0.00 C ATOM 1840 CE LYS A 113 20.788 -6.009 8.405 1.00 0.00 C ATOM 1841 NZ LYS A 113 19.309 -6.169 8.465 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.235 -0.412 5.062 1.00 0.00 O ATOM 0 H LYS A 113 18.761 -3.531 4.648 1.00 0.00 H new ATOM 0 HA LYS A 113 20.659 -2.402 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.915 -4.281 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.232 -3.887 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.623 -5.186 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.095 -6.066 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.286 -4.782 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.797 -3.935 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.240 -6.940 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.173 -5.816 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.059 -6.790 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 18.864 -5.238 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.969 -6.591 7.577 1.00 0.00 H new TER 1856 LYS A 113