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 -83:sc= -0.181 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.66 K(o=-2.8,f=-6.1!) USER MOD Set 2.1: A 29 ASN : amide:sc= -6.45! K(o=-7.4!,f=1) USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= -0.921 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.0655 X(o=-0.066,f=0.31) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc=-0.00338 X(o=-0.0034,f=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -2.73! (180deg=-3.26) USER MOD Single : A 6 SER OG : rot 180:sc= -0.318 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= -0.0277 (180deg=-0.202) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -5.44! C(o=-5.4!,f=-4.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.585 USER MOD Single : A 22 THR OG1 : rot 55:sc= 0.121 USER MOD Single : A 25 HIS : no HE2:sc= -1.96 K(o=-2,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0458 (180deg=-0.265) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -106:sc= -2.44! (180deg=-8.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0584 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= -0.0467 (180deg=-0.0511) USER MOD Single : A 48 SER OG : rot 41:sc= -0.311 USER MOD Single : A 56 CYS SG : rot 46:sc= -1.79! USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.14 (180deg=-0.597) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.882 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -86:sc= -0.509 USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -18:sc= 0.677 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.498 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0189 (180deg=-0.188) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0333 USER MOD Single : A 93 THR OG1 : rot -110:sc= -2.09! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.3!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.944 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 111 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.37) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -15.508 4.138 20.580 1.00 0.00 N ATOM 2 CA GLY A -2 -14.376 5.106 20.544 1.00 0.00 C ATOM 3 C GLY A -2 -13.472 4.984 21.754 1.00 0.00 C ATOM 4 O GLY A -2 -13.812 5.447 22.842 1.00 0.00 O ATOM 0 H1 GLY A -2 -16.097 4.261 19.732 1.00 0.00 H new ATOM 0 H2 GLY A -2 -15.134 3.168 20.605 1.00 0.00 H new ATOM 0 H3 GLY A -2 -16.084 4.309 21.429 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -13.791 4.943 19.639 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -14.771 6.121 20.490 1.00 0.00 H new ATOM 10 N SER A -1 -12.313 4.359 21.563 1.00 0.00 N ATOM 11 CA SER A -1 -11.355 4.177 22.648 1.00 0.00 C ATOM 12 C SER A -1 -9.928 4.385 22.152 1.00 0.00 C ATOM 13 O SER A -1 -9.598 4.042 21.017 1.00 0.00 O ATOM 14 CB SER A -1 -11.498 2.779 23.253 1.00 0.00 C ATOM 15 OG SER A -1 -10.575 2.583 24.310 1.00 0.00 O ATOM 0 H SER A -1 -12.015 3.971 20.668 1.00 0.00 H new ATOM 0 HA SER A -1 -11.567 4.921 23.416 1.00 0.00 H new ATOM 0 HB2 SER A -1 -12.514 2.642 23.623 1.00 0.00 H new ATOM 0 HB3 SER A -1 -11.336 2.027 22.481 1.00 0.00 H new ATOM 0 HG SER A -1 -10.688 1.683 24.680 1.00 0.00 H new ATOM 21 N HIS A 0 -9.085 4.949 23.012 1.00 0.00 N ATOM 22 CA HIS A 0 -7.692 5.203 22.663 1.00 0.00 C ATOM 23 C HIS A 0 -6.753 4.381 23.539 1.00 0.00 C ATOM 24 O HIS A 0 -6.692 4.574 24.754 1.00 0.00 O ATOM 25 CB HIS A 0 -7.372 6.692 22.811 1.00 0.00 C ATOM 26 CG HIS A 0 -8.212 7.575 21.941 1.00 0.00 C ATOM 27 ND1 HIS A 0 -7.766 8.100 20.747 1.00 0.00 N ATOM 28 CD2 HIS A 0 -9.479 8.028 22.099 1.00 0.00 C ATOM 29 CE1 HIS A 0 -8.721 8.838 20.208 1.00 0.00 C ATOM 30 NE2 HIS A 0 -9.771 8.809 21.009 1.00 0.00 N ATOM 0 H HIS A 0 -9.343 5.239 23.955 1.00 0.00 H new ATOM 0 HA HIS A 0 -7.544 4.907 21.625 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -7.511 6.983 23.852 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -6.321 6.855 22.572 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -10.137 7.814 22.928 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -8.654 9.373 19.272 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -10.656 9.289 20.844 1.00 0.00 H new ATOM 39 N MET A 1 -6.022 3.461 22.915 1.00 0.00 N ATOM 40 CA MET A 1 -5.085 2.608 23.636 1.00 0.00 C ATOM 41 C MET A 1 -3.746 2.537 22.912 1.00 0.00 C ATOM 42 O MET A 1 -2.710 2.281 23.526 1.00 0.00 O ATOM 43 CB MET A 1 -5.665 1.202 23.800 1.00 0.00 C ATOM 44 CG MET A 1 -6.970 1.169 24.579 1.00 0.00 C ATOM 45 SD MET A 1 -7.623 -0.502 24.772 1.00 0.00 S ATOM 46 CE MET A 1 -7.889 -0.963 23.061 1.00 0.00 C ATOM 0 H MET A 1 -6.062 3.288 21.911 1.00 0.00 H new ATOM 0 HA MET A 1 -4.921 3.043 24.622 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.829 0.769 22.814 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.933 0.573 24.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.812 1.609 25.564 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.709 1.787 24.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.556 -1.824 23.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.338 -0.127 22.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.935 -1.219 22.601 1.00 0.00 H new ATOM 56 N ILE A 2 -3.776 2.764 21.599 1.00 0.00 N ATOM 57 CA ILE A 2 -2.566 2.726 20.783 1.00 0.00 C ATOM 58 C ILE A 2 -1.889 1.357 20.874 1.00 0.00 C ATOM 59 O ILE A 2 -0.736 1.191 20.475 1.00 0.00 O ATOM 60 CB ILE A 2 -1.566 3.823 21.209 1.00 0.00 C ATOM 61 CG1 ILE A 2 -2.306 5.131 21.503 1.00 0.00 C ATOM 62 CG2 ILE A 2 -0.518 4.039 20.123 1.00 0.00 C ATOM 63 CD1 ILE A 2 -1.418 6.221 22.065 1.00 0.00 C ATOM 0 H ILE A 2 -4.627 2.976 21.078 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.867 2.909 19.752 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.060 3.497 22.118 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.769 5.490 20.584 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.112 4.931 22.209 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.179 4.815 20.439 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.026 3.110 19.953 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.009 4.346 19.200 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.012 7.116 22.248 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.975 5.882 23.001 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.627 6.450 21.351 1.00 0.00 H new ATOM 75 N ALA A 3 -2.621 0.377 21.395 1.00 0.00 N ATOM 76 CA ALA A 3 -2.097 -0.976 21.539 1.00 0.00 C ATOM 77 C ALA A 3 -3.111 -2.010 21.055 1.00 0.00 C ATOM 78 O ALA A 3 -4.317 -1.771 21.099 1.00 0.00 O ATOM 79 CB ALA A 3 -1.718 -1.241 22.988 1.00 0.00 C ATOM 0 H ALA A 3 -3.579 0.495 21.724 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.204 -1.064 20.920 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.328 -2.254 23.083 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.955 -0.528 23.301 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.599 -1.131 23.620 1.00 0.00 H new ATOM 85 N PRO A 4 -2.632 -3.178 20.582 1.00 0.00 N ATOM 86 CA PRO A 4 -3.507 -4.248 20.089 1.00 0.00 C ATOM 87 C PRO A 4 -4.551 -4.663 21.121 1.00 0.00 C ATOM 88 O PRO A 4 -4.284 -4.664 22.322 1.00 0.00 O ATOM 89 CB PRO A 4 -2.543 -5.404 19.812 1.00 0.00 C ATOM 90 CG PRO A 4 -1.220 -4.754 19.596 1.00 0.00 C ATOM 91 CD PRO A 4 -1.206 -3.545 20.488 1.00 0.00 C ATOM 0 HA PRO A 4 -4.077 -3.934 19.214 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.509 -6.100 20.650 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.851 -5.974 18.936 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.405 -5.434 19.846 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.090 -4.471 18.552 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.783 -3.772 21.467 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.610 -2.738 20.063 1.00 0.00 H new ATOM 99 N LEU A 5 -5.740 -5.015 20.642 1.00 0.00 N ATOM 100 CA LEU A 5 -6.826 -5.433 21.521 1.00 0.00 C ATOM 101 C LEU A 5 -7.353 -6.806 21.116 1.00 0.00 C ATOM 102 O LEU A 5 -7.258 -7.768 21.880 1.00 0.00 O ATOM 103 CB LEU A 5 -7.962 -4.407 21.486 1.00 0.00 C ATOM 104 CG LEU A 5 -9.157 -4.729 22.387 1.00 0.00 C ATOM 105 CD1 LEU A 5 -8.744 -4.714 23.851 1.00 0.00 C ATOM 106 CD2 LEU A 5 -10.290 -3.745 22.139 1.00 0.00 C ATOM 0 H LEU A 5 -5.976 -5.019 19.650 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.435 -5.498 22.537 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.562 -3.435 21.774 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.316 -4.315 20.459 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.512 -5.730 22.144 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.607 -4.945 24.475 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.966 -5.459 24.017 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.362 -3.727 24.111 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.132 -3.988 22.788 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.947 -2.733 22.354 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.605 -3.808 21.097 1.00 0.00 H new ATOM 118 N SER A 6 -7.909 -6.890 19.912 1.00 0.00 N ATOM 119 CA SER A 6 -8.449 -8.146 19.404 1.00 0.00 C ATOM 120 C SER A 6 -7.344 -9.006 18.800 1.00 0.00 C ATOM 121 O SER A 6 -6.210 -8.553 18.637 1.00 0.00 O ATOM 122 CB SER A 6 -9.531 -7.873 18.357 1.00 0.00 C ATOM 123 OG SER A 6 -10.080 -9.082 17.862 1.00 0.00 O ATOM 0 H SER A 6 -7.998 -6.103 19.269 1.00 0.00 H new ATOM 0 HA SER A 6 -8.891 -8.689 20.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.321 -7.265 18.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.107 -7.298 17.533 1.00 0.00 H new ATOM 0 HG SER A 6 -10.770 -8.880 17.196 1.00 0.00 H new ATOM 129 N VAL A 7 -7.681 -10.249 18.470 1.00 0.00 N ATOM 130 CA VAL A 7 -6.716 -11.172 17.884 1.00 0.00 C ATOM 131 C VAL A 7 -6.395 -10.789 16.443 1.00 0.00 C ATOM 132 O VAL A 7 -7.163 -11.083 15.526 1.00 0.00 O ATOM 133 CB VAL A 7 -7.234 -12.623 17.918 1.00 0.00 C ATOM 134 CG1 VAL A 7 -6.173 -13.583 17.400 1.00 0.00 C ATOM 135 CG2 VAL A 7 -7.669 -13.004 19.325 1.00 0.00 C ATOM 0 H VAL A 7 -8.614 -10.640 18.598 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.809 -11.106 18.484 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.103 -12.693 17.264 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.558 -14.602 17.432 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.918 -13.323 16.373 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.282 -13.512 18.024 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.031 -14.032 19.328 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.821 -12.916 20.004 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.467 -12.337 19.652 1.00 0.00 H new ATOM 145 N LYS A 8 -5.258 -10.127 16.253 1.00 0.00 N ATOM 146 CA LYS A 8 -4.830 -9.703 14.933 1.00 0.00 C ATOM 147 C LYS A 8 -3.322 -9.511 14.901 1.00 0.00 C ATOM 148 O LYS A 8 -2.752 -8.813 15.739 1.00 0.00 O ATOM 149 CB LYS A 8 -5.539 -8.409 14.537 1.00 0.00 C ATOM 150 CG LYS A 8 -5.500 -7.331 15.609 1.00 0.00 C ATOM 151 CD LYS A 8 -4.386 -6.328 15.356 1.00 0.00 C ATOM 152 CE LYS A 8 -4.309 -5.288 16.461 1.00 0.00 C ATOM 153 NZ LYS A 8 -5.579 -4.519 16.590 1.00 0.00 N ATOM 0 H LYS A 8 -4.616 -9.873 17.004 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.095 -10.479 14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.082 -8.020 13.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.579 -8.634 14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.458 -6.812 15.638 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.358 -7.794 16.586 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.433 -6.852 15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.552 -5.832 14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.085 -5.780 17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.488 -4.601 16.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.429 -3.704 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.878 -4.183 15.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.317 -5.133 16.990 1.00 0.00 H new ATOM 167 N ASP A 9 -2.679 -10.149 13.935 1.00 0.00 N ATOM 168 CA ASP A 9 -1.234 -10.048 13.789 1.00 0.00 C ATOM 169 C ASP A 9 -0.878 -9.367 12.474 1.00 0.00 C ATOM 170 O ASP A 9 -1.121 -9.912 11.397 1.00 0.00 O ATOM 171 CB ASP A 9 -0.591 -11.432 13.846 1.00 0.00 C ATOM 172 CG ASP A 9 0.921 -11.365 13.939 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.581 -11.351 12.879 1.00 0.00 O ATOM 174 OD2 ASP A 9 1.445 -11.326 15.072 1.00 0.00 O ATOM 0 H ASP A 9 -3.134 -10.742 13.241 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.850 -9.447 14.614 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.981 -11.975 14.706 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.873 -11.997 12.958 1.00 0.00 H new ATOM 179 N ASN A 10 -0.304 -8.176 12.567 1.00 0.00 N ATOM 180 CA ASN A 10 0.072 -7.417 11.386 1.00 0.00 C ATOM 181 C ASN A 10 1.532 -6.987 11.425 1.00 0.00 C ATOM 182 O ASN A 10 2.407 -7.666 10.888 1.00 0.00 O ATOM 183 CB ASN A 10 -0.823 -6.189 11.261 1.00 0.00 C ATOM 184 CG ASN A 10 -1.412 -5.744 12.586 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.419 -6.284 13.045 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.793 -4.740 13.201 1.00 0.00 N ATOM 0 H ASN A 10 -0.089 -7.715 13.451 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.058 -8.065 10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.247 -5.369 10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.633 -6.407 10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.150 -4.388 14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.039 -4.322 12.784 1.00 0.00 H new ATOM 193 N ASP A 11 1.765 -5.843 12.057 1.00 0.00 N ATOM 194 CA ASP A 11 3.091 -5.256 12.191 1.00 0.00 C ATOM 195 C ASP A 11 4.204 -6.290 12.108 1.00 0.00 C ATOM 196 O ASP A 11 4.414 -7.083 13.026 1.00 0.00 O ATOM 197 CB ASP A 11 3.189 -4.486 13.503 1.00 0.00 C ATOM 198 CG ASP A 11 2.503 -5.206 14.649 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.086 -6.175 15.178 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.380 -4.800 15.017 1.00 0.00 O ATOM 0 H ASP A 11 1.028 -5.291 12.496 1.00 0.00 H new ATOM 0 HA ASP A 11 3.226 -4.576 11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.239 -4.330 13.752 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.741 -3.500 13.377 1.00 0.00 H new ATOM 205 N LYS A 12 4.908 -6.263 10.987 1.00 0.00 N ATOM 206 CA LYS A 12 6.022 -7.166 10.743 1.00 0.00 C ATOM 207 C LYS A 12 7.340 -6.406 10.847 1.00 0.00 C ATOM 208 O LYS A 12 7.774 -5.750 9.899 1.00 0.00 O ATOM 209 CB LYS A 12 5.886 -7.821 9.367 1.00 0.00 C ATOM 210 CG LYS A 12 7.164 -8.482 8.884 1.00 0.00 C ATOM 211 CD LYS A 12 6.965 -9.196 7.559 1.00 0.00 C ATOM 212 CE LYS A 12 8.278 -9.733 7.017 1.00 0.00 C ATOM 213 NZ LYS A 12 8.102 -10.417 5.705 1.00 0.00 N ATOM 0 H LYS A 12 4.723 -5.615 10.221 1.00 0.00 H new ATOM 0 HA LYS A 12 6.011 -7.952 11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.092 -8.567 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.580 -7.066 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.945 -7.729 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.510 -9.195 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.260 -10.017 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.525 -8.509 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.987 -8.913 6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.708 -10.431 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.022 -10.768 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.445 -11.216 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.716 -9.745 5.012 1.00 0.00 H new ATOM 227 N TRP A 13 7.963 -6.495 12.012 1.00 0.00 N ATOM 228 CA TRP A 13 9.218 -5.817 12.284 1.00 0.00 C ATOM 229 C TRP A 13 10.396 -6.657 11.804 1.00 0.00 C ATOM 230 O TRP A 13 10.738 -7.666 12.423 1.00 0.00 O ATOM 231 CB TRP A 13 9.297 -5.532 13.788 1.00 0.00 C ATOM 232 CG TRP A 13 7.955 -5.157 14.364 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.921 -6.007 14.644 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.491 -3.842 14.707 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.840 -5.302 15.115 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.164 -3.973 15.168 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.064 -2.568 14.668 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.400 -2.880 15.577 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.307 -1.484 15.082 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.989 -1.646 15.527 1.00 0.00 C ATOM 0 H TRP A 13 7.610 -7.042 12.797 1.00 0.00 H new ATOM 0 HA TRP A 13 9.263 -4.873 11.741 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.680 -6.413 14.304 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.007 -4.724 13.967 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.950 -7.079 14.514 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.941 -5.704 15.382 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.078 -2.431 14.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.383 -3.003 15.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.741 -0.495 15.061 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.426 -0.778 15.837 1.00 0.00 H new ATOM 251 N VAL A 14 11.018 -6.244 10.692 1.00 0.00 N ATOM 252 CA VAL A 14 12.138 -7.011 10.140 1.00 0.00 C ATOM 253 C VAL A 14 13.105 -6.140 9.346 1.00 0.00 C ATOM 254 O VAL A 14 12.935 -4.927 9.245 1.00 0.00 O ATOM 255 CB VAL A 14 11.618 -8.157 9.242 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.250 -7.642 7.857 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.624 -9.298 9.154 1.00 0.00 C ATOM 0 H VAL A 14 10.772 -5.404 10.169 1.00 0.00 H new ATOM 0 HA VAL A 14 12.684 -7.425 10.988 1.00 0.00 H new ATOM 0 HB VAL A 14 10.714 -8.553 9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.887 -8.469 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.469 -6.886 7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.129 -7.202 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.225 -10.086 8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.559 -8.927 8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.809 -9.698 10.151 1.00 0.00 H new ATOM 267 N ASP A 15 14.123 -6.791 8.799 1.00 0.00 N ATOM 268 CA ASP A 15 15.155 -6.131 8.007 1.00 0.00 C ATOM 269 C ASP A 15 14.941 -6.387 6.515 1.00 0.00 C ATOM 270 O ASP A 15 13.996 -7.075 6.129 1.00 0.00 O ATOM 271 CB ASP A 15 16.523 -6.655 8.436 1.00 0.00 C ATOM 272 CG ASP A 15 17.054 -5.961 9.674 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.471 -6.158 10.760 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.056 -5.225 9.557 1.00 0.00 O ATOM 0 H ASP A 15 14.258 -7.798 8.892 1.00 0.00 H new ATOM 0 HA ASP A 15 15.101 -5.056 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.454 -7.726 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.231 -6.522 7.618 1.00 0.00 H new ATOM 279 N THR A 16 15.826 -5.839 5.678 1.00 0.00 N ATOM 280 CA THR A 16 15.718 -6.019 4.229 1.00 0.00 C ATOM 281 C THR A 16 16.872 -5.349 3.487 1.00 0.00 C ATOM 282 O THR A 16 17.832 -4.880 4.099 1.00 0.00 O ATOM 283 CB THR A 16 14.389 -5.447 3.697 1.00 0.00 C ATOM 284 OG1 THR A 16 14.043 -6.080 2.459 1.00 0.00 O ATOM 285 CG2 THR A 16 14.481 -3.942 3.489 1.00 0.00 C ATOM 0 H THR A 16 16.619 -5.271 5.976 1.00 0.00 H new ATOM 0 HA THR A 16 15.755 -7.093 4.046 1.00 0.00 H new ATOM 0 HB THR A 16 13.617 -5.646 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.197 -5.712 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.529 -3.568 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.713 -3.457 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.267 -3.722 2.767 1.00 0.00 H new ATOM 293 N HIS A 17 16.765 -5.315 2.159 1.00 0.00 N ATOM 294 CA HIS A 17 17.778 -4.690 1.316 1.00 0.00 C ATOM 295 C HIS A 17 17.146 -3.592 0.466 1.00 0.00 C ATOM 296 O HIS A 17 15.927 -3.434 0.458 1.00 0.00 O ATOM 297 CB HIS A 17 18.451 -5.732 0.419 1.00 0.00 C ATOM 298 CG HIS A 17 19.013 -6.898 1.172 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.357 -7.037 1.448 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.407 -7.983 1.709 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.553 -8.158 2.119 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.386 -8.750 2.291 1.00 0.00 N ATOM 0 H HIS A 17 15.981 -5.716 1.644 1.00 0.00 H new ATOM 0 HA HIS A 17 18.539 -4.247 1.959 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.725 -6.096 -0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.253 -5.252 -0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.350 -8.204 1.684 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.506 -8.527 2.468 1.00 0.00 H new ATOM 0 HE2 HIS A 17 19.236 -9.634 2.777 1.00 0.00 H new ATOM 311 N VAL A 18 17.972 -2.839 -0.250 1.00 0.00 N ATOM 312 CA VAL A 18 17.479 -1.746 -1.083 1.00 0.00 C ATOM 313 C VAL A 18 16.651 -2.250 -2.265 1.00 0.00 C ATOM 314 O VAL A 18 16.992 -3.244 -2.907 1.00 0.00 O ATOM 315 CB VAL A 18 18.637 -0.876 -1.613 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.591 -1.708 -2.458 1.00 0.00 C ATOM 317 CG2 VAL A 18 18.101 0.307 -2.406 1.00 0.00 C ATOM 0 H VAL A 18 18.984 -2.964 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 18 16.837 -1.142 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 18 19.192 -0.488 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.401 -1.075 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 18 20.005 -2.514 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.052 -2.131 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.934 0.908 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.518 -0.056 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.467 0.918 -1.764 1.00 0.00 H new ATOM 327 N GLY A 19 15.554 -1.544 -2.533 1.00 0.00 N ATOM 328 CA GLY A 19 14.673 -1.890 -3.636 1.00 0.00 C ATOM 329 C GLY A 19 14.040 -3.258 -3.508 1.00 0.00 C ATOM 330 O GLY A 19 13.463 -3.760 -4.472 1.00 0.00 O ATOM 0 H GLY A 19 15.258 -0.728 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.885 -1.141 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.238 -1.848 -4.567 1.00 0.00 H new ATOM 334 N LYS A 20 14.154 -3.874 -2.335 1.00 0.00 N ATOM 335 CA LYS A 20 13.556 -5.183 -2.111 1.00 0.00 C ATOM 336 C LYS A 20 12.047 -5.104 -2.315 1.00 0.00 C ATOM 337 O LYS A 20 11.287 -4.954 -1.359 1.00 0.00 O ATOM 338 CB LYS A 20 13.872 -5.679 -0.700 1.00 0.00 C ATOM 339 CG LYS A 20 14.053 -7.178 -0.611 1.00 0.00 C ATOM 340 CD LYS A 20 15.457 -7.559 -1.016 1.00 0.00 C ATOM 341 CE LYS A 20 15.810 -8.969 -0.574 1.00 0.00 C ATOM 342 NZ LYS A 20 17.180 -9.360 -1.007 1.00 0.00 N ATOM 0 H LYS A 20 14.651 -3.490 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 20 13.976 -5.889 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.780 -5.190 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.067 -5.378 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.856 -7.516 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.332 -7.678 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.556 -7.482 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.165 -6.854 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.739 -9.038 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.085 -9.671 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.501 -10.176 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.166 -9.615 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.831 -8.562 -0.861 1.00 0.00 H new ATOM 356 N THR A 21 11.625 -5.194 -3.571 1.00 0.00 N ATOM 357 CA THR A 21 10.212 -5.110 -3.915 1.00 0.00 C ATOM 358 C THR A 21 9.399 -6.173 -3.191 1.00 0.00 C ATOM 359 O THR A 21 9.359 -7.331 -3.609 1.00 0.00 O ATOM 360 CB THR A 21 9.989 -5.255 -5.430 1.00 0.00 C ATOM 361 OG1 THR A 21 11.024 -4.571 -6.148 1.00 0.00 O ATOM 362 CG2 THR A 21 8.634 -4.689 -5.828 1.00 0.00 C ATOM 0 H THR A 21 12.245 -5.326 -4.370 1.00 0.00 H new ATOM 0 HA THR A 21 9.875 -4.123 -3.598 1.00 0.00 H new ATOM 0 HB THR A 21 10.015 -6.316 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.792 -4.533 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.495 -4.801 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.846 -5.228 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.589 -3.632 -5.564 1.00 0.00 H new ATOM 370 N THR A 22 8.757 -5.771 -2.103 1.00 0.00 N ATOM 371 CA THR A 22 7.937 -6.684 -1.322 1.00 0.00 C ATOM 372 C THR A 22 6.473 -6.555 -1.713 1.00 0.00 C ATOM 373 O THR A 22 5.787 -5.618 -1.301 1.00 0.00 O ATOM 374 CB THR A 22 8.094 -6.431 0.191 1.00 0.00 C ATOM 375 OG1 THR A 22 9.448 -6.676 0.589 1.00 0.00 O ATOM 376 CG2 THR A 22 7.156 -7.318 0.999 1.00 0.00 C ATOM 0 H THR A 22 8.789 -4.818 -1.742 1.00 0.00 H new ATOM 0 HA THR A 22 8.280 -7.696 -1.538 1.00 0.00 H new ATOM 0 HB THR A 22 7.836 -5.390 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.053 -6.129 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.290 -7.116 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.124 -7.108 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.381 -8.365 0.797 1.00 0.00 H new ATOM 384 N GLU A 23 6.014 -7.495 -2.532 1.00 0.00 N ATOM 385 CA GLU A 23 4.644 -7.517 -2.997 1.00 0.00 C ATOM 386 C GLU A 23 3.734 -8.175 -1.976 1.00 0.00 C ATOM 387 O GLU A 23 4.051 -9.235 -1.437 1.00 0.00 O ATOM 388 CB GLU A 23 4.566 -8.271 -4.316 1.00 0.00 C ATOM 389 CG GLU A 23 3.203 -8.183 -4.970 1.00 0.00 C ATOM 390 CD GLU A 23 3.201 -8.719 -6.389 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.310 -9.951 -6.558 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.094 -7.906 -7.330 1.00 0.00 O ATOM 0 H GLU A 23 6.586 -8.260 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 23 4.311 -6.489 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.317 -7.874 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.813 -9.319 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.481 -8.741 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.874 -7.144 -4.978 1.00 0.00 H new ATOM 399 N ILE A 24 2.601 -7.540 -1.713 1.00 0.00 N ATOM 400 CA ILE A 24 1.648 -8.067 -0.755 1.00 0.00 C ATOM 401 C ILE A 24 0.214 -7.896 -1.225 1.00 0.00 C ATOM 402 O ILE A 24 -0.332 -6.793 -1.207 1.00 0.00 O ATOM 403 CB ILE A 24 1.798 -7.380 0.609 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.250 -7.454 1.083 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.859 -8.014 1.624 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.489 -6.819 2.436 1.00 0.00 C ATOM 0 H ILE A 24 2.322 -6.661 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 24 1.866 -9.131 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 24 1.528 -6.329 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.555 -8.500 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.887 -6.965 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.975 -7.517 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.171 -7.908 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.099 -9.072 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.542 -6.913 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.217 -5.764 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.880 -7.322 3.187 1.00 0.00 H new ATOM 418 N HIS A 25 -0.381 -8.997 -1.660 1.00 0.00 N ATOM 419 CA HIS A 25 -1.763 -8.995 -2.098 1.00 0.00 C ATOM 420 C HIS A 25 -2.665 -9.269 -0.904 1.00 0.00 C ATOM 421 O HIS A 25 -2.640 -10.358 -0.331 1.00 0.00 O ATOM 422 CB HIS A 25 -1.994 -10.058 -3.168 1.00 0.00 C ATOM 423 CG HIS A 25 -0.810 -10.299 -4.052 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.013 -11.397 -3.926 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.318 -9.579 -5.088 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.960 -11.343 -4.844 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.781 -10.251 -5.563 1.00 0.00 N ATOM 0 H HIS A 25 0.077 -9.906 -1.718 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.995 -8.020 -2.526 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.268 -10.994 -2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.841 -9.759 -3.786 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.093 -12.136 -3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.716 -8.650 -5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.747 -12.069 -4.983 1.00 0.00 H new ATOM 436 N LEU A 26 -3.457 -8.278 -0.535 1.00 0.00 N ATOM 437 CA LEU A 26 -4.354 -8.402 0.604 1.00 0.00 C ATOM 438 C LEU A 26 -5.796 -8.472 0.133 1.00 0.00 C ATOM 439 O LEU A 26 -6.157 -7.861 -0.867 1.00 0.00 O ATOM 440 CB LEU A 26 -4.176 -7.212 1.544 1.00 0.00 C ATOM 441 CG LEU A 26 -2.735 -6.917 1.966 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.620 -5.497 2.501 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.265 -7.915 3.013 1.00 0.00 C ATOM 0 H LEU A 26 -3.498 -7.375 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.111 -9.320 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.584 -6.324 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.770 -7.387 2.441 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.095 -7.014 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.589 -5.302 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.914 -4.791 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.274 -5.380 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.238 -7.686 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.908 -7.852 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.311 -8.923 2.601 1.00 0.00 H new ATOM 455 N LYS A 27 -6.622 -9.208 0.858 1.00 0.00 N ATOM 456 CA LYS A 27 -8.024 -9.343 0.494 1.00 0.00 C ATOM 457 C LYS A 27 -8.890 -8.431 1.350 1.00 0.00 C ATOM 458 O LYS A 27 -8.471 -7.979 2.416 1.00 0.00 O ATOM 459 CB LYS A 27 -8.484 -10.792 0.635 1.00 0.00 C ATOM 460 CG LYS A 27 -7.482 -11.799 0.094 1.00 0.00 C ATOM 461 CD LYS A 27 -8.055 -13.207 0.084 1.00 0.00 C ATOM 462 CE LYS A 27 -7.054 -14.212 -0.461 1.00 0.00 C ATOM 463 NZ LYS A 27 -5.805 -14.248 0.347 1.00 0.00 N ATOM 0 H LYS A 27 -6.349 -9.719 1.698 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.131 -9.047 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.670 -11.005 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.432 -10.917 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.191 -11.516 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.578 -11.777 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.343 -13.491 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.960 -13.228 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.506 -15.204 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.811 -13.959 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.246 -15.085 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.248 -13.389 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.046 -14.295 1.357 1.00 0.00 H new ATOM 477 N GLY A 28 -10.099 -8.169 0.877 1.00 0.00 N ATOM 478 CA GLY A 28 -11.007 -7.301 1.600 1.00 0.00 C ATOM 479 C GLY A 28 -12.211 -6.901 0.769 1.00 0.00 C ATOM 480 O GLY A 28 -12.592 -7.610 -0.162 1.00 0.00 O ATOM 0 H GLY A 28 -10.469 -8.543 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.345 -7.807 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.474 -6.405 1.916 1.00 0.00 H new ATOM 484 N ASN A 29 -12.809 -5.761 1.106 1.00 0.00 N ATOM 485 CA ASN A 29 -13.976 -5.265 0.383 1.00 0.00 C ATOM 486 C ASN A 29 -14.336 -3.850 0.850 1.00 0.00 C ATOM 487 O ASN A 29 -14.645 -3.641 2.023 1.00 0.00 O ATOM 488 CB ASN A 29 -15.165 -6.204 0.590 1.00 0.00 C ATOM 489 CG ASN A 29 -16.179 -6.107 -0.532 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.124 -6.864 -1.500 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.108 -5.169 -0.410 1.00 0.00 N ATOM 0 H ASN A 29 -12.505 -5.164 1.875 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.734 -5.230 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.806 -7.230 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.651 -5.968 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.815 -5.054 -1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.116 -4.563 0.410 1.00 0.00 H new ATOM 498 N PRO A 30 -14.301 -2.858 -0.063 1.00 0.00 N ATOM 499 CA PRO A 30 -14.612 -1.462 0.276 1.00 0.00 C ATOM 500 C PRO A 30 -16.077 -1.238 0.655 1.00 0.00 C ATOM 501 O PRO A 30 -16.380 -0.873 1.791 1.00 0.00 O ATOM 502 CB PRO A 30 -14.272 -0.693 -1.004 1.00 0.00 C ATOM 503 CG PRO A 30 -14.348 -1.702 -2.097 1.00 0.00 C ATOM 504 CD PRO A 30 -13.944 -3.014 -1.487 1.00 0.00 C ATOM 0 HA PRO A 30 -14.051 -1.139 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.975 0.123 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.278 -0.250 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.357 -1.757 -2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.685 -1.435 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.474 -3.849 -1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.878 -3.205 -1.615 1.00 0.00 H new ATOM 512 N THR A 31 -16.979 -1.453 -0.299 1.00 0.00 N ATOM 513 CA THR A 31 -18.407 -1.252 -0.068 1.00 0.00 C ATOM 514 C THR A 31 -18.905 -2.017 1.155 1.00 0.00 C ATOM 515 O THR A 31 -19.924 -1.660 1.745 1.00 0.00 O ATOM 516 CB THR A 31 -19.241 -1.666 -1.293 1.00 0.00 C ATOM 517 OG1 THR A 31 -20.639 -1.532 -1.005 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.936 -3.097 -1.690 1.00 0.00 C ATOM 0 H THR A 31 -16.746 -1.767 -1.241 1.00 0.00 H new ATOM 0 HA THR A 31 -18.536 -0.185 0.112 1.00 0.00 H new ATOM 0 HB THR A 31 -18.979 -1.010 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 31 -21.162 -1.796 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.536 -3.370 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.878 -3.189 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 31 -19.174 -3.763 -0.861 1.00 0.00 H new ATOM 526 N THR A 32 -18.185 -3.067 1.536 1.00 0.00 N ATOM 527 CA THR A 32 -18.567 -3.869 2.693 1.00 0.00 C ATOM 528 C THR A 32 -18.009 -3.277 3.983 1.00 0.00 C ATOM 529 O THR A 32 -18.759 -2.787 4.827 1.00 0.00 O ATOM 530 CB THR A 32 -18.083 -5.326 2.559 1.00 0.00 C ATOM 531 OG1 THR A 32 -18.777 -5.976 1.487 1.00 0.00 O ATOM 532 CG2 THR A 32 -18.306 -6.098 3.853 1.00 0.00 C ATOM 0 H THR A 32 -17.338 -3.382 1.063 1.00 0.00 H new ATOM 0 HA THR A 32 -19.656 -3.860 2.733 1.00 0.00 H new ATOM 0 HB THR A 32 -17.014 -5.309 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.463 -6.901 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.956 -7.123 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.753 -5.620 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.369 -6.104 4.094 1.00 0.00 H new ATOM 540 N GLY A 33 -16.689 -3.324 4.128 1.00 0.00 N ATOM 541 CA GLY A 33 -16.056 -2.795 5.321 1.00 0.00 C ATOM 542 C GLY A 33 -15.278 -1.521 5.061 1.00 0.00 C ATOM 543 O GLY A 33 -15.847 -0.505 4.662 1.00 0.00 O ATOM 0 H GLY A 33 -16.047 -3.719 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.819 -2.601 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.384 -3.547 5.733 1.00 0.00 H new ATOM 547 N TYR A 34 -13.969 -1.579 5.290 1.00 0.00 N ATOM 548 CA TYR A 34 -13.102 -0.424 5.094 1.00 0.00 C ATOM 549 C TYR A 34 -12.159 -0.636 3.910 1.00 0.00 C ATOM 550 O TYR A 34 -12.295 -1.601 3.158 1.00 0.00 O ATOM 551 CB TYR A 34 -12.285 -0.152 6.366 1.00 0.00 C ATOM 552 CG TYR A 34 -13.124 0.179 7.586 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.093 -0.704 8.051 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.944 1.374 8.275 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.858 -0.406 9.163 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.705 1.678 9.388 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.659 0.785 9.827 1.00 0.00 C ATOM 558 OH TYR A 34 -15.419 1.085 10.935 1.00 0.00 O ATOM 0 H TYR A 34 -13.485 -2.417 5.613 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.735 0.437 4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.674 -1.028 6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.601 0.674 6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.250 -1.639 7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.197 2.076 7.935 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.607 -1.102 9.509 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.553 2.611 9.911 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.154 1.960 11.287 1.00 0.00 H new ATOM 568 N MET A 35 -11.209 0.280 3.754 1.00 0.00 N ATOM 569 CA MET A 35 -10.232 0.213 2.684 1.00 0.00 C ATOM 570 C MET A 35 -8.862 -0.135 3.242 1.00 0.00 C ATOM 571 O MET A 35 -8.548 0.180 4.388 1.00 0.00 O ATOM 572 CB MET A 35 -10.169 1.555 1.953 1.00 0.00 C ATOM 573 CG MET A 35 -8.843 1.825 1.263 1.00 0.00 C ATOM 574 SD MET A 35 -8.881 3.344 0.290 1.00 0.00 S ATOM 575 CE MET A 35 -7.327 3.247 -0.593 1.00 0.00 C ATOM 0 H MET A 35 -11.098 1.087 4.367 1.00 0.00 H new ATOM 0 HA MET A 35 -10.533 -0.565 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.966 1.590 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.364 2.355 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 35 -8.053 1.894 2.011 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.595 0.985 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.620 3.956 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.924 2.238 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.490 3.488 -1.644 1.00 0.00 H new ATOM 585 N TRP A 36 -8.053 -0.781 2.421 1.00 0.00 N ATOM 586 CA TRP A 36 -6.712 -1.162 2.823 1.00 0.00 C ATOM 587 C TRP A 36 -5.675 -0.329 2.086 1.00 0.00 C ATOM 588 O TRP A 36 -5.395 -0.566 0.911 1.00 0.00 O ATOM 589 CB TRP A 36 -6.474 -2.639 2.545 1.00 0.00 C ATOM 590 CG TRP A 36 -6.594 -3.507 3.758 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.491 -4.517 3.960 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.789 -3.442 4.937 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.296 -5.079 5.198 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.256 -4.437 5.816 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.720 -2.639 5.335 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.690 -4.648 7.068 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.158 -2.849 6.577 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.643 -3.847 7.431 1.00 0.00 C ATOM 0 H TRP A 36 -8.303 -1.053 1.470 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.615 -0.980 3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.188 -2.978 1.795 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.479 -2.763 2.117 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.243 -4.828 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.837 -5.848 5.592 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.339 -1.867 4.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.063 -5.416 7.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.330 -2.233 6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.180 -3.987 8.397 1.00 0.00 H new ATOM 609 N THR A 37 -5.110 0.649 2.780 1.00 0.00 N ATOM 610 CA THR A 37 -4.105 1.516 2.185 1.00 0.00 C ATOM 611 C THR A 37 -3.076 1.947 3.235 1.00 0.00 C ATOM 612 O THR A 37 -3.115 1.477 4.373 1.00 0.00 O ATOM 613 CB THR A 37 -4.757 2.752 1.545 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.780 3.507 0.818 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.395 3.628 2.606 1.00 0.00 C ATOM 0 H THR A 37 -5.330 0.861 3.753 1.00 0.00 H new ATOM 0 HA THR A 37 -3.594 0.952 1.404 1.00 0.00 H new ATOM 0 HB THR A 37 -5.532 2.413 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.207 4.291 0.413 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.851 4.498 2.134 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.160 3.060 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.633 3.957 3.313 1.00 0.00 H new ATOM 623 N ARG A 38 -2.163 2.842 2.862 1.00 0.00 N ATOM 624 CA ARG A 38 -1.122 3.302 3.781 1.00 0.00 C ATOM 625 C ARG A 38 -1.675 4.318 4.779 1.00 0.00 C ATOM 626 O ARG A 38 -2.457 5.197 4.417 1.00 0.00 O ATOM 627 CB ARG A 38 0.041 3.902 2.987 1.00 0.00 C ATOM 628 CG ARG A 38 1.335 3.129 3.103 1.00 0.00 C ATOM 629 CD ARG A 38 2.041 3.054 1.762 1.00 0.00 C ATOM 630 NE ARG A 38 1.302 2.239 0.804 1.00 0.00 N ATOM 631 CZ ARG A 38 1.039 0.947 0.979 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.506 0.309 2.042 1.00 0.00 N ATOM 633 NH2 ARG A 38 0.320 0.289 0.084 1.00 0.00 N ATOM 0 H ARG A 38 -2.122 3.262 1.933 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.760 2.446 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.242 3.959 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.210 4.924 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.985 3.608 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.131 2.122 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.168 4.060 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.039 2.638 1.900 1.00 0.00 H new ATOM 0 HE ARG A 38 0.968 2.686 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.069 0.809 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.302 -0.682 2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.033 0.773 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.119 -0.702 0.220 1.00 0.00 H new ATOM 647 N VAL A 39 -1.261 4.185 6.040 1.00 0.00 N ATOM 648 CA VAL A 39 -1.713 5.081 7.101 1.00 0.00 C ATOM 649 C VAL A 39 -1.468 6.543 6.743 1.00 0.00 C ATOM 650 O VAL A 39 -0.393 6.904 6.265 1.00 0.00 O ATOM 651 CB VAL A 39 -1.012 4.769 8.441 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.427 5.770 9.511 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.315 3.349 8.892 1.00 0.00 C ATOM 0 H VAL A 39 -0.611 3.462 6.350 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.785 4.915 7.209 1.00 0.00 H new ATOM 0 HB VAL A 39 0.064 4.856 8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.922 5.532 10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.151 6.776 9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.506 5.719 9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.810 3.152 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.391 3.231 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.961 2.645 8.139 1.00 0.00 H new ATOM 663 N GLY A 40 -2.475 7.379 6.982 1.00 0.00 N ATOM 664 CA GLY A 40 -2.357 8.795 6.683 1.00 0.00 C ATOM 665 C GLY A 40 -2.506 9.092 5.204 1.00 0.00 C ATOM 666 O GLY A 40 -3.037 10.135 4.824 1.00 0.00 O ATOM 0 H GLY A 40 -3.372 7.100 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.117 9.345 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.387 9.156 7.027 1.00 0.00 H new ATOM 670 N PHE A 41 -2.040 8.168 4.371 1.00 0.00 N ATOM 671 CA PHE A 41 -2.116 8.328 2.924 1.00 0.00 C ATOM 672 C PHE A 41 -3.440 7.804 2.396 1.00 0.00 C ATOM 673 O PHE A 41 -3.556 7.424 1.231 1.00 0.00 O ATOM 674 CB PHE A 41 -0.949 7.595 2.265 1.00 0.00 C ATOM 675 CG PHE A 41 0.389 7.990 2.830 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.595 9.270 3.323 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.436 7.085 2.871 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.821 9.639 3.844 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.664 7.448 3.391 1.00 0.00 C ATOM 680 CZ PHE A 41 2.857 8.726 3.879 1.00 0.00 C ATOM 0 H PHE A 41 -1.604 7.297 4.675 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.053 9.389 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.086 6.521 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.959 7.797 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.212 9.987 3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.291 6.084 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.969 10.639 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.473 6.733 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.816 9.011 4.287 1.00 0.00 H new ATOM 690 N VAL A 42 -4.438 7.800 3.267 1.00 0.00 N ATOM 691 CA VAL A 42 -5.767 7.326 2.911 1.00 0.00 C ATOM 692 C VAL A 42 -6.538 8.391 2.140 1.00 0.00 C ATOM 693 O VAL A 42 -6.974 9.392 2.708 1.00 0.00 O ATOM 694 CB VAL A 42 -6.563 6.924 4.164 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.881 6.278 3.768 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.731 6.001 5.040 1.00 0.00 C ATOM 0 H VAL A 42 -4.351 8.122 4.231 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.640 6.450 2.275 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.793 7.818 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.433 5.999 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.471 6.984 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.685 5.387 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.305 5.723 5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.471 5.103 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.819 6.514 5.346 1.00 0.00 H new ATOM 706 N GLY A 43 -6.698 8.166 0.841 1.00 0.00 N ATOM 707 CA GLY A 43 -7.409 9.113 0.004 1.00 0.00 C ATOM 708 C GLY A 43 -6.487 9.824 -0.967 1.00 0.00 C ATOM 709 O GLY A 43 -6.936 10.377 -1.971 1.00 0.00 O ATOM 0 H GLY A 43 -6.347 7.343 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.187 8.591 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.908 9.849 0.634 1.00 0.00 H new ATOM 713 N LYS A 44 -5.193 9.810 -0.662 1.00 0.00 N ATOM 714 CA LYS A 44 -4.198 10.452 -1.507 1.00 0.00 C ATOM 715 C LYS A 44 -4.096 9.758 -2.860 1.00 0.00 C ATOM 716 O LYS A 44 -4.663 8.685 -3.066 1.00 0.00 O ATOM 717 CB LYS A 44 -2.835 10.434 -0.817 1.00 0.00 C ATOM 718 CG LYS A 44 -2.768 11.306 0.426 1.00 0.00 C ATOM 719 CD LYS A 44 -1.346 11.420 0.950 1.00 0.00 C ATOM 720 CE LYS A 44 -1.240 12.457 2.056 1.00 0.00 C ATOM 721 NZ LYS A 44 -2.096 12.115 3.225 1.00 0.00 N ATOM 0 H LYS A 44 -4.810 9.358 0.168 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.510 11.483 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.589 9.408 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.075 10.766 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.153 12.299 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.410 10.887 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.017 10.451 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.677 11.689 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.202 12.538 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.531 13.433 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.968 12.830 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.093 12.096 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.825 11.180 3.592 1.00 0.00 H new ATOM 735 N ASP A 45 -3.368 10.384 -3.776 1.00 0.00 N ATOM 736 CA ASP A 45 -3.172 9.835 -5.107 1.00 0.00 C ATOM 737 C ASP A 45 -2.024 8.837 -5.099 1.00 0.00 C ATOM 738 O ASP A 45 -1.948 7.944 -5.944 1.00 0.00 O ATOM 739 CB ASP A 45 -2.880 10.960 -6.095 1.00 0.00 C ATOM 740 CG ASP A 45 -4.142 11.554 -6.690 1.00 0.00 C ATOM 741 OD1 ASP A 45 -4.680 12.516 -6.102 1.00 0.00 O ATOM 742 OD2 ASP A 45 -4.593 11.058 -7.743 1.00 0.00 O ATOM 0 H ASP A 45 -2.902 11.277 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.082 9.320 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.316 11.745 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.248 10.579 -6.898 1.00 0.00 H new ATOM 747 N VAL A 46 -1.132 9.001 -4.130 1.00 0.00 N ATOM 748 CA VAL A 46 0.021 8.127 -3.984 1.00 0.00 C ATOM 749 C VAL A 46 0.326 7.883 -2.514 1.00 0.00 C ATOM 750 O VAL A 46 0.262 8.797 -1.691 1.00 0.00 O ATOM 751 CB VAL A 46 1.265 8.720 -4.673 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.743 9.963 -3.942 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.373 7.682 -4.765 1.00 0.00 C ATOM 0 H VAL A 46 -1.188 9.739 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.226 7.180 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 46 0.990 9.011 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.622 10.366 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.951 10.712 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.999 9.705 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.243 8.120 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.648 7.354 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.023 6.827 -5.344 1.00 0.00 H new ATOM 763 N LEU A 47 0.646 6.641 -2.191 1.00 0.00 N ATOM 764 CA LEU A 47 0.961 6.266 -0.824 1.00 0.00 C ATOM 765 C LEU A 47 2.453 6.456 -0.570 1.00 0.00 C ATOM 766 O LEU A 47 2.854 7.130 0.377 1.00 0.00 O ATOM 767 CB LEU A 47 0.538 4.822 -0.573 1.00 0.00 C ATOM 768 CG LEU A 47 -0.665 4.354 -1.400 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.966 2.888 -1.139 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.891 5.207 -1.099 1.00 0.00 C ATOM 0 H LEU A 47 0.694 5.873 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 47 0.412 6.905 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.384 4.168 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.302 4.705 0.485 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.412 4.470 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.824 2.580 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.099 2.285 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.191 2.745 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.733 4.858 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.139 5.127 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.679 6.248 -1.344 1.00 0.00 H new ATOM 782 N SER A 48 3.266 5.852 -1.430 1.00 0.00 N ATOM 783 CA SER A 48 4.723 5.971 -1.341 1.00 0.00 C ATOM 784 C SER A 48 5.151 7.437 -1.245 1.00 0.00 C ATOM 785 O SER A 48 4.319 8.343 -1.320 1.00 0.00 O ATOM 786 CB SER A 48 5.373 5.332 -2.568 1.00 0.00 C ATOM 787 OG SER A 48 6.785 5.444 -2.517 1.00 0.00 O ATOM 0 H SER A 48 2.941 5.271 -2.203 1.00 0.00 H new ATOM 0 HA SER A 48 5.050 5.454 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.091 4.281 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.000 5.813 -3.472 1.00 0.00 H new ATOM 0 HG SER A 48 7.094 5.270 -1.603 1.00 0.00 H new ATOM 793 N ASP A 49 6.456 7.670 -1.098 1.00 0.00 N ATOM 794 CA ASP A 49 6.976 9.032 -0.990 1.00 0.00 C ATOM 795 C ASP A 49 8.427 9.122 -1.455 1.00 0.00 C ATOM 796 O ASP A 49 8.699 9.262 -2.648 1.00 0.00 O ATOM 797 CB ASP A 49 6.865 9.540 0.449 1.00 0.00 C ATOM 798 CG ASP A 49 5.437 9.845 0.852 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.992 10.993 0.641 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.761 8.936 1.380 1.00 0.00 O ATOM 0 H ASP A 49 7.166 6.939 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 49 6.369 9.660 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.278 8.793 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.470 10.440 0.560 1.00 0.00 H new ATOM 805 N GLU A 50 9.353 9.043 -0.504 1.00 0.00 N ATOM 806 CA GLU A 50 10.775 9.132 -0.806 1.00 0.00 C ATOM 807 C GLU A 50 11.553 8.012 -0.123 1.00 0.00 C ATOM 808 O GLU A 50 12.566 7.540 -0.638 1.00 0.00 O ATOM 809 CB GLU A 50 11.302 10.487 -0.345 1.00 0.00 C ATOM 810 CG GLU A 50 11.302 10.656 1.167 1.00 0.00 C ATOM 811 CD GLU A 50 11.856 11.998 1.604 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.063 12.956 1.726 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.081 12.092 1.824 1.00 0.00 O ATOM 0 H GLU A 50 9.141 8.917 0.486 1.00 0.00 H new ATOM 0 HA GLU A 50 10.911 9.027 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.318 10.619 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.695 11.275 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.284 10.548 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.893 9.859 1.618 1.00 0.00 H new ATOM 820 N ILE A 51 11.073 7.599 1.044 1.00 0.00 N ATOM 821 CA ILE A 51 11.715 6.541 1.810 1.00 0.00 C ATOM 822 C ILE A 51 11.504 5.187 1.151 1.00 0.00 C ATOM 823 O ILE A 51 12.437 4.590 0.618 1.00 0.00 O ATOM 824 CB ILE A 51 11.154 6.488 3.239 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.148 7.885 3.855 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.955 5.519 4.097 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.531 8.434 4.136 1.00 0.00 C ATOM 0 H ILE A 51 10.236 7.984 1.481 1.00 0.00 H new ATOM 0 HA ILE A 51 12.781 6.764 1.843 1.00 0.00 H new ATOM 0 HB ILE A 51 10.127 6.126 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.626 8.566 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.581 7.859 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.540 5.497 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.905 4.521 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.995 5.844 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.446 9.429 4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.049 7.775 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.095 8.493 3.205 1.00 0.00 H new ATOM 839 N LEU A 52 10.273 4.704 1.215 1.00 0.00 N ATOM 840 CA LEU A 52 9.920 3.424 0.616 1.00 0.00 C ATOM 841 C LEU A 52 9.112 3.617 -0.662 1.00 0.00 C ATOM 842 O LEU A 52 8.017 4.169 -0.624 1.00 0.00 O ATOM 843 CB LEU A 52 9.103 2.582 1.600 1.00 0.00 C ATOM 844 CG LEU A 52 9.921 1.766 2.600 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.040 1.287 3.743 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.585 0.587 1.909 1.00 0.00 C ATOM 0 H LEU A 52 9.498 5.180 1.677 1.00 0.00 H new ATOM 0 HA LEU A 52 10.849 2.909 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.439 3.245 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.471 1.900 1.031 1.00 0.00 H new ATOM 0 HG LEU A 52 10.701 2.407 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.639 0.708 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.610 2.147 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.239 0.662 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.163 0.017 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.821 -0.055 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.248 0.951 1.124 1.00 0.00 H new ATOM 858 N GLU A 53 9.670 3.187 -1.793 1.00 0.00 N ATOM 859 CA GLU A 53 8.966 3.274 -3.065 1.00 0.00 C ATOM 860 C GLU A 53 7.789 2.312 -3.053 1.00 0.00 C ATOM 861 O GLU A 53 7.817 1.267 -3.704 1.00 0.00 O ATOM 862 CB GLU A 53 9.905 2.936 -4.221 1.00 0.00 C ATOM 863 CG GLU A 53 10.319 4.142 -5.035 1.00 0.00 C ATOM 864 CD GLU A 53 9.517 4.290 -6.313 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.463 4.959 -6.279 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.944 3.738 -7.349 1.00 0.00 O ATOM 0 H GLU A 53 10.602 2.778 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 53 8.605 4.293 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.797 2.452 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.416 2.215 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.200 5.041 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.377 4.062 -5.283 1.00 0.00 H new ATOM 873 N VAL A 54 6.761 2.669 -2.299 1.00 0.00 N ATOM 874 CA VAL A 54 5.587 1.828 -2.167 1.00 0.00 C ATOM 875 C VAL A 54 4.688 1.898 -3.388 1.00 0.00 C ATOM 876 O VAL A 54 3.728 2.669 -3.424 1.00 0.00 O ATOM 877 CB VAL A 54 4.756 2.200 -0.932 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.790 1.078 -0.608 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.650 2.515 0.256 1.00 0.00 C ATOM 0 H VAL A 54 6.718 3.539 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 54 5.967 0.812 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 54 4.184 3.101 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.202 1.346 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.124 0.915 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.349 0.164 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.033 2.775 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.258 1.642 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.301 3.354 0.009 1.00 0.00 H new ATOM 889 N VAL A 55 5.006 1.098 -4.392 1.00 0.00 N ATOM 890 CA VAL A 55 4.200 1.044 -5.592 1.00 0.00 C ATOM 891 C VAL A 55 3.008 0.139 -5.349 1.00 0.00 C ATOM 892 O VAL A 55 3.020 -1.044 -5.691 1.00 0.00 O ATOM 893 CB VAL A 55 4.985 0.520 -6.795 1.00 0.00 C ATOM 894 CG1 VAL A 55 4.135 0.608 -8.052 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.290 1.286 -6.960 1.00 0.00 C ATOM 0 H VAL A 55 5.817 0.479 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 55 3.880 2.060 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 55 5.234 -0.527 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.704 0.232 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.234 0.008 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.857 1.647 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.833 0.898 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.074 2.343 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.898 1.166 -6.063 1.00 0.00 H new ATOM 905 N CYS A 56 1.991 0.708 -4.740 1.00 0.00 N ATOM 906 CA CYS A 56 0.786 -0.031 -4.410 1.00 0.00 C ATOM 907 C CYS A 56 -0.379 0.389 -5.286 1.00 0.00 C ATOM 908 O CYS A 56 -0.480 1.544 -5.701 1.00 0.00 O ATOM 909 CB CYS A 56 0.426 0.177 -2.942 1.00 0.00 C ATOM 910 SG CYS A 56 -1.223 -0.413 -2.493 1.00 0.00 S ATOM 0 H CYS A 56 1.972 1.689 -4.460 1.00 0.00 H new ATOM 0 HA CYS A 56 0.985 -1.087 -4.590 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.163 -0.334 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.495 1.240 -2.709 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.410 -1.600 -2.990 1.00 0.00 H new ATOM 916 N LYS A 57 -1.255 -0.563 -5.561 1.00 0.00 N ATOM 917 CA LYS A 57 -2.425 -0.307 -6.376 1.00 0.00 C ATOM 918 C LYS A 57 -3.639 -1.013 -5.794 1.00 0.00 C ATOM 919 O LYS A 57 -3.618 -2.225 -5.551 1.00 0.00 O ATOM 920 CB LYS A 57 -2.191 -0.771 -7.812 1.00 0.00 C ATOM 921 CG LYS A 57 -0.986 -0.118 -8.472 1.00 0.00 C ATOM 922 CD LYS A 57 -0.657 -0.764 -9.809 1.00 0.00 C ATOM 923 CE LYS A 57 -0.075 -2.156 -9.628 1.00 0.00 C ATOM 924 NZ LYS A 57 1.164 -2.137 -8.802 1.00 0.00 N ATOM 0 H LYS A 57 -1.175 -1.524 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.609 0.767 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.057 -1.853 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.080 -0.556 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.183 0.944 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.123 -0.193 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.559 -0.822 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.053 -0.139 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.816 -2.801 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.146 -2.587 -10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.717 -2.998 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.732 -1.301 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.909 -2.099 -7.794 1.00 0.00 H new ATOM 938 N TYR A 58 -4.685 -0.239 -5.554 1.00 0.00 N ATOM 939 CA TYR A 58 -5.922 -0.775 -5.014 1.00 0.00 C ATOM 940 C TYR A 58 -6.732 -1.390 -6.150 1.00 0.00 C ATOM 941 O TYR A 58 -7.438 -0.688 -6.875 1.00 0.00 O ATOM 942 CB TYR A 58 -6.719 0.334 -4.306 1.00 0.00 C ATOM 943 CG TYR A 58 -7.947 -0.145 -3.560 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.896 -0.959 -4.177 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.163 0.228 -2.237 1.00 0.00 C ATOM 946 CE1 TYR A 58 -10.020 -1.386 -3.505 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.289 -0.198 -1.558 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.214 -1.002 -2.196 1.00 0.00 C ATOM 949 OH TYR A 58 -11.332 -1.425 -1.518 1.00 0.00 O ATOM 0 H TYR A 58 -4.701 0.766 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.700 -1.546 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.060 0.844 -3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.026 1.072 -5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.747 -1.261 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.443 0.857 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.743 -2.017 -4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.445 0.097 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.317 -1.067 -0.606 1.00 0.00 H new ATOM 959 N THR A 59 -6.616 -2.704 -6.305 1.00 0.00 N ATOM 960 CA THR A 59 -7.326 -3.415 -7.360 1.00 0.00 C ATOM 961 C THR A 59 -8.693 -3.893 -6.887 1.00 0.00 C ATOM 962 O THR A 59 -8.788 -4.713 -5.979 1.00 0.00 O ATOM 963 CB THR A 59 -6.522 -4.634 -7.848 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.185 -4.241 -8.180 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.184 -5.268 -9.063 1.00 0.00 C ATOM 0 H THR A 59 -6.036 -3.298 -5.713 1.00 0.00 H new ATOM 0 HA THR A 59 -7.454 -2.709 -8.181 1.00 0.00 H new ATOM 0 HB THR A 59 -6.495 -5.368 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.681 -5.023 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.598 -6.127 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.190 -5.594 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.238 -4.538 -9.870 1.00 0.00 H new ATOM 973 N PRO A 60 -9.773 -3.377 -7.492 1.00 0.00 N ATOM 974 CA PRO A 60 -11.127 -3.753 -7.152 1.00 0.00 C ATOM 975 C PRO A 60 -11.685 -4.786 -8.128 1.00 0.00 C ATOM 976 O PRO A 60 -10.927 -5.459 -8.827 1.00 0.00 O ATOM 977 CB PRO A 60 -11.850 -2.418 -7.290 1.00 0.00 C ATOM 978 CG PRO A 60 -11.119 -1.687 -8.375 1.00 0.00 C ATOM 979 CD PRO A 60 -9.778 -2.356 -8.545 1.00 0.00 C ATOM 0 HA PRO A 60 -11.225 -4.219 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.899 -2.563 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.828 -1.859 -6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.684 -1.718 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.993 -0.636 -8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.672 -2.799 -9.535 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.958 -1.649 -8.423 1.00 0.00 H new ATOM 987 N THR A 61 -13.006 -4.912 -8.175 1.00 0.00 N ATOM 988 CA THR A 61 -13.646 -5.865 -9.074 1.00 0.00 C ATOM 989 C THR A 61 -14.044 -5.192 -10.388 1.00 0.00 C ATOM 990 O THR A 61 -14.490 -4.045 -10.393 1.00 0.00 O ATOM 991 CB THR A 61 -14.898 -6.494 -8.434 1.00 0.00 C ATOM 992 OG1 THR A 61 -14.807 -6.419 -7.007 1.00 0.00 O ATOM 993 CG2 THR A 61 -15.057 -7.947 -8.854 1.00 0.00 C ATOM 0 H THR A 61 -13.653 -4.369 -7.604 1.00 0.00 H new ATOM 0 HA THR A 61 -12.918 -6.652 -9.272 1.00 0.00 H new ATOM 0 HB THR A 61 -15.769 -5.936 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.306 -7.191 -6.670 1.00 0.00 H new ATOM 0 HG21 THR A 61 -15.949 -8.365 -8.387 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.154 -8.004 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.182 -8.515 -8.538 1.00 0.00 H new ATOM 1001 N PRO A 62 -13.886 -5.897 -11.524 1.00 0.00 N ATOM 1002 CA PRO A 62 -14.232 -5.358 -12.844 1.00 0.00 C ATOM 1003 C PRO A 62 -15.707 -4.988 -12.948 1.00 0.00 C ATOM 1004 O PRO A 62 -16.583 -5.835 -12.773 1.00 0.00 O ATOM 1005 CB PRO A 62 -13.901 -6.504 -13.807 1.00 0.00 C ATOM 1006 CG PRO A 62 -12.965 -7.387 -13.055 1.00 0.00 C ATOM 1007 CD PRO A 62 -13.360 -7.268 -11.613 1.00 0.00 C ATOM 0 HA PRO A 62 -13.688 -4.438 -13.058 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.801 -7.044 -14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.441 -6.130 -14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.041 -8.419 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.931 -7.077 -13.204 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.113 -8.007 -11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.509 -7.417 -10.948 1.00 0.00 H new ATOM 1015 N SER A 63 -15.974 -3.717 -13.232 1.00 0.00 N ATOM 1016 CA SER A 63 -17.344 -3.233 -13.360 1.00 0.00 C ATOM 1017 C SER A 63 -17.817 -3.313 -14.808 1.00 0.00 C ATOM 1018 O SER A 63 -17.013 -3.254 -15.738 1.00 0.00 O ATOM 1019 CB SER A 63 -17.444 -1.792 -12.857 1.00 0.00 C ATOM 1020 OG SER A 63 -17.091 -1.703 -11.487 1.00 0.00 O ATOM 0 H SER A 63 -15.260 -3.004 -13.378 1.00 0.00 H new ATOM 0 HA SER A 63 -17.987 -3.869 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.788 -1.152 -13.447 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.460 -1.424 -12.998 1.00 0.00 H new ATOM 0 HG SER A 63 -17.006 -0.761 -11.232 1.00 0.00 H new ATOM 1026 N SER A 64 -19.127 -3.450 -14.991 1.00 0.00 N ATOM 1027 CA SER A 64 -19.708 -3.538 -16.324 1.00 0.00 C ATOM 1028 C SER A 64 -20.096 -2.156 -16.842 1.00 0.00 C ATOM 1029 O SER A 64 -20.098 -1.912 -18.048 1.00 0.00 O ATOM 1030 CB SER A 64 -20.935 -4.453 -16.311 1.00 0.00 C ATOM 1031 OG SER A 64 -20.590 -5.762 -15.894 1.00 0.00 O ATOM 0 H SER A 64 -19.806 -3.502 -14.231 1.00 0.00 H new ATOM 0 HA SER A 64 -18.957 -3.959 -16.992 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.692 -4.042 -15.642 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.376 -4.490 -17.307 1.00 0.00 H new ATOM 0 HG SER A 64 -21.391 -6.327 -15.892 1.00 0.00 H new ATOM 1037 N THR A 65 -20.424 -1.256 -15.919 1.00 0.00 N ATOM 1038 CA THR A 65 -20.815 0.104 -16.281 1.00 0.00 C ATOM 1039 C THR A 65 -20.598 1.084 -15.124 1.00 0.00 C ATOM 1040 O THR A 65 -19.988 2.138 -15.310 1.00 0.00 O ATOM 1041 CB THR A 65 -22.286 0.172 -16.743 1.00 0.00 C ATOM 1042 OG1 THR A 65 -22.498 -0.725 -17.839 1.00 0.00 O ATOM 1043 CG2 THR A 65 -22.657 1.586 -17.165 1.00 0.00 C ATOM 0 H THR A 65 -20.427 -1.443 -14.916 1.00 0.00 H new ATOM 0 HA THR A 65 -20.173 0.396 -17.112 1.00 0.00 H new ATOM 0 HB THR A 65 -22.919 -0.120 -15.905 1.00 0.00 H new ATOM 0 HG1 THR A 65 -21.636 -0.958 -18.243 1.00 0.00 H new ATOM 0 HG21 THR A 65 -23.698 1.608 -17.486 1.00 0.00 H new ATOM 0 HG22 THR A 65 -22.523 2.264 -16.322 1.00 0.00 H new ATOM 0 HG23 THR A 65 -22.016 1.900 -17.989 1.00 0.00 H new ATOM 1051 N PRO A 66 -21.092 0.757 -13.913 1.00 0.00 N ATOM 1052 CA PRO A 66 -20.949 1.620 -12.738 1.00 0.00 C ATOM 1053 C PRO A 66 -19.527 1.615 -12.188 1.00 0.00 C ATOM 1054 O PRO A 66 -18.593 1.176 -12.860 1.00 0.00 O ATOM 1055 CB PRO A 66 -21.921 1.010 -11.712 1.00 0.00 C ATOM 1056 CG PRO A 66 -22.714 -0.010 -12.464 1.00 0.00 C ATOM 1057 CD PRO A 66 -21.831 -0.464 -13.587 1.00 0.00 C ATOM 0 HA PRO A 66 -21.164 2.662 -12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.380 0.553 -10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -22.570 1.774 -11.285 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.988 -0.845 -11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -23.642 0.418 -12.844 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.167 -1.272 -13.281 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.408 -0.830 -14.436 1.00 0.00 H new ATOM 1065 N MET A 67 -19.371 2.107 -10.964 1.00 0.00 N ATOM 1066 CA MET A 67 -18.067 2.163 -10.320 1.00 0.00 C ATOM 1067 C MET A 67 -18.233 2.221 -8.805 1.00 0.00 C ATOM 1068 O MET A 67 -17.320 2.607 -8.075 1.00 0.00 O ATOM 1069 CB MET A 67 -17.289 3.384 -10.820 1.00 0.00 C ATOM 1070 CG MET A 67 -15.824 3.379 -10.420 1.00 0.00 C ATOM 1071 SD MET A 67 -14.945 4.850 -10.981 1.00 0.00 S ATOM 1072 CE MET A 67 -13.298 4.516 -10.360 1.00 0.00 C ATOM 0 H MET A 67 -20.136 2.474 -10.397 1.00 0.00 H new ATOM 0 HA MET A 67 -17.506 1.263 -10.573 1.00 0.00 H new ATOM 0 HB2 MET A 67 -17.360 3.429 -11.907 1.00 0.00 H new ATOM 0 HB3 MET A 67 -17.759 4.288 -10.432 1.00 0.00 H new ATOM 0 HG2 MET A 67 -15.748 3.307 -9.335 1.00 0.00 H new ATOM 0 HG3 MET A 67 -15.342 2.493 -10.833 1.00 0.00 H new ATOM 0 HE1 MET A 67 -12.635 5.338 -10.628 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.332 4.415 -9.275 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.924 3.591 -10.799 1.00 0.00 H new ATOM 1082 N VAL A 68 -19.412 1.822 -8.343 1.00 0.00 N ATOM 1083 CA VAL A 68 -19.724 1.827 -6.922 1.00 0.00 C ATOM 1084 C VAL A 68 -20.050 0.422 -6.427 1.00 0.00 C ATOM 1085 O VAL A 68 -21.029 -0.187 -6.859 1.00 0.00 O ATOM 1086 CB VAL A 68 -20.911 2.763 -6.628 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -21.364 2.628 -5.181 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -20.543 4.204 -6.944 1.00 0.00 C ATOM 0 H VAL A 68 -20.171 1.489 -8.938 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.842 2.190 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 68 -21.742 2.471 -7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -22.203 3.299 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -21.673 1.600 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -20.540 2.888 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -21.393 4.852 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -19.694 4.506 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -20.278 4.289 -7.998 1.00 0.00 H new ATOM 1098 N GLY A 69 -19.222 -0.086 -5.519 1.00 0.00 N ATOM 1099 CA GLY A 69 -19.439 -1.416 -4.979 1.00 0.00 C ATOM 1100 C GLY A 69 -18.653 -2.477 -5.724 1.00 0.00 C ATOM 1101 O GLY A 69 -19.220 -3.250 -6.497 1.00 0.00 O ATOM 0 H GLY A 69 -18.405 0.399 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -19.155 -1.429 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.501 -1.655 -5.025 1.00 0.00 H new ATOM 1105 N VAL A 70 -17.345 -2.516 -5.490 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.478 -3.482 -6.140 1.00 0.00 C ATOM 1107 C VAL A 70 -16.138 -4.639 -5.204 1.00 0.00 C ATOM 1108 O VAL A 70 -17.003 -5.445 -4.858 1.00 0.00 O ATOM 1109 CB VAL A 70 -15.181 -2.814 -6.633 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -15.340 -2.309 -8.060 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -14.765 -1.686 -5.701 1.00 0.00 C ATOM 0 H VAL A 70 -16.864 -1.884 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.020 -3.878 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.391 -3.565 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.411 -1.841 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.575 -3.146 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.148 -1.578 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.846 -1.229 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.554 -0.935 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.596 -2.084 -4.701 1.00 0.00 H new ATOM 1121 N GLY A 71 -14.876 -4.716 -4.800 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.438 -5.775 -3.910 1.00 0.00 C ATOM 1123 C GLY A 71 -13.310 -6.600 -4.496 1.00 0.00 C ATOM 1124 O GLY A 71 -13.526 -7.715 -4.972 1.00 0.00 O ATOM 0 H GLY A 71 -14.144 -4.060 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.112 -5.339 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.282 -6.428 -3.685 1.00 0.00 H new ATOM 1128 N GLY A 72 -12.104 -6.047 -4.461 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.945 -6.744 -4.992 1.00 0.00 C ATOM 1130 C GLY A 72 -9.897 -7.003 -3.929 1.00 0.00 C ATOM 1131 O GLY A 72 -10.209 -7.517 -2.854 1.00 0.00 O ATOM 0 H GLY A 72 -11.906 -5.125 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.261 -7.692 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.506 -6.155 -5.797 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.650 -6.649 -4.226 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.561 -6.835 -3.282 1.00 0.00 C ATOM 1137 C ILE A 73 -6.735 -5.565 -3.155 1.00 0.00 C ATOM 1138 O ILE A 73 -7.152 -4.490 -3.588 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.617 -7.989 -3.677 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.940 -7.713 -5.016 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.345 -9.319 -3.702 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.504 -8.190 -5.049 1.00 0.00 C ATOM 0 H ILE A 73 -8.372 -6.232 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.031 -7.084 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.841 -8.051 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.501 -8.204 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.969 -6.643 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.649 -10.109 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.752 -9.530 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.158 -9.275 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.070 -7.969 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.933 -7.680 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.474 -9.265 -4.874 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.558 -5.700 -2.555 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.660 -4.574 -2.360 1.00 0.00 C ATOM 1156 C TYR A 74 -3.212 -5.025 -2.529 1.00 0.00 C ATOM 1157 O TYR A 74 -2.648 -5.660 -1.638 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.871 -3.983 -0.964 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.303 -4.076 -0.477 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.752 -5.192 0.221 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.206 -3.052 -0.716 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.055 -5.281 0.666 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.513 -3.138 -0.272 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.931 -4.252 0.417 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.232 -4.337 0.857 1.00 0.00 O ATOM 0 H TYR A 74 -5.204 -6.586 -2.194 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.876 -3.809 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.221 -4.500 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.566 -2.937 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.068 -6.004 0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.884 -2.174 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.385 -6.155 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.204 -2.331 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.718 -3.526 0.600 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.611 -4.700 -3.672 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.235 -5.095 -3.937 1.00 0.00 C ATOM 1177 C VAL A 75 -0.278 -3.970 -3.578 1.00 0.00 C ATOM 1178 O VAL A 75 -0.430 -2.835 -4.026 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.021 -5.515 -5.409 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.191 -4.333 -6.348 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.349 -6.150 -5.586 1.00 0.00 C ATOM 0 H VAL A 75 -3.053 -4.169 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.027 -5.963 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.781 -6.254 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.034 -4.660 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.198 -3.928 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.463 -3.562 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.484 -6.440 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.121 -5.433 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.426 -7.033 -4.951 1.00 0.00 H new ATOM 1191 N VAL A 76 0.702 -4.295 -2.754 1.00 0.00 N ATOM 1192 CA VAL A 76 1.681 -3.311 -2.306 1.00 0.00 C ATOM 1193 C VAL A 76 3.115 -3.712 -2.648 1.00 0.00 C ATOM 1194 O VAL A 76 3.579 -4.776 -2.246 1.00 0.00 O ATOM 1195 CB VAL A 76 1.586 -3.108 -0.783 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.438 -1.926 -0.350 1.00 0.00 C ATOM 1197 CG2 VAL A 76 0.140 -2.927 -0.350 1.00 0.00 C ATOM 0 H VAL A 76 0.844 -5.233 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 76 1.445 -2.386 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 76 1.971 -4.002 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.359 -1.797 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.478 -2.110 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.088 -1.023 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.099 -2.785 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.282 -2.054 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.435 -3.812 -0.622 1.00 0.00 H new ATOM 1207 N LEU A 77 3.808 -2.848 -3.394 1.00 0.00 N ATOM 1208 CA LEU A 77 5.203 -3.089 -3.758 1.00 0.00 C ATOM 1209 C LEU A 77 6.103 -2.116 -3.021 1.00 0.00 C ATOM 1210 O LEU A 77 6.300 -0.988 -3.462 1.00 0.00 O ATOM 1211 CB LEU A 77 5.419 -2.937 -5.264 1.00 0.00 C ATOM 1212 CG LEU A 77 4.775 -4.026 -6.122 1.00 0.00 C ATOM 1213 CD1 LEU A 77 5.006 -3.750 -7.599 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.322 -5.391 -5.739 1.00 0.00 C ATOM 0 H LEU A 77 3.424 -1.976 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 77 5.451 -4.112 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.026 -1.969 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.491 -2.925 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 77 3.700 -4.021 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.540 -4.536 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.567 -2.788 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.077 -3.728 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.855 -6.157 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.401 -5.407 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.103 -5.589 -4.690 1.00 0.00 H new ATOM 1226 N VAL A 78 6.660 -2.551 -1.905 1.00 0.00 N ATOM 1227 CA VAL A 78 7.518 -1.681 -1.117 1.00 0.00 C ATOM 1228 C VAL A 78 8.980 -1.839 -1.516 1.00 0.00 C ATOM 1229 O VAL A 78 9.623 -2.836 -1.185 1.00 0.00 O ATOM 1230 CB VAL A 78 7.360 -1.942 0.393 1.00 0.00 C ATOM 1231 CG1 VAL A 78 7.035 -0.643 1.128 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.289 -2.991 0.651 1.00 0.00 C ATOM 0 H VAL A 78 6.537 -3.490 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 78 7.205 -0.658 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 78 8.306 -2.326 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.927 -0.845 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.842 0.073 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.104 -0.229 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.195 -3.159 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.336 -2.643 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.568 -3.924 0.161 1.00 0.00 H new ATOM 1242 N LYS A 79 9.492 -0.845 -2.238 1.00 0.00 N ATOM 1243 CA LYS A 79 10.877 -0.856 -2.695 1.00 0.00 C ATOM 1244 C LYS A 79 11.716 0.171 -1.937 1.00 0.00 C ATOM 1245 O LYS A 79 11.668 1.361 -2.239 1.00 0.00 O ATOM 1246 CB LYS A 79 10.942 -0.568 -4.195 1.00 0.00 C ATOM 1247 CG LYS A 79 10.825 -1.813 -5.057 1.00 0.00 C ATOM 1248 CD LYS A 79 11.014 -1.494 -6.532 1.00 0.00 C ATOM 1249 CE LYS A 79 9.901 -0.604 -7.063 1.00 0.00 C ATOM 1250 NZ LYS A 79 10.075 -0.297 -8.508 1.00 0.00 N ATOM 0 H LYS A 79 8.965 -0.019 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 79 11.286 -1.847 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.142 0.123 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.884 -0.067 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.571 -2.544 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.847 -2.270 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.975 -1.000 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.042 -2.421 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.940 -1.095 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.878 0.326 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.296 0.312 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.980 0.194 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.071 -1.182 -9.054 1.00 0.00 H new ATOM 1264 N PRO A 80 12.498 -0.279 -0.941 1.00 0.00 N ATOM 1265 CA PRO A 80 13.348 0.606 -0.139 1.00 0.00 C ATOM 1266 C PRO A 80 14.179 1.563 -0.987 1.00 0.00 C ATOM 1267 O PRO A 80 15.246 1.204 -1.484 1.00 0.00 O ATOM 1268 CB PRO A 80 14.253 -0.365 0.616 1.00 0.00 C ATOM 1269 CG PRO A 80 13.451 -1.614 0.731 1.00 0.00 C ATOM 1270 CD PRO A 80 12.610 -1.687 -0.513 1.00 0.00 C ATOM 0 HA PRO A 80 12.756 1.255 0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.184 -0.540 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.522 0.025 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.099 -2.487 0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.825 -1.594 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.081 -2.303 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.632 -2.123 -0.310 1.00 0.00 H new ATOM 1278 N ARG A 81 13.675 2.782 -1.155 1.00 0.00 N ATOM 1279 CA ARG A 81 14.367 3.802 -1.933 1.00 0.00 C ATOM 1280 C ARG A 81 15.698 4.161 -1.285 1.00 0.00 C ATOM 1281 O ARG A 81 16.689 4.411 -1.970 1.00 0.00 O ATOM 1282 CB ARG A 81 13.495 5.050 -2.047 1.00 0.00 C ATOM 1283 CG ARG A 81 13.109 5.393 -3.472 1.00 0.00 C ATOM 1284 CD ARG A 81 12.112 6.538 -3.517 1.00 0.00 C ATOM 1285 NE ARG A 81 11.818 6.953 -4.885 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.634 7.412 -5.281 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.632 7.502 -4.417 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.450 7.778 -6.542 1.00 0.00 N ATOM 0 H ARG A 81 12.785 3.087 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 81 14.561 3.404 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.589 4.905 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.026 5.895 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.001 5.663 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.679 4.516 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.189 6.234 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.508 7.386 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 81 12.564 6.887 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.768 7.219 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.725 7.854 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.217 7.708 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.541 8.130 -6.844 1.00 0.00 H new ATOM 1302 N LYS A 82 15.707 4.182 0.043 1.00 0.00 N ATOM 1303 CA LYS A 82 16.909 4.511 0.798 1.00 0.00 C ATOM 1304 C LYS A 82 17.356 3.319 1.635 1.00 0.00 C ATOM 1305 O LYS A 82 16.794 2.229 1.526 1.00 0.00 O ATOM 1306 CB LYS A 82 16.644 5.718 1.702 1.00 0.00 C ATOM 1307 CG LYS A 82 15.982 6.882 0.982 1.00 0.00 C ATOM 1308 CD LYS A 82 15.695 8.036 1.928 1.00 0.00 C ATOM 1309 CE LYS A 82 15.001 9.183 1.210 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.837 9.740 0.113 1.00 0.00 N ATOM 0 H LYS A 82 14.892 3.974 0.620 1.00 0.00 H new ATOM 0 HA LYS A 82 17.705 4.759 0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.010 5.407 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.588 6.055 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.628 7.225 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.051 6.546 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.069 7.688 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.628 8.390 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.052 8.834 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.769 9.972 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.426 10.637 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.802 9.908 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.868 9.064 -0.677 1.00 0.00 H new ATOM 1324 N ARG A 83 18.369 3.528 2.468 1.00 0.00 N ATOM 1325 CA ARG A 83 18.881 2.464 3.325 1.00 0.00 C ATOM 1326 C ARG A 83 19.054 2.959 4.756 1.00 0.00 C ATOM 1327 O ARG A 83 19.817 3.889 5.016 1.00 0.00 O ATOM 1328 CB ARG A 83 20.212 1.943 2.785 1.00 0.00 C ATOM 1329 CG ARG A 83 20.142 1.492 1.335 1.00 0.00 C ATOM 1330 CD ARG A 83 21.488 0.988 0.843 1.00 0.00 C ATOM 1331 NE ARG A 83 21.468 0.677 -0.584 1.00 0.00 N ATOM 1332 CZ ARG A 83 22.553 0.359 -1.285 1.00 0.00 C ATOM 1333 NH1 ARG A 83 23.739 0.311 -0.693 1.00 0.00 N ATOM 1334 NH2 ARG A 83 22.451 0.090 -2.579 1.00 0.00 N ATOM 0 H ARG A 83 18.851 4.421 2.568 1.00 0.00 H new ATOM 0 HA ARG A 83 18.157 1.649 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.964 2.726 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.543 1.108 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.398 0.702 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.813 2.322 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.251 1.741 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 83 21.769 0.097 1.404 1.00 0.00 H new ATOM 0 HE ARG A 83 20.572 0.705 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.821 0.518 0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.569 0.067 -1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 83 21.541 0.127 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.283 -0.154 -3.116 1.00 0.00 H new ATOM 1348 N GLY A 84 18.338 2.329 5.681 1.00 0.00 N ATOM 1349 CA GLY A 84 18.421 2.715 7.077 1.00 0.00 C ATOM 1350 C GLY A 84 17.212 2.269 7.876 1.00 0.00 C ATOM 1351 O GLY A 84 17.114 1.104 8.267 1.00 0.00 O ATOM 0 H GLY A 84 17.701 1.556 5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.321 2.286 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.518 3.798 7.146 1.00 0.00 H new ATOM 1355 N HIS A 85 16.291 3.194 8.120 1.00 0.00 N ATOM 1356 CA HIS A 85 15.081 2.890 8.878 1.00 0.00 C ATOM 1357 C HIS A 85 13.831 3.156 8.047 1.00 0.00 C ATOM 1358 O HIS A 85 13.405 4.301 7.894 1.00 0.00 O ATOM 1359 CB HIS A 85 15.040 3.719 10.164 1.00 0.00 C ATOM 1360 CG HIS A 85 16.184 3.446 11.090 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.304 4.248 11.159 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.378 2.454 11.991 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.137 3.760 12.061 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.598 2.673 12.580 1.00 0.00 N ATOM 0 H HIS A 85 16.358 4.162 7.804 1.00 0.00 H new ATOM 0 HA HIS A 85 15.102 1.831 9.135 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.039 4.778 9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.105 3.518 10.686 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.699 1.642 12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.096 4.179 12.328 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.020 2.090 13.302 1.00 0.00 H new ATOM 1373 N HIS A 86 13.250 2.088 7.506 1.00 0.00 N ATOM 1374 CA HIS A 86 12.046 2.199 6.690 1.00 0.00 C ATOM 1375 C HIS A 86 10.892 1.432 7.331 1.00 0.00 C ATOM 1376 O HIS A 86 11.111 0.564 8.174 1.00 0.00 O ATOM 1377 CB HIS A 86 12.307 1.662 5.281 1.00 0.00 C ATOM 1378 CG HIS A 86 13.453 2.326 4.584 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.635 2.654 5.216 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.596 2.721 3.296 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.452 3.224 4.349 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.846 3.276 3.177 1.00 0.00 N ATOM 0 H HIS A 86 13.595 1.135 7.619 1.00 0.00 H new ATOM 0 HA HIS A 86 11.774 3.252 6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.501 0.591 5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.406 1.789 4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.845 2.483 6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.863 2.618 2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.447 3.586 4.562 1.00 0.00 H new ATOM 1391 N THR A 87 9.666 1.753 6.925 1.00 0.00 N ATOM 1392 CA THR A 87 8.488 1.088 7.473 1.00 0.00 C ATOM 1393 C THR A 87 7.273 1.252 6.566 1.00 0.00 C ATOM 1394 O THR A 87 7.143 2.251 5.858 1.00 0.00 O ATOM 1395 CB THR A 87 8.134 1.637 8.866 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.231 1.441 9.766 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.891 0.952 9.413 1.00 0.00 C ATOM 0 H THR A 87 9.463 2.465 6.223 1.00 0.00 H new ATOM 0 HA THR A 87 8.741 0.030 7.548 1.00 0.00 H new ATOM 0 HB THR A 87 7.932 2.704 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.199 0.530 10.127 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.658 1.355 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.052 1.130 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.071 -0.120 9.492 1.00 0.00 H new ATOM 1405 N LEU A 88 6.379 0.267 6.604 1.00 0.00 N ATOM 1406 CA LEU A 88 5.169 0.305 5.801 1.00 0.00 C ATOM 1407 C LEU A 88 3.955 -0.039 6.645 1.00 0.00 C ATOM 1408 O LEU A 88 3.486 -1.176 6.645 1.00 0.00 O ATOM 1409 CB LEU A 88 5.258 -0.665 4.632 1.00 0.00 C ATOM 1410 CG LEU A 88 4.134 -0.506 3.613 1.00 0.00 C ATOM 1411 CD1 LEU A 88 4.343 0.771 2.821 1.00 0.00 C ATOM 1412 CD2 LEU A 88 4.064 -1.710 2.694 1.00 0.00 C ATOM 0 H LEU A 88 6.474 -0.566 7.184 1.00 0.00 H new ATOM 0 HA LEU A 88 5.065 1.318 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.215 -0.526 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.246 -1.685 5.016 1.00 0.00 H new ATOM 0 HG LEU A 88 3.183 -0.441 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.539 0.883 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.340 1.624 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.300 0.724 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.255 -1.573 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.009 -1.816 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.878 -2.608 3.284 1.00 0.00 H new ATOM 1424 N GLU A 89 3.444 0.951 7.354 1.00 0.00 N ATOM 1425 CA GLU A 89 2.289 0.750 8.213 1.00 0.00 C ATOM 1426 C GLU A 89 0.989 0.921 7.444 1.00 0.00 C ATOM 1427 O GLU A 89 0.601 2.035 7.094 1.00 0.00 O ATOM 1428 CB GLU A 89 2.332 1.715 9.396 1.00 0.00 C ATOM 1429 CG GLU A 89 3.094 2.991 9.095 1.00 0.00 C ATOM 1430 CD GLU A 89 2.833 4.085 10.111 1.00 0.00 C ATOM 1431 OE1 GLU A 89 1.885 4.873 9.905 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.576 4.155 11.113 1.00 0.00 O ATOM 0 H GLU A 89 3.810 1.903 7.353 1.00 0.00 H new ATOM 0 HA GLU A 89 2.327 -0.273 8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.313 1.968 9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.793 1.216 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.162 2.773 9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.817 3.349 8.103 1.00 0.00 H new ATOM 1439 N LEU A 90 0.330 -0.198 7.165 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.944 -0.180 6.458 1.00 0.00 C ATOM 1441 C LEU A 90 -2.085 -0.073 7.457 1.00 0.00 C ATOM 1442 O LEU A 90 -1.885 -0.265 8.658 1.00 0.00 O ATOM 1443 CB LEU A 90 -1.119 -1.435 5.597 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.386 -1.411 4.255 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.550 -2.739 3.533 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.898 -0.270 3.392 1.00 0.00 C ATOM 0 H LEU A 90 0.658 -1.130 7.418 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.955 0.687 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.773 -2.298 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.183 -1.582 5.409 1.00 0.00 H new ATOM 0 HG LEU A 90 0.676 -1.252 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.022 -2.703 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.138 -3.540 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.609 -2.927 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.366 -0.267 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.965 -0.401 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.731 0.677 3.905 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.281 0.219 6.964 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.432 0.370 7.838 1.00 0.00 C ATOM 1460 C VAL A 91 -5.747 0.099 7.103 1.00 0.00 C ATOM 1461 O VAL A 91 -5.873 0.373 5.907 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.466 1.792 8.432 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.370 2.831 7.321 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.717 2.004 9.273 1.00 0.00 C ATOM 0 H VAL A 91 -3.477 0.355 5.972 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.330 -0.365 8.636 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.604 1.911 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.395 3.831 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.436 2.695 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.210 2.711 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.715 3.015 9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.601 1.865 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.732 1.284 10.091 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.717 -0.448 7.836 1.00 0.00 N ATOM 1475 CA TYR A 92 -8.036 -0.748 7.285 1.00 0.00 C ATOM 1476 C TYR A 92 -9.006 0.376 7.640 1.00 0.00 C ATOM 1477 O TYR A 92 -9.764 0.273 8.604 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.536 -2.083 7.847 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.687 -2.695 7.082 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.655 -2.794 5.697 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.804 -3.186 7.749 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.701 -3.363 4.998 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.854 -3.758 7.056 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.798 -3.844 5.681 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.841 -4.412 4.987 1.00 0.00 O ATOM 0 H TYR A 92 -6.611 -0.693 8.820 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.971 -0.826 6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.707 -2.791 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.843 -1.935 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.797 -2.420 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.852 -3.119 8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.660 -3.431 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.714 -4.136 7.589 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.534 -4.701 5.617 1.00 0.00 H new ATOM 1495 N THR A 93 -8.981 1.450 6.853 1.00 0.00 N ATOM 1496 CA THR A 93 -9.823 2.615 7.118 1.00 0.00 C ATOM 1497 C THR A 93 -10.753 2.965 5.960 1.00 0.00 C ATOM 1498 O THR A 93 -10.492 2.616 4.813 1.00 0.00 O ATOM 1499 CB THR A 93 -8.952 3.843 7.392 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.775 4.974 7.691 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.081 4.145 6.182 1.00 0.00 C ATOM 0 H THR A 93 -8.388 1.538 6.028 1.00 0.00 H new ATOM 0 HA THR A 93 -10.431 2.348 7.982 1.00 0.00 H new ATOM 0 HB THR A 93 -8.312 3.634 8.249 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.728 5.617 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.465 5.021 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.438 3.290 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.715 4.342 5.317 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.825 3.690 6.280 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.792 4.130 5.278 1.00 0.00 C ATOM 1511 C ARG A 94 -12.552 5.597 4.916 1.00 0.00 C ATOM 1512 O ARG A 94 -12.935 6.494 5.665 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.224 3.959 5.792 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.796 2.573 5.558 1.00 0.00 C ATOM 1515 CD ARG A 94 -16.218 2.462 6.078 1.00 0.00 C ATOM 1516 NE ARG A 94 -17.158 3.242 5.278 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.465 3.001 5.230 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.985 2.005 5.936 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.253 3.756 4.477 1.00 0.00 N ATOM 0 H ARG A 94 -12.045 3.986 7.231 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.660 3.512 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.245 4.175 6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.865 4.694 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.779 2.347 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.168 1.831 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.523 1.416 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.253 2.803 7.113 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.791 4.016 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.382 1.423 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.988 1.822 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.857 4.523 3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.255 3.570 4.441 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.898 5.857 3.768 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.607 7.222 3.311 1.00 0.00 C ATOM 1535 C PRO A 95 -12.812 8.157 3.398 1.00 0.00 C ATOM 1536 O PRO A 95 -12.675 9.326 3.762 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.207 7.025 1.850 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.673 5.637 1.772 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.379 4.839 2.835 1.00 0.00 C ATOM 0 HA PRO A 95 -10.843 7.692 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.062 7.155 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.455 7.753 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.851 5.209 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.595 5.628 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.185 4.238 2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.697 4.151 3.335 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.987 7.637 3.062 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.212 8.416 3.076 1.00 0.00 C ATOM 1549 C PHE A 96 -15.691 8.723 4.497 1.00 0.00 C ATOM 1550 O PHE A 96 -16.798 9.227 4.685 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.290 7.654 2.315 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.019 7.541 0.842 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.181 6.550 0.354 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.601 8.423 -0.054 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.928 6.443 -1.001 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.353 8.320 -1.409 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.515 7.329 -1.883 1.00 0.00 C ATOM 0 H PHE A 96 -14.114 6.667 2.774 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.010 9.373 2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.382 6.653 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.248 8.152 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.721 5.854 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.256 9.200 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.272 5.668 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.814 9.013 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.319 7.247 -2.942 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.860 8.425 5.490 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.217 8.675 6.885 1.00 0.00 C ATOM 1569 C GLU A 97 -13.984 8.973 7.728 1.00 0.00 C ATOM 1570 O GLU A 97 -14.078 9.129 8.946 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.953 7.470 7.474 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.345 7.260 6.902 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.111 6.166 7.621 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.892 4.979 7.301 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.929 6.497 8.505 1.00 0.00 O ATOM 0 H GLU A 97 -13.937 8.011 5.357 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.871 9.547 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.359 6.573 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.030 7.596 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.905 8.193 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.265 7.008 5.845 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.828 9.054 7.079 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.598 9.323 7.800 1.00 0.00 C ATOM 1584 C GLY A 98 -11.016 8.068 8.403 1.00 0.00 C ATOM 1585 O GLY A 98 -11.491 6.964 8.133 1.00 0.00 O ATOM 0 H GLY A 98 -12.721 8.939 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.871 9.772 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.791 10.050 8.589 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.988 8.231 9.221 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.339 7.095 9.848 1.00 0.00 C ATOM 1591 C ILE A 99 -9.568 7.071 11.355 1.00 0.00 C ATOM 1592 O ILE A 99 -9.728 8.113 11.989 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.830 7.103 9.562 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.569 7.596 8.135 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.256 5.709 9.767 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.110 7.882 7.846 1.00 0.00 C ATOM 0 H ILE A 99 -9.588 9.137 9.464 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.786 6.198 9.418 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.336 7.784 10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.930 6.847 7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.149 8.503 7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.185 5.723 9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.425 5.394 10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.746 5.010 9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.004 8.227 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.749 8.653 8.526 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.526 6.972 7.986 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.584 5.866 11.915 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.796 5.679 13.344 1.00 0.00 C ATOM 1610 C LYS A 100 -8.809 4.662 13.910 1.00 0.00 C ATOM 1611 O LYS A 100 -8.181 3.914 13.161 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.230 5.212 13.613 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.961 4.725 12.371 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.448 4.539 12.631 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.177 5.871 12.696 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.616 5.702 13.039 1.00 0.00 N ATOM 0 H LYS A 100 -9.451 4.998 11.395 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.633 6.637 13.838 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.208 4.408 14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.793 6.034 14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.820 5.441 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.528 3.781 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.882 3.925 11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.589 4.000 13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.700 6.510 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.090 6.379 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.077 6.634 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.078 5.114 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.700 5.240 13.967 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.660 4.624 15.245 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.751 3.690 15.909 1.00 0.00 C ATOM 1632 C PRO A 101 -8.337 2.289 15.976 1.00 0.00 C ATOM 1633 O PRO A 101 -7.617 1.305 16.155 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.614 4.278 17.308 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.907 4.975 17.551 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.369 5.485 16.213 1.00 0.00 C ATOM 0 HA PRO A 101 -6.802 3.584 15.383 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.438 3.499 18.050 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.774 4.970 17.367 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.641 4.294 17.982 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.780 5.795 18.257 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.450 5.402 16.105 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.114 6.536 16.076 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.651 2.214 15.828 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.357 0.937 15.868 1.00 0.00 C ATOM 1646 C GLU A 102 -10.178 0.169 14.562 1.00 0.00 C ATOM 1647 O GLU A 102 -10.699 -0.936 14.404 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.840 1.162 16.134 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.488 2.050 15.097 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.976 2.235 15.327 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.764 1.426 14.795 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.351 3.190 16.040 1.00 0.00 O ATOM 0 H GLU A 102 -10.254 3.023 15.679 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.932 0.344 16.678 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.352 0.200 16.154 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.965 1.610 17.120 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.000 3.025 15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.329 1.621 14.108 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.439 0.760 13.629 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.194 0.136 12.333 1.00 0.00 C ATOM 1661 C ASN A 103 -8.055 -0.877 12.408 1.00 0.00 C ATOM 1662 O ASN A 103 -7.129 -0.728 13.206 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.865 1.203 11.289 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.026 2.142 11.018 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.826 3.298 10.648 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.247 1.652 11.199 1.00 0.00 N ATOM 0 H ASN A 103 -8.998 1.672 13.746 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.102 -0.392 12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.007 1.783 11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.573 0.716 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.063 2.240 11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.369 0.687 11.507 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.135 -1.908 11.570 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.119 -2.943 11.523 1.00 0.00 C ATOM 1675 C GLU A 104 -5.762 -2.354 11.146 1.00 0.00 C ATOM 1676 O GLU A 104 -5.666 -1.185 10.770 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.523 -4.016 10.515 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.230 -5.424 10.991 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.579 -6.478 9.958 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.772 -6.835 9.857 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.662 -6.945 9.252 1.00 0.00 O ATOM 0 H GLU A 104 -8.902 -2.044 10.911 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.033 -3.391 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.589 -3.925 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.997 -3.840 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.173 -5.505 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.791 -5.618 11.905 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.720 -3.172 11.241 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.370 -2.728 10.918 1.00 0.00 C ATOM 1690 C ARG A 105 -2.622 -3.777 10.101 1.00 0.00 C ATOM 1691 O ARG A 105 -3.003 -4.945 10.070 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.589 -2.441 12.211 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.155 -1.978 11.984 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.080 -0.467 11.916 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.424 0.144 13.194 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.412 1.455 13.415 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.075 2.292 12.443 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.740 1.930 14.609 1.00 0.00 N ATOM 0 H ARG A 105 -4.784 -4.145 11.539 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.451 -1.818 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.119 -1.678 12.781 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.575 -3.344 12.822 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.519 -2.342 12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.772 -2.407 11.058 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.074 -0.164 11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.757 -0.103 11.144 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.689 -0.470 13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.824 1.930 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.067 3.297 12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.002 1.289 15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.731 2.936 14.778 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.583 -3.325 9.409 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.717 -4.196 8.625 1.00 0.00 C ATOM 1714 C TYR A 106 0.583 -3.466 8.337 1.00 0.00 C ATOM 1715 O TYR A 106 0.832 -3.009 7.224 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.383 -4.673 7.332 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.577 -5.717 6.592 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.489 -5.364 5.774 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.880 -7.064 6.726 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.230 -6.321 5.111 1.00 0.00 C ATOM 1721 CE2 TYR A 106 -0.148 -8.028 6.066 1.00 0.00 C ATOM 1722 CZ TYR A 106 0.906 -7.654 5.260 1.00 0.00 C ATOM 1723 OH TYR A 106 1.641 -8.614 4.602 1.00 0.00 O ATOM 0 H TYR A 106 -1.317 -2.341 9.376 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.514 -5.095 9.207 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.365 -5.082 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.543 -3.817 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.743 -4.321 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.703 -7.363 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.057 -6.029 4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.399 -9.072 6.180 1.00 0.00 H new ATOM 0 HH TYR A 106 1.284 -9.502 4.814 1.00 0.00 H new ATOM 1733 N THR A 107 1.397 -3.329 9.372 1.00 0.00 N ATOM 1734 CA THR A 107 2.668 -2.646 9.248 1.00 0.00 C ATOM 1735 C THR A 107 3.748 -3.597 8.764 1.00 0.00 C ATOM 1736 O THR A 107 3.681 -4.802 9.000 1.00 0.00 O ATOM 1737 CB THR A 107 3.099 -2.016 10.587 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.026 -1.239 11.131 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.322 -1.132 10.402 1.00 0.00 C ATOM 0 H THR A 107 1.197 -3.684 10.307 1.00 0.00 H new ATOM 0 HA THR A 107 2.537 -1.850 8.514 1.00 0.00 H new ATOM 0 HB THR A 107 3.352 -2.822 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.307 -0.844 11.982 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.606 -0.699 11.361 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.147 -1.729 10.014 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.090 -0.333 9.698 1.00 0.00 H new ATOM 1747 N LEU A 108 4.732 -3.049 8.070 1.00 0.00 N ATOM 1748 CA LEU A 108 5.833 -3.840 7.555 1.00 0.00 C ATOM 1749 C LEU A 108 7.142 -3.078 7.693 1.00 0.00 C ATOM 1750 O LEU A 108 7.560 -2.358 6.785 1.00 0.00 O ATOM 1751 CB LEU A 108 5.581 -4.233 6.097 1.00 0.00 C ATOM 1752 CG LEU A 108 6.778 -4.858 5.374 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.322 -6.040 6.162 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.388 -5.282 3.967 1.00 0.00 C ATOM 0 H LEU A 108 4.789 -2.055 7.851 1.00 0.00 H new ATOM 0 HA LEU A 108 5.906 -4.755 8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.750 -4.937 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.268 -3.346 5.547 1.00 0.00 H new ATOM 0 HG LEU A 108 7.566 -4.108 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.172 -6.470 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.642 -5.704 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.543 -6.794 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.250 -5.724 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.583 -6.015 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.050 -4.411 3.405 1.00 0.00 H new ATOM 1766 N HIS A 109 7.773 -3.234 8.848 1.00 0.00 N ATOM 1767 CA HIS A 109 9.035 -2.569 9.130 1.00 0.00 C ATOM 1768 C HIS A 109 10.170 -3.241 8.375 1.00 0.00 C ATOM 1769 O HIS A 109 10.194 -4.463 8.221 1.00 0.00 O ATOM 1770 CB HIS A 109 9.315 -2.571 10.626 1.00 0.00 C ATOM 1771 CG HIS A 109 8.665 -1.448 11.367 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.359 -0.354 11.839 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.375 -1.258 11.728 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.524 0.460 12.460 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.314 -0.065 12.405 1.00 0.00 N ATOM 0 H HIS A 109 7.428 -3.819 9.609 1.00 0.00 H new ATOM 0 HA HIS A 109 8.963 -1.534 8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.974 -3.517 11.048 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.392 -2.521 10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.548 -1.921 11.522 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.786 1.395 12.932 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.470 0.349 12.801 1.00 0.00 H new ATOM 1784 N LEU A 110 11.117 -2.432 7.929 1.00 0.00 N ATOM 1785 CA LEU A 110 12.251 -2.921 7.160 1.00 0.00 C ATOM 1786 C LEU A 110 13.518 -2.140 7.485 1.00 0.00 C ATOM 1787 O LEU A 110 13.691 -1.011 7.027 1.00 0.00 O ATOM 1788 CB LEU A 110 11.961 -2.803 5.661 1.00 0.00 C ATOM 1789 CG LEU A 110 10.748 -3.592 5.161 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.475 -3.268 3.700 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.961 -5.086 5.344 1.00 0.00 C ATOM 0 H LEU A 110 11.123 -1.424 8.088 1.00 0.00 H new ATOM 0 HA LEU A 110 12.406 -3.966 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.813 -1.751 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.841 -3.136 5.111 1.00 0.00 H new ATOM 0 HG LEU A 110 9.881 -3.299 5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.610 -3.836 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.274 -2.202 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.345 -3.534 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.086 -5.625 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.840 -5.400 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.110 -5.305 6.401 1.00 0.00 H new ATOM 1803 N ASN A 111 14.393 -2.736 8.285 1.00 0.00 N ATOM 1804 CA ASN A 111 15.655 -2.099 8.631 1.00 0.00 C ATOM 1805 C ASN A 111 16.636 -2.309 7.486 1.00 0.00 C ATOM 1806 O ASN A 111 17.680 -2.940 7.644 1.00 0.00 O ATOM 1807 CB ASN A 111 16.211 -2.672 9.936 1.00 0.00 C ATOM 1808 CG ASN A 111 17.454 -1.943 10.411 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.366 -0.937 11.115 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.621 -2.451 10.032 1.00 0.00 N ATOM 0 H ASN A 111 14.252 -3.655 8.704 1.00 0.00 H new ATOM 0 HA ASN A 111 15.497 -1.032 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.444 -2.616 10.709 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.445 -3.727 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.490 -2.005 10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.648 -3.287 9.448 1.00 0.00 H new ATOM 1817 N VAL A 112 16.261 -1.781 6.324 1.00 0.00 N ATOM 1818 CA VAL A 112 17.054 -1.901 5.107 1.00 0.00 C ATOM 1819 C VAL A 112 18.550 -1.781 5.389 1.00 0.00 C ATOM 1820 O VAL A 112 18.975 -0.969 6.211 1.00 0.00 O ATOM 1821 CB VAL A 112 16.658 -0.830 4.070 1.00 0.00 C ATOM 1822 CG1 VAL A 112 17.005 -1.295 2.669 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.177 -0.497 4.171 1.00 0.00 C ATOM 0 H VAL A 112 15.395 -1.256 6.201 1.00 0.00 H new ATOM 0 HA VAL A 112 16.847 -2.892 4.704 1.00 0.00 H new ATOM 0 HB VAL A 112 17.224 0.077 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.719 -0.528 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.078 -1.475 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.468 -2.217 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.923 0.260 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.589 -1.396 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.957 -0.116 5.168 1.00 0.00 H new ATOM 1833 N LYS A 113 19.340 -2.597 4.698 1.00 0.00 N ATOM 1834 CA LYS A 113 20.787 -2.591 4.866 1.00 0.00 C ATOM 1835 C LYS A 113 21.433 -1.505 4.012 1.00 0.00 C ATOM 1836 O LYS A 113 21.687 -0.406 4.547 1.00 0.00 O ATOM 1837 CB LYS A 113 21.357 -3.960 4.494 1.00 0.00 C ATOM 1838 CG LYS A 113 20.850 -5.086 5.380 1.00 0.00 C ATOM 1839 CD LYS A 113 21.382 -4.964 6.798 1.00 0.00 C ATOM 1840 CE LYS A 113 20.789 -6.024 7.712 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.345 -5.944 9.091 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.681 -1.762 2.815 1.00 0.00 O ATOM 0 H LYS A 113 19.000 -3.273 4.014 1.00 0.00 H new ATOM 0 HA LYS A 113 21.011 -2.378 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.104 -4.181 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.445 -3.921 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.760 -5.074 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.151 -6.045 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.468 -5.057 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.150 -3.974 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.706 -5.906 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.987 -7.012 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.915 -6.684 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.375 -6.082 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.134 -5.010 9.497 1.00 0.00 H new TER 1856 LYS A 113