USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 681 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 46 LYS NZ :NH3+ -113:sc= 0.0871 (180deg=0) USER MOD Set 1.2: A 47 ASN : amide:sc= 0.0683 K(o=0.16,f=-1.7) USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 4 HIS : no HD1:sc= 1.09 K(o=1.1,f=-3.5!) USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.127 (180deg=-0.574) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.028) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0.881 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.597 F(o=-1.2,f=-0.6) USER MOD Single : A 14 ASN : amide:sc= -0.472 K(o=-0.47,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc=-0.00833 (180deg=-0.177) USER MOD Single : A 17 TYR OH : rot -146:sc= 1.93 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.15 (180deg=1.04) USER MOD Single : A 29 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.61) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 1.05 (180deg=0.659) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -160:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.084) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 152:sc= -0.537 (180deg=-0.736) USER MOD Single : A 55 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.0086) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 72 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0.076) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-2.3) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.605 21.744 -4.700 1.00 0.00 N ATOM 2 CA MET A 1 -1.252 22.538 -5.738 1.00 0.00 C ATOM 3 C MET A 1 -2.245 21.699 -6.523 1.00 0.00 C ATOM 4 O MET A 1 -3.441 21.887 -6.387 1.00 0.00 O ATOM 5 CB MET A 1 -0.231 23.198 -6.679 1.00 0.00 C ATOM 6 CG MET A 1 0.618 24.275 -6.021 1.00 0.00 C ATOM 7 SD MET A 1 1.823 25.020 -7.150 1.00 0.00 S ATOM 8 CE MET A 1 2.855 23.597 -7.546 1.00 0.00 C ATOM 0 H1 MET A 1 -0.035 22.366 -4.092 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.329 21.267 -4.125 1.00 0.00 H new ATOM 0 H3 MET A 1 0.011 21.032 -5.141 1.00 0.00 H new ATOM 0 HA MET A 1 -1.796 23.339 -5.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.427 22.427 -7.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.762 23.636 -7.524 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.035 25.055 -5.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.145 23.844 -5.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.811 23.940 -7.942 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.025 23.009 -6.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.354 22.980 -8.292 1.00 0.00 H new ATOM 20 N LEU A 2 -1.760 20.754 -7.314 1.00 0.00 N ATOM 21 CA LEU A 2 -2.637 19.913 -8.108 1.00 0.00 C ATOM 22 C LEU A 2 -2.913 18.623 -7.355 1.00 0.00 C ATOM 23 O LEU A 2 -1.990 17.984 -6.838 1.00 0.00 O ATOM 24 CB LEU A 2 -2.014 19.601 -9.477 1.00 0.00 C ATOM 25 CG LEU A 2 -2.868 18.735 -10.423 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.157 19.453 -10.817 1.00 0.00 C ATOM 27 CD2 LEU A 2 -2.077 18.336 -11.654 1.00 0.00 C ATOM 0 H LEU A 2 -0.766 20.552 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.572 20.447 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -1.794 20.544 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -1.061 19.097 -9.315 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.142 17.827 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.738 18.817 -11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.741 19.669 -9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.913 20.386 -11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.702 17.725 -12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.761 19.231 -12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.199 17.764 -11.353 1.00 0.00 H new ATOM 39 N LYS A 3 -4.156 18.261 -7.248 1.00 0.00 N ATOM 40 CA LYS A 3 -4.518 17.050 -6.554 1.00 0.00 C ATOM 41 C LYS A 3 -4.568 15.853 -7.511 1.00 0.00 C ATOM 42 O LYS A 3 -5.631 15.432 -7.976 1.00 0.00 O ATOM 43 CB LYS A 3 -5.824 17.243 -5.741 1.00 0.00 C ATOM 44 CG LYS A 3 -7.029 17.722 -6.564 1.00 0.00 C ATOM 45 CD LYS A 3 -8.218 18.133 -5.694 1.00 0.00 C ATOM 46 CE LYS A 3 -7.882 19.354 -4.843 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.049 19.885 -4.113 1.00 0.00 N ATOM 0 H LYS A 3 -4.943 18.785 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.738 16.820 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.081 16.298 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.637 17.963 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.728 18.568 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.339 16.927 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.077 18.353 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.503 17.303 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.103 19.089 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.474 20.136 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.761 20.713 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.785 20.166 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.425 19.151 -3.479 1.00 0.00 H new ATOM 61 N HIS A 4 -3.401 15.365 -7.882 1.00 0.00 N ATOM 62 CA HIS A 4 -3.350 14.217 -8.765 1.00 0.00 C ATOM 63 C HIS A 4 -2.671 13.048 -8.065 1.00 0.00 C ATOM 64 O HIS A 4 -2.845 11.896 -8.445 1.00 0.00 O ATOM 65 CB HIS A 4 -2.629 14.547 -10.079 1.00 0.00 C ATOM 66 CG HIS A 4 -3.069 13.686 -11.229 1.00 0.00 C ATOM 67 ND1 HIS A 4 -2.401 12.558 -11.668 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.137 13.822 -12.041 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.051 12.047 -12.702 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.105 12.802 -12.939 1.00 0.00 N ATOM 0 H HIS A 4 -2.495 15.735 -7.594 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.374 13.939 -9.013 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.805 15.593 -10.329 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.555 14.429 -9.936 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.883 14.601 -11.988 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.767 11.164 -13.255 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.789 12.646 -13.679 1.00 0.00 H new ATOM 79 N GLY A 5 -1.903 13.341 -7.048 1.00 0.00 N ATOM 80 CA GLY A 5 -1.249 12.302 -6.324 1.00 0.00 C ATOM 81 C GLY A 5 -0.769 12.766 -4.985 1.00 0.00 C ATOM 82 O GLY A 5 -0.017 13.736 -4.896 1.00 0.00 O ATOM 0 H GLY A 5 -1.721 14.286 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.935 11.465 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.403 11.933 -6.904 1.00 0.00 H new ATOM 86 N LYS A 6 -1.207 12.103 -3.945 1.00 0.00 N ATOM 87 CA LYS A 6 -0.779 12.440 -2.592 1.00 0.00 C ATOM 88 C LYS A 6 -0.209 11.215 -1.945 1.00 0.00 C ATOM 89 O LYS A 6 -0.591 10.104 -2.295 1.00 0.00 O ATOM 90 CB LYS A 6 -1.924 12.996 -1.740 1.00 0.00 C ATOM 91 CG LYS A 6 -2.516 14.304 -2.251 1.00 0.00 C ATOM 92 CD LYS A 6 -3.541 14.883 -1.277 1.00 0.00 C ATOM 93 CE LYS A 6 -4.713 13.937 -1.048 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.718 14.505 -0.124 1.00 0.00 N ATOM 0 H LYS A 6 -1.862 11.323 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.024 13.224 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.716 12.249 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.562 13.149 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.716 15.027 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.989 14.135 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.056 15.095 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.912 15.832 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.187 13.711 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.343 12.994 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.496 13.827 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.274 14.697 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.092 15.391 -0.520 1.00 0.00 H new ATOM 108 N TYR A 7 0.687 11.398 -1.025 1.00 0.00 N ATOM 109 CA TYR A 7 1.317 10.284 -0.371 1.00 0.00 C ATOM 110 C TYR A 7 0.693 10.012 0.965 1.00 0.00 C ATOM 111 O TYR A 7 0.524 10.921 1.786 1.00 0.00 O ATOM 112 CB TYR A 7 2.809 10.513 -0.206 1.00 0.00 C ATOM 113 CG TYR A 7 3.566 10.582 -1.502 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.049 9.430 -2.102 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.794 11.794 -2.131 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.739 9.487 -3.291 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.480 11.860 -3.318 1.00 0.00 C ATOM 118 CZ TYR A 7 4.950 10.704 -3.892 1.00 0.00 C ATOM 119 OH TYR A 7 5.618 10.765 -5.083 1.00 0.00 O ATOM 0 H TYR A 7 1.003 12.314 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 7 1.167 9.413 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.965 11.442 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.224 9.709 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.881 8.473 -1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.426 12.703 -1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.112 8.582 -3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.649 12.813 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 7 5.460 9.941 -5.589 1.00 0.00 H new ATOM 129 N VAL A 8 0.345 8.782 1.172 1.00 0.00 N ATOM 130 CA VAL A 8 -0.225 8.326 2.412 1.00 0.00 C ATOM 131 C VAL A 8 0.538 7.088 2.839 1.00 0.00 C ATOM 132 O VAL A 8 1.421 6.617 2.108 1.00 0.00 O ATOM 133 CB VAL A 8 -1.747 7.981 2.286 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.550 9.163 1.753 1.00 0.00 C ATOM 135 CG2 VAL A 8 -1.973 6.745 1.427 1.00 0.00 C ATOM 0 H VAL A 8 0.449 8.047 0.473 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.144 9.127 3.147 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.105 7.760 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.601 8.885 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.445 10.010 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.178 9.440 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.041 6.537 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.576 6.920 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.464 5.892 1.875 1.00 0.00 H new ATOM 145 N TYR A 9 0.224 6.571 3.978 1.00 0.00 N ATOM 146 CA TYR A 9 0.859 5.387 4.463 1.00 0.00 C ATOM 147 C TYR A 9 -0.154 4.301 4.618 1.00 0.00 C ATOM 148 O TYR A 9 -1.260 4.539 5.076 1.00 0.00 O ATOM 149 CB TYR A 9 1.549 5.632 5.797 1.00 0.00 C ATOM 150 CG TYR A 9 2.747 6.538 5.734 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.603 7.914 5.779 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.031 6.013 5.652 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.694 8.740 5.743 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.132 6.840 5.613 1.00 0.00 C ATOM 155 CZ TYR A 9 4.954 8.203 5.660 1.00 0.00 C ATOM 156 OH TYR A 9 6.043 9.042 5.636 1.00 0.00 O ATOM 0 H TYR A 9 -0.483 6.957 4.604 1.00 0.00 H new ATOM 0 HA TYR A 9 1.617 5.090 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.825 6.059 6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.859 4.672 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.614 8.343 5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.168 4.942 5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.563 9.811 5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.126 6.422 5.546 1.00 0.00 H new ATOM 0 HH TYR A 9 6.864 8.510 5.576 1.00 0.00 H new ATOM 166 N ILE A 10 0.188 3.131 4.216 1.00 0.00 N ATOM 167 CA ILE A 10 -0.691 2.021 4.405 1.00 0.00 C ATOM 168 C ILE A 10 -0.409 1.419 5.764 1.00 0.00 C ATOM 169 O ILE A 10 0.753 1.092 6.089 1.00 0.00 O ATOM 170 CB ILE A 10 -0.547 0.948 3.287 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.786 1.566 1.899 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.475 -0.251 3.516 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.135 2.243 1.736 1.00 0.00 C ATOM 0 H ILE A 10 1.070 2.911 3.753 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.719 2.378 4.350 1.00 0.00 H new ATOM 0 HB ILE A 10 0.477 0.577 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.001 2.295 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.693 0.784 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.340 -0.974 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.234 -0.720 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.511 0.088 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.218 2.650 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.930 1.515 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.227 3.050 2.462 1.00 0.00 H new ATOM 185 N ASP A 11 -1.444 1.318 6.565 1.00 0.00 N ATOM 186 CA ASP A 11 -1.357 0.751 7.887 1.00 0.00 C ATOM 187 C ASP A 11 -1.219 -0.743 7.772 1.00 0.00 C ATOM 188 O ASP A 11 -2.196 -1.486 7.608 1.00 0.00 O ATOM 189 CB ASP A 11 -2.559 1.168 8.773 1.00 0.00 C ATOM 190 CG ASP A 11 -2.611 0.491 10.154 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.850 0.881 11.073 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.471 -0.383 10.356 1.00 0.00 O ATOM 0 H ASP A 11 -2.381 1.632 6.312 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.473 1.144 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.530 2.248 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.482 0.942 8.238 1.00 0.00 H new ATOM 197 N LEU A 12 0.021 -1.147 7.678 1.00 0.00 N ATOM 198 CA LEU A 12 0.388 -2.533 7.655 1.00 0.00 C ATOM 199 C LEU A 12 0.297 -3.018 9.079 1.00 0.00 C ATOM 200 O LEU A 12 -0.028 -4.173 9.349 1.00 0.00 O ATOM 201 CB LEU A 12 1.829 -2.666 7.159 1.00 0.00 C ATOM 202 CG LEU A 12 2.173 -1.962 5.837 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.660 -2.078 5.555 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.362 -2.535 4.679 1.00 0.00 C ATOM 0 H LEU A 12 0.815 -0.509 7.614 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.260 -3.111 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.492 -2.279 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.054 -3.727 7.048 1.00 0.00 H new ATOM 0 HG LEU A 12 1.913 -0.908 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.893 -1.576 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.221 -1.612 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.935 -3.130 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.627 -2.017 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.580 -3.598 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.299 -2.400 4.878 1.00 0.00 H new ATOM 216 N ASN A 13 0.658 -2.090 9.984 1.00 0.00 N ATOM 217 CA ASN A 13 0.561 -2.224 11.451 1.00 0.00 C ATOM 218 C ASN A 13 1.585 -3.222 12.015 1.00 0.00 C ATOM 219 O ASN A 13 1.776 -3.326 13.219 1.00 0.00 O ATOM 220 CB ASN A 13 -0.879 -2.590 11.873 1.00 0.00 C ATOM 221 CG ASN A 13 -1.155 -2.326 13.338 1.00 0.00 C ATOM 222 OD1 ASN A 13 -1.655 -1.149 13.627 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -0.930 -3.175 14.202 1.00 0.00 N flip ATOM 0 H ASN A 13 1.042 -1.188 9.702 1.00 0.00 H new ATOM 0 HA ASN A 13 0.806 -1.253 11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.584 -2.020 11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.056 -3.644 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.540 -4.080 13.938 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.133 -2.973 15.181 1.00 0.00 H new ATOM 230 N ASN A 14 2.301 -3.871 11.129 1.00 0.00 N ATOM 231 CA ASN A 14 3.274 -4.917 11.466 1.00 0.00 C ATOM 232 C ASN A 14 4.649 -4.343 11.836 1.00 0.00 C ATOM 233 O ASN A 14 5.652 -5.055 11.848 1.00 0.00 O ATOM 234 CB ASN A 14 3.392 -5.945 10.312 1.00 0.00 C ATOM 235 CG ASN A 14 3.705 -5.318 8.953 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.332 -4.266 8.858 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.257 -5.949 7.896 1.00 0.00 N ATOM 0 H ASN A 14 2.232 -3.693 10.127 1.00 0.00 H new ATOM 0 HA ASN A 14 2.900 -5.429 12.353 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.173 -6.664 10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.458 -6.502 10.238 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.426 -5.568 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.739 -6.821 8.004 1.00 0.00 H new ATOM 244 N GLY A 15 4.666 -3.084 12.200 1.00 0.00 N ATOM 245 CA GLY A 15 5.897 -2.429 12.610 1.00 0.00 C ATOM 246 C GLY A 15 6.469 -1.521 11.546 1.00 0.00 C ATOM 247 O GLY A 15 7.328 -0.698 11.829 1.00 0.00 O ATOM 0 H GLY A 15 3.841 -2.485 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.709 -1.847 13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.636 -3.187 12.868 1.00 0.00 H new ATOM 251 N LYS A 16 5.989 -1.649 10.339 1.00 0.00 N ATOM 252 CA LYS A 16 6.400 -0.772 9.262 1.00 0.00 C ATOM 253 C LYS A 16 5.202 -0.326 8.482 1.00 0.00 C ATOM 254 O LYS A 16 4.143 -0.960 8.551 1.00 0.00 O ATOM 255 CB LYS A 16 7.495 -1.367 8.324 1.00 0.00 C ATOM 256 CG LYS A 16 7.242 -2.763 7.751 1.00 0.00 C ATOM 257 CD LYS A 16 7.592 -3.852 8.760 1.00 0.00 C ATOM 258 CE LYS A 16 7.362 -5.245 8.204 1.00 0.00 C ATOM 259 NZ LYS A 16 8.220 -5.524 7.038 1.00 0.00 N ATOM 0 H LYS A 16 5.306 -2.357 10.069 1.00 0.00 H new ATOM 0 HA LYS A 16 6.876 0.087 9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.635 -0.680 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.435 -1.394 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.195 -2.855 7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.835 -2.899 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.636 -3.749 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.991 -3.718 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.557 -5.983 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.316 -5.353 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.184 -6.539 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.882 -4.978 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.200 -5.252 7.255 1.00 0.00 H new ATOM 273 N TYR A 17 5.339 0.776 7.793 1.00 0.00 N ATOM 274 CA TYR A 17 4.266 1.360 7.003 1.00 0.00 C ATOM 275 C TYR A 17 4.794 1.692 5.637 1.00 0.00 C ATOM 276 O TYR A 17 5.920 2.118 5.507 1.00 0.00 O ATOM 277 CB TYR A 17 3.704 2.642 7.669 1.00 0.00 C ATOM 278 CG TYR A 17 2.791 2.419 8.870 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.198 1.673 9.960 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.510 2.953 8.895 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.376 1.464 11.031 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.679 2.752 9.978 1.00 0.00 C ATOM 283 CZ TYR A 17 1.123 2.001 11.041 1.00 0.00 C ATOM 284 OH TYR A 17 0.313 1.794 12.131 1.00 0.00 O ATOM 0 H TYR A 17 6.209 1.308 7.759 1.00 0.00 H new ATOM 0 HA TYR A 17 3.453 0.637 6.933 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.543 3.263 7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.153 3.208 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.190 1.245 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.159 3.534 8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.718 0.874 11.868 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.312 3.181 9.991 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.619 1.722 11.837 1.00 0.00 H new ATOM 294 N VAL A 18 4.001 1.503 4.638 1.00 0.00 N ATOM 295 CA VAL A 18 4.430 1.787 3.285 1.00 0.00 C ATOM 296 C VAL A 18 3.878 3.122 2.831 1.00 0.00 C ATOM 297 O VAL A 18 2.696 3.411 3.025 1.00 0.00 O ATOM 298 CB VAL A 18 4.044 0.636 2.291 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.600 0.260 2.428 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.323 1.025 0.852 1.00 0.00 C ATOM 0 H VAL A 18 3.047 1.152 4.719 1.00 0.00 H new ATOM 0 HA VAL A 18 5.518 1.845 3.283 1.00 0.00 H new ATOM 0 HB VAL A 18 4.664 -0.222 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.364 -0.540 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.408 -0.082 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.976 1.127 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.043 0.204 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.742 1.911 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.385 1.241 0.733 1.00 0.00 H new ATOM 310 N LYS A 19 4.739 3.941 2.276 1.00 0.00 N ATOM 311 CA LYS A 19 4.343 5.234 1.794 1.00 0.00 C ATOM 312 C LYS A 19 4.009 5.113 0.323 1.00 0.00 C ATOM 313 O LYS A 19 4.893 4.889 -0.517 1.00 0.00 O ATOM 314 CB LYS A 19 5.446 6.271 2.031 1.00 0.00 C ATOM 315 CG LYS A 19 5.058 7.688 1.636 1.00 0.00 C ATOM 316 CD LYS A 19 6.162 8.678 1.956 1.00 0.00 C ATOM 317 CE LYS A 19 5.772 10.084 1.531 1.00 0.00 C ATOM 318 NZ LYS A 19 6.811 11.085 1.842 1.00 0.00 N ATOM 0 H LYS A 19 5.728 3.728 2.148 1.00 0.00 H new ATOM 0 HA LYS A 19 3.465 5.578 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.719 6.261 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.333 5.978 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.836 7.721 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.147 7.976 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.371 8.662 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.080 8.382 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.575 10.093 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.843 10.364 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.492 12.025 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.983 11.100 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.691 10.837 1.347 1.00 0.00 H new ATOM 332 N VAL A 20 2.756 5.241 0.017 1.00 0.00 N ATOM 333 CA VAL A 20 2.278 5.052 -1.319 1.00 0.00 C ATOM 334 C VAL A 20 1.573 6.322 -1.794 1.00 0.00 C ATOM 335 O VAL A 20 1.041 7.092 -0.989 1.00 0.00 O ATOM 336 CB VAL A 20 1.307 3.820 -1.381 1.00 0.00 C ATOM 337 CG1 VAL A 20 0.035 4.066 -0.585 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.977 3.410 -2.811 1.00 0.00 C ATOM 0 H VAL A 20 2.030 5.481 0.691 1.00 0.00 H new ATOM 0 HA VAL A 20 3.122 4.850 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 20 1.840 2.989 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.611 3.191 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.289 4.250 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.486 4.934 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.303 2.554 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.497 4.242 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.895 3.141 -3.333 1.00 0.00 H new ATOM 348 N ARG A 21 1.610 6.559 -3.074 1.00 0.00 N ATOM 349 CA ARG A 21 0.922 7.672 -3.656 1.00 0.00 C ATOM 350 C ARG A 21 -0.458 7.223 -4.104 1.00 0.00 C ATOM 351 O ARG A 21 -0.599 6.210 -4.813 1.00 0.00 O ATOM 352 CB ARG A 21 1.693 8.252 -4.864 1.00 0.00 C ATOM 353 CG ARG A 21 0.936 9.371 -5.574 1.00 0.00 C ATOM 354 CD ARG A 21 1.600 9.819 -6.874 1.00 0.00 C ATOM 355 NE ARG A 21 2.866 10.544 -6.683 1.00 0.00 N ATOM 356 CZ ARG A 21 3.280 11.568 -7.466 1.00 0.00 C ATOM 357 NH1 ARG A 21 2.541 11.976 -8.502 1.00 0.00 N ATOM 358 NH2 ARG A 21 4.439 12.149 -7.231 1.00 0.00 N ATOM 0 H ARG A 21 2.120 5.983 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 21 0.843 8.456 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.657 8.632 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.898 7.452 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.078 9.034 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.852 10.226 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.786 8.943 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.907 10.457 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 21 3.470 10.257 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.655 11.515 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.863 12.749 -9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.024 11.827 -6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.752 12.920 -7.820 1.00 0.00 H new ATOM 372 N ILE A 22 -1.450 7.932 -3.655 1.00 0.00 N ATOM 373 CA ILE A 22 -2.798 7.729 -4.091 1.00 0.00 C ATOM 374 C ILE A 22 -2.912 8.436 -5.412 1.00 0.00 C ATOM 375 O ILE A 22 -2.679 9.662 -5.476 1.00 0.00 O ATOM 376 CB ILE A 22 -3.832 8.356 -3.108 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.675 7.793 -1.685 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.270 8.177 -3.616 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.820 6.292 -1.579 1.00 0.00 C ATOM 0 H ILE A 22 -1.344 8.677 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.011 6.662 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.625 9.425 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.695 8.077 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.417 8.262 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.965 8.626 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.377 8.664 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.491 7.114 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.694 5.987 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.810 5.997 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.061 5.809 -2.194 1.00 0.00 H new ATOM 391 N LEU A 23 -3.194 7.700 -6.446 1.00 0.00 N ATOM 392 CA LEU A 23 -3.329 8.275 -7.741 1.00 0.00 C ATOM 393 C LEU A 23 -4.732 8.768 -7.870 1.00 0.00 C ATOM 394 O LEU A 23 -5.686 7.978 -7.952 1.00 0.00 O ATOM 395 CB LEU A 23 -3.031 7.246 -8.844 1.00 0.00 C ATOM 396 CG LEU A 23 -1.645 6.599 -8.820 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.522 5.579 -9.939 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.557 7.650 -8.946 1.00 0.00 C ATOM 0 H LEU A 23 -3.335 6.690 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.615 9.090 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.778 6.454 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.163 7.734 -9.810 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.521 6.091 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.531 5.126 -9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.279 4.805 -9.811 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.668 6.073 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.420 7.167 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.677 8.187 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.631 8.352 -8.115 1.00 0.00 H new ATOM 410 N LYS A 24 -4.865 10.044 -7.878 1.00 0.00 N ATOM 411 CA LYS A 24 -6.130 10.657 -7.989 1.00 0.00 C ATOM 412 C LYS A 24 -6.208 11.160 -9.400 1.00 0.00 C ATOM 413 O LYS A 24 -5.512 12.093 -9.774 1.00 0.00 O ATOM 414 CB LYS A 24 -6.205 11.828 -7.000 1.00 0.00 C ATOM 415 CG LYS A 24 -7.584 12.438 -6.815 1.00 0.00 C ATOM 416 CD LYS A 24 -8.505 11.528 -6.016 1.00 0.00 C ATOM 417 CE LYS A 24 -9.860 12.179 -5.805 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.699 11.421 -4.860 1.00 0.00 N ATOM 0 H LYS A 24 -4.085 10.698 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.949 9.974 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.845 11.486 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.523 12.609 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.491 13.397 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.027 12.636 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.630 10.580 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.052 11.302 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.720 13.193 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.375 12.260 -6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.685 11.744 -4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.648 10.407 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.357 11.576 -3.890 1.00 0.00 H new ATOM 432 N SER A 25 -6.972 10.517 -10.201 1.00 0.00 N ATOM 433 CA SER A 25 -7.079 10.910 -11.553 1.00 0.00 C ATOM 434 C SER A 25 -8.516 11.198 -11.901 1.00 0.00 C ATOM 435 O SER A 25 -9.214 10.394 -12.562 1.00 0.00 O ATOM 436 CB SER A 25 -6.455 9.860 -12.464 1.00 0.00 C ATOM 437 OG SER A 25 -5.144 9.550 -12.017 1.00 0.00 O ATOM 0 H SER A 25 -7.537 9.709 -9.940 1.00 0.00 H new ATOM 0 HA SER A 25 -6.521 11.834 -11.706 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.069 8.959 -12.469 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.421 10.229 -13.489 1.00 0.00 H new ATOM 0 HG SER A 25 -4.749 8.874 -12.606 1.00 0.00 H new ATOM 443 N ARG A 26 -8.981 12.323 -11.398 1.00 0.00 N ATOM 444 CA ARG A 26 -10.316 12.792 -11.659 1.00 0.00 C ATOM 445 C ARG A 26 -10.423 13.115 -13.129 1.00 0.00 C ATOM 446 O ARG A 26 -11.455 12.892 -13.755 1.00 0.00 O ATOM 447 CB ARG A 26 -10.595 14.043 -10.831 1.00 0.00 C ATOM 448 CG ARG A 26 -11.985 14.624 -11.000 1.00 0.00 C ATOM 449 CD ARG A 26 -13.051 13.706 -10.447 1.00 0.00 C ATOM 450 NE ARG A 26 -14.376 14.270 -10.649 1.00 0.00 N ATOM 451 CZ ARG A 26 -15.368 14.259 -9.761 1.00 0.00 C ATOM 452 NH1 ARG A 26 -15.214 13.654 -8.578 1.00 0.00 N ATOM 453 NH2 ARG A 26 -16.522 14.827 -10.068 1.00 0.00 N ATOM 0 H ARG A 26 -8.436 12.938 -10.794 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.044 12.027 -11.389 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.442 13.806 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.863 14.807 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.039 15.589 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.176 14.807 -12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.987 12.733 -10.934 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.879 13.542 -9.383 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.562 14.712 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.331 13.196 -8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.979 13.650 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.647 15.269 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.288 14.823 -9.394 1.00 0.00 H new ATOM 467 N ASP A 27 -9.309 13.559 -13.662 1.00 0.00 N ATOM 468 CA ASP A 27 -9.171 13.999 -15.034 1.00 0.00 C ATOM 469 C ASP A 27 -9.326 12.840 -16.019 1.00 0.00 C ATOM 470 O ASP A 27 -9.891 13.019 -17.098 1.00 0.00 O ATOM 471 CB ASP A 27 -7.800 14.667 -15.225 1.00 0.00 C ATOM 472 CG ASP A 27 -6.630 13.696 -15.149 1.00 0.00 C ATOM 473 OD1 ASP A 27 -6.486 12.979 -14.132 1.00 0.00 O ATOM 474 OD2 ASP A 27 -5.829 13.655 -16.106 1.00 0.00 O ATOM 0 H ASP A 27 -8.440 13.627 -13.133 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.966 14.716 -15.239 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.782 15.169 -16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.672 15.437 -14.464 1.00 0.00 H new ATOM 479 N ASP A 28 -8.821 11.663 -15.654 1.00 0.00 N ATOM 480 CA ASP A 28 -8.915 10.498 -16.532 1.00 0.00 C ATOM 481 C ASP A 28 -10.354 10.048 -16.625 1.00 0.00 C ATOM 482 O ASP A 28 -10.941 10.047 -17.711 1.00 0.00 O ATOM 483 CB ASP A 28 -8.026 9.343 -16.054 1.00 0.00 C ATOM 484 CG ASP A 28 -8.038 8.173 -17.032 1.00 0.00 C ATOM 485 OD1 ASP A 28 -7.339 8.237 -18.059 1.00 0.00 O ATOM 486 OD2 ASP A 28 -8.728 7.159 -16.788 1.00 0.00 O ATOM 0 H ASP A 28 -8.348 11.491 -14.767 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.557 10.792 -17.519 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.004 9.700 -15.928 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.368 9.003 -15.077 1.00 0.00 H new ATOM 491 N ASN A 29 -10.912 9.696 -15.474 1.00 0.00 N ATOM 492 CA ASN A 29 -12.323 9.313 -15.324 1.00 0.00 C ATOM 493 C ASN A 29 -12.610 8.998 -13.860 1.00 0.00 C ATOM 494 O ASN A 29 -12.907 7.852 -13.502 1.00 0.00 O ATOM 495 CB ASN A 29 -12.725 8.087 -16.192 1.00 0.00 C ATOM 496 CG ASN A 29 -14.199 7.713 -16.009 1.00 0.00 C ATOM 497 OD1 ASN A 29 -15.055 8.573 -15.823 1.00 0.00 O ATOM 498 ND2 ASN A 29 -14.488 6.445 -15.986 1.00 0.00 N ATOM 0 H ASN A 29 -10.392 9.666 -14.597 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.915 10.160 -15.670 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.535 8.308 -17.242 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.099 7.235 -15.927 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.446 6.143 -15.810 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.756 5.752 -16.144 1.00 0.00 H new ATOM 505 N SER A 30 -12.420 9.994 -12.989 1.00 0.00 N ATOM 506 CA SER A 30 -12.709 9.832 -11.548 1.00 0.00 C ATOM 507 C SER A 30 -11.935 8.647 -10.916 1.00 0.00 C ATOM 508 O SER A 30 -12.314 8.128 -9.874 1.00 0.00 O ATOM 509 CB SER A 30 -14.227 9.669 -11.371 1.00 0.00 C ATOM 510 OG SER A 30 -14.909 10.852 -11.797 1.00 0.00 O ATOM 0 H SER A 30 -12.070 10.917 -13.247 1.00 0.00 H new ATOM 0 HA SER A 30 -12.367 10.722 -11.020 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.577 8.813 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.458 9.465 -10.325 1.00 0.00 H new ATOM 0 HG SER A 30 -15.875 10.733 -11.680 1.00 0.00 H new ATOM 516 N VAL A 31 -10.806 8.329 -11.508 1.00 0.00 N ATOM 517 CA VAL A 31 -10.031 7.151 -11.170 1.00 0.00 C ATOM 518 C VAL A 31 -9.257 7.351 -9.882 1.00 0.00 C ATOM 519 O VAL A 31 -8.572 8.367 -9.708 1.00 0.00 O ATOM 520 CB VAL A 31 -9.041 6.788 -12.316 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.230 5.548 -11.991 1.00 0.00 C ATOM 522 CG2 VAL A 31 -9.771 6.602 -13.626 1.00 0.00 C ATOM 0 H VAL A 31 -10.391 8.890 -12.252 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.736 6.331 -11.032 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.350 7.625 -12.415 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.552 5.330 -12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.652 5.719 -11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.902 4.703 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.056 6.349 -14.409 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.499 5.797 -13.526 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.286 7.526 -13.890 1.00 0.00 H new ATOM 532 N GLU A 32 -9.399 6.408 -8.984 1.00 0.00 N ATOM 533 CA GLU A 32 -8.681 6.408 -7.735 1.00 0.00 C ATOM 534 C GLU A 32 -7.949 5.096 -7.623 1.00 0.00 C ATOM 535 O GLU A 32 -8.526 4.068 -7.234 1.00 0.00 O ATOM 536 CB GLU A 32 -9.638 6.597 -6.553 1.00 0.00 C ATOM 537 CG GLU A 32 -10.507 7.813 -6.727 1.00 0.00 C ATOM 538 CD GLU A 32 -11.521 8.023 -5.647 1.00 0.00 C ATOM 539 OE1 GLU A 32 -12.583 7.366 -5.670 1.00 0.00 O ATOM 540 OE2 GLU A 32 -11.316 8.891 -4.800 1.00 0.00 O ATOM 0 H GLU A 32 -10.024 5.610 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.974 7.237 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.267 5.713 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.064 6.690 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.867 8.694 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.026 7.737 -7.683 1.00 0.00 H new ATOM 547 N LYS A 33 -6.719 5.093 -8.051 1.00 0.00 N ATOM 548 CA LYS A 33 -5.914 3.913 -7.971 1.00 0.00 C ATOM 549 C LYS A 33 -4.678 4.216 -7.191 1.00 0.00 C ATOM 550 O LYS A 33 -4.527 5.316 -6.678 1.00 0.00 O ATOM 551 CB LYS A 33 -5.611 3.263 -9.337 1.00 0.00 C ATOM 552 CG LYS A 33 -6.866 2.813 -10.089 1.00 0.00 C ATOM 553 CD LYS A 33 -6.570 1.773 -11.167 1.00 0.00 C ATOM 554 CE LYS A 33 -6.192 0.413 -10.560 1.00 0.00 C ATOM 555 NZ LYS A 33 -7.287 -0.147 -9.719 1.00 0.00 N ATOM 0 H LYS A 33 -6.251 5.901 -8.461 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.493 3.153 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.062 3.973 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.960 2.402 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.581 2.399 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.339 3.681 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.444 1.655 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.756 2.127 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.955 -0.288 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.291 0.523 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.189 -1.181 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.231 0.256 -8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.207 0.092 -10.142 1.00 0.00 H new ATOM 569 N TYR A 34 -3.805 3.271 -7.067 1.00 0.00 N ATOM 570 CA TYR A 34 -2.696 3.418 -6.173 1.00 0.00 C ATOM 571 C TYR A 34 -1.431 3.093 -6.932 1.00 0.00 C ATOM 572 O TYR A 34 -1.461 2.277 -7.856 1.00 0.00 O ATOM 573 CB TYR A 34 -2.944 2.514 -4.935 1.00 0.00 C ATOM 574 CG TYR A 34 -4.388 2.684 -4.431 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.782 3.828 -3.748 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.372 1.745 -4.734 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.108 4.024 -3.372 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.688 1.943 -4.372 1.00 0.00 C ATOM 579 CZ TYR A 34 -7.047 3.079 -3.695 1.00 0.00 C ATOM 580 OH TYR A 34 -8.361 3.265 -3.335 1.00 0.00 O ATOM 0 H TYR A 34 -3.835 2.386 -7.573 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.587 4.436 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.763 1.471 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.242 2.771 -4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.046 4.579 -3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.099 0.844 -5.263 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.395 4.913 -2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.435 1.204 -4.622 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.895 2.502 -3.641 1.00 0.00 H new ATOM 590 N VAL A 35 -0.356 3.768 -6.594 1.00 0.00 N ATOM 591 CA VAL A 35 0.880 3.668 -7.352 1.00 0.00 C ATOM 592 C VAL A 35 1.625 2.324 -7.089 1.00 0.00 C ATOM 593 O VAL A 35 1.341 1.615 -6.134 1.00 0.00 O ATOM 594 CB VAL A 35 1.794 4.905 -7.088 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.476 4.819 -5.756 1.00 0.00 C ATOM 596 CG2 VAL A 35 2.782 5.177 -8.216 1.00 0.00 C ATOM 0 H VAL A 35 -0.309 4.398 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 35 0.618 3.669 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 35 1.129 5.768 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.103 5.699 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.727 4.773 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.095 3.923 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.386 6.050 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.432 4.312 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.236 5.364 -9.141 1.00 0.00 H new ATOM 606 N LEU A 36 2.598 2.044 -7.935 1.00 0.00 N ATOM 607 CA LEU A 36 3.325 0.797 -7.985 1.00 0.00 C ATOM 608 C LEU A 36 4.413 0.631 -6.914 1.00 0.00 C ATOM 609 O LEU A 36 5.041 -0.437 -6.847 1.00 0.00 O ATOM 610 CB LEU A 36 3.937 0.585 -9.390 1.00 0.00 C ATOM 611 CG LEU A 36 2.967 0.494 -10.601 1.00 0.00 C ATOM 612 CD1 LEU A 36 1.822 -0.462 -10.330 1.00 0.00 C ATOM 613 CD2 LEU A 36 2.456 1.867 -11.047 1.00 0.00 C ATOM 0 H LEU A 36 2.915 2.713 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 36 2.581 0.031 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.631 1.404 -9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.525 -0.332 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 36 3.546 0.090 -11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.165 -0.499 -11.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.219 -1.458 -10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.258 -0.117 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.783 1.747 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.921 2.341 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.300 2.492 -11.339 1.00 0.00 H new ATOM 625 N THR A 37 4.660 1.635 -6.093 1.00 0.00 N ATOM 626 CA THR A 37 5.751 1.502 -5.153 1.00 0.00 C ATOM 627 C THR A 37 5.242 0.884 -3.858 1.00 0.00 C ATOM 628 O THR A 37 4.081 1.045 -3.474 1.00 0.00 O ATOM 629 CB THR A 37 6.459 2.882 -4.855 1.00 0.00 C ATOM 630 OG1 THR A 37 7.613 2.701 -4.015 1.00 0.00 O ATOM 631 CG2 THR A 37 5.525 3.871 -4.174 1.00 0.00 C ATOM 0 H THR A 37 4.144 2.514 -6.057 1.00 0.00 H new ATOM 0 HA THR A 37 6.497 0.850 -5.607 1.00 0.00 H new ATOM 0 HB THR A 37 6.758 3.283 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.034 3.570 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.056 4.805 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.666 4.063 -4.818 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.182 3.455 -3.227 1.00 0.00 H new ATOM 639 N SER A 38 6.104 0.145 -3.225 1.00 0.00 N ATOM 640 CA SER A 38 5.795 -0.510 -1.993 1.00 0.00 C ATOM 641 C SER A 38 6.892 -0.229 -0.957 1.00 0.00 C ATOM 642 O SER A 38 7.098 -1.003 -0.030 1.00 0.00 O ATOM 643 CB SER A 38 5.621 -1.997 -2.253 1.00 0.00 C ATOM 644 OG SER A 38 4.648 -2.212 -3.273 1.00 0.00 O ATOM 0 H SER A 38 7.054 -0.021 -3.556 1.00 0.00 H new ATOM 0 HA SER A 38 4.861 -0.124 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.574 -2.434 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.313 -2.500 -1.336 1.00 0.00 H new ATOM 0 HG SER A 38 4.547 -3.174 -3.431 1.00 0.00 H new ATOM 650 N HIS A 39 7.580 0.895 -1.133 1.00 0.00 N ATOM 651 CA HIS A 39 8.671 1.289 -0.230 1.00 0.00 C ATOM 652 C HIS A 39 8.181 1.495 1.201 1.00 0.00 C ATOM 653 O HIS A 39 7.331 2.364 1.475 1.00 0.00 O ATOM 654 CB HIS A 39 9.404 2.540 -0.732 1.00 0.00 C ATOM 655 CG HIS A 39 10.324 2.301 -1.898 1.00 0.00 C ATOM 656 ND1 HIS A 39 11.477 3.017 -2.093 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.248 1.429 -2.933 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.074 2.601 -3.193 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.347 1.635 -3.721 1.00 0.00 N ATOM 0 H HIS A 39 7.406 1.554 -1.892 1.00 0.00 H new ATOM 0 HA HIS A 39 9.381 0.462 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.665 3.288 -1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.983 2.961 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.465 0.705 -3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.000 2.986 -3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.568 1.125 -4.576 1.00 0.00 H new ATOM 668 N VAL A 40 8.717 0.709 2.100 1.00 0.00 N ATOM 669 CA VAL A 40 8.320 0.747 3.483 1.00 0.00 C ATOM 670 C VAL A 40 9.206 1.630 4.334 1.00 0.00 C ATOM 671 O VAL A 40 10.423 1.694 4.153 1.00 0.00 O ATOM 672 CB VAL A 40 8.171 -0.662 4.131 1.00 0.00 C ATOM 673 CG1 VAL A 40 6.892 -1.311 3.664 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.354 -1.569 3.791 1.00 0.00 C ATOM 0 H VAL A 40 9.443 0.023 1.892 1.00 0.00 H new ATOM 0 HA VAL A 40 7.327 1.197 3.460 1.00 0.00 H new ATOM 0 HB VAL A 40 8.147 -0.526 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.795 -2.296 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.043 -0.692 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.912 -1.415 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.213 -2.542 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.418 -1.694 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.276 -1.118 4.159 1.00 0.00 H new ATOM 684 N SER A 41 8.566 2.321 5.227 1.00 0.00 N ATOM 685 CA SER A 41 9.181 3.185 6.179 1.00 0.00 C ATOM 686 C SER A 41 9.148 2.458 7.529 1.00 0.00 C ATOM 687 O SER A 41 8.132 1.831 7.878 1.00 0.00 O ATOM 688 CB SER A 41 8.380 4.485 6.226 1.00 0.00 C ATOM 689 OG SER A 41 8.205 4.983 4.900 1.00 0.00 O ATOM 0 H SER A 41 7.550 2.294 5.313 1.00 0.00 H new ATOM 0 HA SER A 41 10.212 3.427 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.410 4.311 6.692 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.899 5.223 6.838 1.00 0.00 H new ATOM 0 HG SER A 41 7.987 5.938 4.935 1.00 0.00 H new ATOM 695 N LYS A 42 10.225 2.542 8.268 1.00 0.00 N ATOM 696 CA LYS A 42 10.405 1.764 9.491 1.00 0.00 C ATOM 697 C LYS A 42 9.813 2.441 10.743 1.00 0.00 C ATOM 698 O LYS A 42 10.071 2.005 11.871 1.00 0.00 O ATOM 699 CB LYS A 42 11.903 1.461 9.685 1.00 0.00 C ATOM 700 CG LYS A 42 12.776 2.707 9.792 1.00 0.00 C ATOM 701 CD LYS A 42 14.266 2.385 9.853 1.00 0.00 C ATOM 702 CE LYS A 42 14.780 1.775 8.547 1.00 0.00 C ATOM 703 NZ LYS A 42 16.256 1.627 8.551 1.00 0.00 N ATOM 0 H LYS A 42 11.012 3.152 8.046 1.00 0.00 H new ATOM 0 HA LYS A 42 9.848 0.835 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.029 0.862 10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.252 0.855 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.584 3.354 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.494 3.267 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.824 3.296 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.453 1.692 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.317 0.800 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.480 2.404 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.566 1.211 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.698 2.561 8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.540 1.006 9.335 1.00 0.00 H new ATOM 717 N ASN A 43 9.032 3.488 10.561 1.00 0.00 N ATOM 718 CA ASN A 43 8.401 4.181 11.691 1.00 0.00 C ATOM 719 C ASN A 43 6.965 4.519 11.367 1.00 0.00 C ATOM 720 O ASN A 43 6.638 4.819 10.212 1.00 0.00 O ATOM 721 CB ASN A 43 9.147 5.475 12.072 1.00 0.00 C ATOM 722 CG ASN A 43 10.554 5.246 12.572 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.780 5.038 13.767 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.506 5.303 11.689 1.00 0.00 N ATOM 0 H ASN A 43 8.813 3.885 9.647 1.00 0.00 H new ATOM 0 HA ASN A 43 8.444 3.500 12.541 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.183 6.131 11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.579 5.997 12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.476 5.174 11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.283 5.477 10.709 1.00 0.00 H new ATOM 731 N ARG A 44 6.113 4.491 12.374 1.00 0.00 N ATOM 732 CA ARG A 44 4.706 4.804 12.199 1.00 0.00 C ATOM 733 C ARG A 44 4.516 6.304 12.157 1.00 0.00 C ATOM 734 O ARG A 44 5.092 7.018 12.967 1.00 0.00 O ATOM 735 CB ARG A 44 3.860 4.248 13.345 1.00 0.00 C ATOM 736 CG ARG A 44 4.034 2.774 13.596 1.00 0.00 C ATOM 737 CD ARG A 44 2.982 2.257 14.558 1.00 0.00 C ATOM 738 NE ARG A 44 3.196 0.851 14.889 1.00 0.00 N ATOM 739 CZ ARG A 44 2.286 -0.127 14.793 1.00 0.00 C ATOM 740 NH1 ARG A 44 1.122 0.075 14.161 1.00 0.00 N ATOM 741 NH2 ARG A 44 2.572 -1.324 15.277 1.00 0.00 N ATOM 0 H ARG A 44 6.373 4.252 13.331 1.00 0.00 H new ATOM 0 HA ARG A 44 4.384 4.346 11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.107 4.790 14.258 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.809 4.445 13.132 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.968 2.231 12.653 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.028 2.586 14.003 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.000 2.852 15.471 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.993 2.380 14.116 1.00 0.00 H new ATOM 0 HE ARG A 44 4.123 0.590 15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.919 0.984 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.439 -0.680 14.096 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.477 -1.493 15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.888 -2.078 15.210 1.00 0.00 H new ATOM 755 N PRO A 45 3.762 6.812 11.200 1.00 0.00 N ATOM 756 CA PRO A 45 3.471 8.226 11.127 1.00 0.00 C ATOM 757 C PRO A 45 2.265 8.606 11.998 1.00 0.00 C ATOM 758 O PRO A 45 1.188 8.000 11.905 1.00 0.00 O ATOM 759 CB PRO A 45 3.159 8.439 9.657 1.00 0.00 C ATOM 760 CG PRO A 45 2.614 7.131 9.179 1.00 0.00 C ATOM 761 CD PRO A 45 3.155 6.061 10.090 1.00 0.00 C ATOM 0 HA PRO A 45 4.294 8.841 11.492 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.434 9.241 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.054 8.720 9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.524 7.138 9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.912 6.944 8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.364 5.399 10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.890 5.437 9.581 1.00 0.00 H new ATOM 769 N LYS A 46 2.450 9.589 12.835 1.00 0.00 N ATOM 770 CA LYS A 46 1.400 10.055 13.710 1.00 0.00 C ATOM 771 C LYS A 46 0.480 10.964 12.897 1.00 0.00 C ATOM 772 O LYS A 46 -0.720 10.705 12.769 1.00 0.00 O ATOM 773 CB LYS A 46 2.044 10.793 14.914 1.00 0.00 C ATOM 774 CG LYS A 46 1.141 11.111 16.112 1.00 0.00 C ATOM 775 CD LYS A 46 0.164 12.242 15.864 1.00 0.00 C ATOM 776 CE LYS A 46 -0.681 12.515 17.095 1.00 0.00 C ATOM 777 NZ LYS A 46 -1.601 13.648 16.897 1.00 0.00 N ATOM 0 H LYS A 46 3.332 10.092 12.933 1.00 0.00 H new ATOM 0 HA LYS A 46 0.806 9.232 14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.878 10.190 15.272 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.463 11.731 14.549 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.582 10.214 16.381 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.766 11.366 16.968 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.710 13.144 15.587 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.483 11.990 15.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.255 11.623 17.345 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.028 12.723 17.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.319 14.436 17.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.564 13.956 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.570 13.353 17.132 1.00 0.00 H new ATOM 791 N ASN A 47 1.057 11.982 12.302 1.00 0.00 N ATOM 792 CA ASN A 47 0.290 12.924 11.506 1.00 0.00 C ATOM 793 C ASN A 47 0.518 12.736 10.035 1.00 0.00 C ATOM 794 O ASN A 47 1.342 13.417 9.420 1.00 0.00 O ATOM 795 CB ASN A 47 0.502 14.385 11.932 1.00 0.00 C ATOM 796 CG ASN A 47 -0.515 14.869 12.963 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.090 14.085 13.717 1.00 0.00 O ATOM 798 ND2 ASN A 47 -0.715 16.161 13.026 1.00 0.00 N ATOM 0 H ASN A 47 2.056 12.183 12.352 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.758 12.697 11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.505 14.494 12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.448 15.024 11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.363 16.544 13.714 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.223 16.785 12.387 1.00 0.00 H new ATOM 805 N ALA A 48 -0.152 11.748 9.510 1.00 0.00 N ATOM 806 CA ALA A 48 -0.174 11.418 8.113 1.00 0.00 C ATOM 807 C ALA A 48 -1.369 10.528 7.916 1.00 0.00 C ATOM 808 O ALA A 48 -1.875 9.971 8.902 1.00 0.00 O ATOM 809 CB ALA A 48 1.093 10.692 7.690 1.00 0.00 C ATOM 0 H ALA A 48 -0.726 11.120 10.073 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.232 12.322 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.041 10.458 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.957 11.328 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.191 9.768 8.260 1.00 0.00 H new ATOM 815 N ILE A 49 -1.824 10.378 6.706 1.00 0.00 N ATOM 816 CA ILE A 49 -2.997 9.576 6.449 1.00 0.00 C ATOM 817 C ILE A 49 -2.588 8.117 6.343 1.00 0.00 C ATOM 818 O ILE A 49 -1.730 7.765 5.530 1.00 0.00 O ATOM 819 CB ILE A 49 -3.719 10.001 5.137 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.064 11.509 5.141 1.00 0.00 C ATOM 821 CG2 ILE A 49 -4.981 9.161 4.914 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.010 11.948 6.248 1.00 0.00 C ATOM 0 H ILE A 49 -1.404 10.799 5.877 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.692 9.725 7.275 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.031 9.820 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.138 12.078 5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.508 11.767 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.469 9.475 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.709 8.108 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.664 9.301 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.192 13.020 6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.954 11.412 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.563 11.727 7.217 1.00 0.00 H new ATOM 834 N VAL A 50 -3.155 7.287 7.183 1.00 0.00 N ATOM 835 CA VAL A 50 -2.869 5.872 7.148 1.00 0.00 C ATOM 836 C VAL A 50 -4.107 5.087 6.731 1.00 0.00 C ATOM 837 O VAL A 50 -5.206 5.352 7.201 1.00 0.00 O ATOM 838 CB VAL A 50 -2.292 5.325 8.492 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.975 5.997 8.828 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.268 5.498 9.636 1.00 0.00 C ATOM 0 H VAL A 50 -3.821 7.567 7.903 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.087 5.732 6.402 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.121 4.257 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.593 5.599 9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.255 5.804 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.129 7.072 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.828 5.105 10.552 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.492 6.557 9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.188 4.957 9.414 1.00 0.00 H new ATOM 850 N ILE A 51 -3.940 4.182 5.814 1.00 0.00 N ATOM 851 CA ILE A 51 -5.037 3.363 5.335 1.00 0.00 C ATOM 852 C ILE A 51 -4.655 1.901 5.521 1.00 0.00 C ATOM 853 O ILE A 51 -3.662 1.472 4.981 1.00 0.00 O ATOM 854 CB ILE A 51 -5.307 3.624 3.823 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.485 5.128 3.543 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.545 2.864 3.377 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.651 5.467 2.072 1.00 0.00 C ATOM 0 H ILE A 51 -3.043 3.983 5.370 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.939 3.610 5.895 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.444 3.272 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.357 5.488 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.620 5.665 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.726 3.052 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.393 1.796 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.405 3.197 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.771 6.544 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.769 5.140 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.533 4.960 1.679 1.00 0.00 H new ATOM 869 N LYS A 52 -5.407 1.164 6.314 1.00 0.00 N ATOM 870 CA LYS A 52 -5.119 -0.261 6.579 1.00 0.00 C ATOM 871 C LYS A 52 -5.289 -1.095 5.302 1.00 0.00 C ATOM 872 O LYS A 52 -6.161 -0.786 4.482 1.00 0.00 O ATOM 873 CB LYS A 52 -6.059 -0.774 7.691 1.00 0.00 C ATOM 874 CG LYS A 52 -5.759 -2.178 8.230 1.00 0.00 C ATOM 875 CD LYS A 52 -6.689 -2.509 9.394 1.00 0.00 C ATOM 876 CE LYS A 52 -6.342 -3.828 10.083 1.00 0.00 C ATOM 877 NZ LYS A 52 -6.573 -5.019 9.230 1.00 0.00 N ATOM 0 H LYS A 52 -6.233 1.518 6.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.085 -0.361 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.022 -0.071 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.080 -0.763 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.883 -2.914 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.721 -2.235 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.647 -1.702 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.715 -2.556 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.295 -3.806 10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.936 -3.921 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.318 -5.878 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.576 -5.063 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.987 -4.952 8.374 1.00 0.00 H new ATOM 891 N MET A 53 -4.458 -2.175 5.160 1.00 0.00 N ATOM 892 CA MET A 53 -4.465 -3.112 3.969 1.00 0.00 C ATOM 893 C MET A 53 -5.886 -3.484 3.573 1.00 0.00 C ATOM 894 O MET A 53 -6.220 -3.590 2.397 1.00 0.00 O ATOM 895 CB MET A 53 -3.769 -4.443 4.298 1.00 0.00 C ATOM 896 CG MET A 53 -2.301 -4.413 4.662 1.00 0.00 C ATOM 897 SD MET A 53 -1.726 -6.090 5.058 1.00 0.00 S ATOM 898 CE MET A 53 0.001 -5.818 5.434 1.00 0.00 C ATOM 0 H MET A 53 -3.763 -2.427 5.862 1.00 0.00 H new ATOM 0 HA MET A 53 -3.949 -2.580 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.308 -4.904 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.885 -5.101 3.437 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.721 -4.007 3.834 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.143 -3.754 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.345 -6.578 6.135 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.587 -5.879 4.517 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.125 -4.831 5.879 1.00 0.00 H new ATOM 908 N ASP A 54 -6.693 -3.667 4.599 1.00 0.00 N ATOM 909 CA ASP A 54 -8.111 -4.038 4.532 1.00 0.00 C ATOM 910 C ASP A 54 -8.912 -3.186 3.535 1.00 0.00 C ATOM 911 O ASP A 54 -9.846 -3.674 2.899 1.00 0.00 O ATOM 912 CB ASP A 54 -8.703 -3.859 5.933 1.00 0.00 C ATOM 913 CG ASP A 54 -10.146 -4.274 6.056 1.00 0.00 C ATOM 914 OD1 ASP A 54 -11.041 -3.471 5.738 1.00 0.00 O ATOM 915 OD2 ASP A 54 -10.405 -5.404 6.537 1.00 0.00 O ATOM 0 H ASP A 54 -6.368 -3.557 5.560 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.176 -5.069 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.110 -4.437 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.613 -2.812 6.221 1.00 0.00 H new ATOM 920 N ASN A 55 -8.522 -1.946 3.374 1.00 0.00 N ATOM 921 CA ASN A 55 -9.252 -1.010 2.525 1.00 0.00 C ATOM 922 C ASN A 55 -8.690 -0.996 1.081 1.00 0.00 C ATOM 923 O ASN A 55 -9.274 -0.405 0.179 1.00 0.00 O ATOM 924 CB ASN A 55 -9.182 0.394 3.165 1.00 0.00 C ATOM 925 CG ASN A 55 -10.036 1.457 2.478 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.208 1.650 2.821 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.460 2.180 1.550 1.00 0.00 N ATOM 0 H ASN A 55 -7.695 -1.549 3.821 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.292 -1.327 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.492 0.318 4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.144 0.726 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.980 2.926 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.491 1.997 1.289 1.00 0.00 H new ATOM 934 N LEU A 56 -7.583 -1.671 0.860 1.00 0.00 N ATOM 935 CA LEU A 56 -6.944 -1.666 -0.456 1.00 0.00 C ATOM 936 C LEU A 56 -7.328 -2.908 -1.249 1.00 0.00 C ATOM 937 O LEU A 56 -7.528 -3.971 -0.665 1.00 0.00 O ATOM 938 CB LEU A 56 -5.397 -1.562 -0.355 1.00 0.00 C ATOM 939 CG LEU A 56 -4.792 -0.224 0.129 1.00 0.00 C ATOM 940 CD1 LEU A 56 -5.243 0.944 -0.734 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.093 0.031 1.594 1.00 0.00 C ATOM 0 H LEU A 56 -7.102 -2.230 1.564 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.305 -0.780 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.052 -2.348 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.982 -1.780 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.710 -0.310 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.796 1.866 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.927 0.779 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.329 1.026 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.651 0.980 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.172 0.069 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.672 -0.773 2.197 1.00 0.00 H new ATOM 953 N PRO A 57 -7.465 -2.790 -2.591 1.00 0.00 N ATOM 954 CA PRO A 57 -7.786 -3.926 -3.461 1.00 0.00 C ATOM 955 C PRO A 57 -6.687 -4.991 -3.459 1.00 0.00 C ATOM 956 O PRO A 57 -5.530 -4.728 -3.060 1.00 0.00 O ATOM 957 CB PRO A 57 -7.868 -3.308 -4.867 1.00 0.00 C ATOM 958 CG PRO A 57 -8.047 -1.853 -4.647 1.00 0.00 C ATOM 959 CD PRO A 57 -7.351 -1.537 -3.359 1.00 0.00 C ATOM 0 HA PRO A 57 -8.699 -4.422 -3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.962 -3.511 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.702 -3.726 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.621 -1.279 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.105 -1.595 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.310 -1.260 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.825 -0.704 -2.840 1.00 0.00 H new ATOM 967 N ILE A 58 -7.029 -6.173 -3.956 1.00 0.00 N ATOM 968 CA ILE A 58 -6.095 -7.282 -4.052 1.00 0.00 C ATOM 969 C ILE A 58 -4.902 -6.955 -4.930 1.00 0.00 C ATOM 970 O ILE A 58 -3.849 -7.520 -4.753 1.00 0.00 O ATOM 971 CB ILE A 58 -6.773 -8.638 -4.459 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.638 -8.548 -5.748 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.598 -9.181 -3.310 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.878 -8.438 -7.058 1.00 0.00 C ATOM 0 H ILE A 58 -7.964 -6.388 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.717 -7.433 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.958 -9.324 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.276 -9.431 -5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.296 -7.683 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.062 -10.121 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.953 -9.351 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.373 -8.461 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.585 -8.382 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.261 -7.539 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.241 -9.314 -7.184 1.00 0.00 H new ATOM 986 N GLU A 59 -5.096 -6.018 -5.864 1.00 0.00 N ATOM 987 CA GLU A 59 -4.036 -5.548 -6.755 1.00 0.00 C ATOM 988 C GLU A 59 -2.886 -5.038 -5.919 1.00 0.00 C ATOM 989 O GLU A 59 -1.753 -5.500 -6.020 1.00 0.00 O ATOM 990 CB GLU A 59 -4.536 -4.368 -7.583 1.00 0.00 C ATOM 991 CG GLU A 59 -5.809 -4.594 -8.356 1.00 0.00 C ATOM 992 CD GLU A 59 -6.191 -3.361 -9.139 1.00 0.00 C ATOM 993 OE1 GLU A 59 -5.623 -3.133 -10.227 1.00 0.00 O ATOM 994 OE2 GLU A 59 -7.039 -2.580 -8.672 1.00 0.00 O ATOM 0 H GLU A 59 -5.996 -5.564 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.732 -6.371 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.686 -3.519 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.753 -4.086 -8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.681 -5.436 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.614 -4.858 -7.670 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.231 -4.122 -5.038 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.283 -3.444 -4.201 1.00 0.00 C ATOM 1003 C VAL A 60 -1.729 -4.408 -3.184 1.00 0.00 C ATOM 1004 O VAL A 60 -0.528 -4.494 -3.000 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.944 -2.242 -3.477 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.925 -1.430 -2.693 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.694 -1.364 -4.461 1.00 0.00 C ATOM 0 H VAL A 60 -4.196 -3.828 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.476 -3.065 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.661 -2.645 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.426 -0.597 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.453 -2.065 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.165 -1.045 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.149 -0.528 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.000 -0.983 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.472 -1.949 -4.951 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.613 -5.175 -2.569 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.212 -6.123 -1.544 1.00 0.00 C ATOM 1019 C LYS A 61 -1.273 -7.198 -2.088 1.00 0.00 C ATOM 1020 O LYS A 61 -0.363 -7.624 -1.387 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.416 -6.730 -0.824 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.266 -5.693 -0.091 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.339 -6.333 0.781 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.336 -7.152 -0.022 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.346 -7.775 0.853 1.00 0.00 N ATOM 0 H LYS A 61 -3.614 -5.160 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.647 -5.559 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.039 -7.253 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.066 -7.474 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.621 -5.071 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.739 -5.034 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.863 -6.974 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.871 -5.553 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.830 -6.512 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.809 -7.926 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.012 -8.327 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.875 -8.404 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.865 -7.034 1.367 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.482 -7.610 -3.335 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.591 -8.569 -4.015 1.00 0.00 C ATOM 1041 C ASP A 62 0.801 -7.985 -4.094 1.00 0.00 C ATOM 1042 O ASP A 62 1.786 -8.606 -3.684 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.099 -8.855 -5.446 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.245 -9.848 -6.235 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.712 -9.429 -6.937 1.00 0.00 O ATOM 1046 OD2 ASP A 62 -0.554 -11.064 -6.208 1.00 0.00 O ATOM 0 H ASP A 62 -2.266 -7.296 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.578 -9.500 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.118 -9.238 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.143 -7.915 -5.997 1.00 0.00 H new ATOM 1051 N LYS A 63 0.856 -6.750 -4.540 1.00 0.00 N ATOM 1052 CA LYS A 63 2.103 -6.048 -4.733 1.00 0.00 C ATOM 1053 C LYS A 63 2.788 -5.760 -3.383 1.00 0.00 C ATOM 1054 O LYS A 63 4.009 -5.922 -3.251 1.00 0.00 O ATOM 1055 CB LYS A 63 1.844 -4.792 -5.588 1.00 0.00 C ATOM 1056 CG LYS A 63 1.231 -5.180 -6.936 1.00 0.00 C ATOM 1057 CD LYS A 63 0.841 -4.010 -7.831 1.00 0.00 C ATOM 1058 CE LYS A 63 0.083 -4.552 -9.048 1.00 0.00 C ATOM 1059 NZ LYS A 63 -0.280 -3.525 -10.054 1.00 0.00 N ATOM 0 H LYS A 63 0.030 -6.202 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 63 2.811 -6.670 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.174 -4.116 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.779 -4.254 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.942 -5.807 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.345 -5.788 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.217 -3.305 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.730 -3.467 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.694 -5.315 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.827 -5.043 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.788 -3.975 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.890 -2.808 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.584 -3.071 -10.414 1.00 0.00 H new ATOM 1073 N LEU A 64 1.996 -5.401 -2.381 1.00 0.00 N ATOM 1074 CA LEU A 64 2.495 -5.173 -1.019 1.00 0.00 C ATOM 1075 C LEU A 64 3.085 -6.466 -0.439 1.00 0.00 C ATOM 1076 O LEU A 64 4.231 -6.491 0.056 1.00 0.00 O ATOM 1077 CB LEU A 64 1.356 -4.691 -0.095 1.00 0.00 C ATOM 1078 CG LEU A 64 0.686 -3.352 -0.432 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.448 -3.067 0.544 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.691 -2.216 -0.402 1.00 0.00 C ATOM 0 H LEU A 64 0.991 -5.258 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 64 3.269 -4.408 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.584 -5.460 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.752 -4.623 0.918 1.00 0.00 H new ATOM 0 HG LEU A 64 0.280 -3.425 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.914 -2.114 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.191 -3.862 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.052 -3.021 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.189 -1.279 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.130 -2.145 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.477 -2.406 -1.133 1.00 0.00 H new ATOM 1092 N THR A 65 2.311 -7.537 -0.536 1.00 0.00 N ATOM 1093 CA THR A 65 2.675 -8.835 -0.002 1.00 0.00 C ATOM 1094 C THR A 65 3.981 -9.349 -0.605 1.00 0.00 C ATOM 1095 O THR A 65 4.870 -9.816 0.114 1.00 0.00 O ATOM 1096 CB THR A 65 1.541 -9.870 -0.244 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.345 -9.416 0.400 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.912 -11.261 0.274 1.00 0.00 C ATOM 0 H THR A 65 1.400 -7.525 -0.995 1.00 0.00 H new ATOM 0 HA THR A 65 2.822 -8.710 1.071 1.00 0.00 H new ATOM 0 HB THR A 65 1.385 -9.954 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.187 -8.888 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.090 -11.951 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.808 -11.613 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.103 -11.211 1.346 1.00 0.00 H new ATOM 1106 N ARG A 66 4.107 -9.205 -1.896 1.00 0.00 N ATOM 1107 CA ARG A 66 5.238 -9.737 -2.619 1.00 0.00 C ATOM 1108 C ARG A 66 6.469 -8.848 -2.530 1.00 0.00 C ATOM 1109 O ARG A 66 7.575 -9.306 -2.791 1.00 0.00 O ATOM 1110 CB ARG A 66 4.840 -9.995 -4.060 1.00 0.00 C ATOM 1111 CG ARG A 66 3.752 -11.044 -4.175 1.00 0.00 C ATOM 1112 CD ARG A 66 3.115 -11.060 -5.544 1.00 0.00 C ATOM 1113 NE ARG A 66 4.039 -11.425 -6.617 1.00 0.00 N ATOM 1114 CZ ARG A 66 3.665 -11.609 -7.881 1.00 0.00 C ATOM 1115 NH1 ARG A 66 2.433 -11.280 -8.272 1.00 0.00 N ATOM 1116 NH2 ARG A 66 4.534 -12.054 -8.768 1.00 0.00 N ATOM 0 H ARG A 66 3.429 -8.715 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 66 5.522 -10.679 -2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.495 -9.065 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.715 -10.318 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.173 -12.026 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.987 -10.855 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.282 -11.763 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.700 -10.074 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 66 5.025 -11.545 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.773 -10.886 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.151 -11.423 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.493 -12.257 -8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.247 -12.195 -9.737 1.00 0.00 H new ATOM 1130 N PHE A 67 6.297 -7.596 -2.155 1.00 0.00 N ATOM 1131 CA PHE A 67 7.445 -6.707 -2.055 1.00 0.00 C ATOM 1132 C PHE A 67 8.119 -6.818 -0.702 1.00 0.00 C ATOM 1133 O PHE A 67 9.315 -7.085 -0.617 1.00 0.00 O ATOM 1134 CB PHE A 67 7.059 -5.245 -2.308 1.00 0.00 C ATOM 1135 CG PHE A 67 8.245 -4.288 -2.390 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.752 -3.638 -1.252 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.844 -4.035 -3.609 1.00 0.00 C ATOM 1138 CE1 PHE A 67 9.820 -2.772 -1.352 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.912 -3.165 -3.707 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.400 -2.535 -2.579 1.00 0.00 C ATOM 0 H PHE A 67 5.398 -7.176 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 67 8.145 -7.023 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.495 -5.186 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.394 -4.914 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.300 -3.819 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.472 -4.524 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.202 -2.280 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.367 -2.977 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.236 -1.856 -2.659 1.00 0.00 H new ATOM 1150 N PHE A 68 7.369 -6.606 0.350 1.00 0.00 N ATOM 1151 CA PHE A 68 7.976 -6.528 1.665 1.00 0.00 C ATOM 1152 C PHE A 68 7.472 -7.570 2.645 1.00 0.00 C ATOM 1153 O PHE A 68 8.190 -7.932 3.577 1.00 0.00 O ATOM 1154 CB PHE A 68 7.801 -5.113 2.252 1.00 0.00 C ATOM 1155 CG PHE A 68 6.372 -4.631 2.293 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.513 -5.040 3.298 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.893 -3.774 1.320 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.216 -4.609 3.329 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.596 -3.338 1.350 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.754 -3.757 2.354 1.00 0.00 C ATOM 0 H PHE A 68 6.356 -6.486 0.330 1.00 0.00 H new ATOM 0 HA PHE A 68 9.034 -6.745 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.206 -5.099 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.392 -4.412 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.872 -5.708 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.549 -3.445 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.556 -4.937 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.234 -2.666 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.729 -3.416 2.376 1.00 0.00 H new ATOM 1170 N LEU A 69 6.265 -8.059 2.444 1.00 0.00 N ATOM 1171 CA LEU A 69 5.656 -8.907 3.440 1.00 0.00 C ATOM 1172 C LEU A 69 6.277 -10.296 3.447 1.00 0.00 C ATOM 1173 O LEU A 69 7.021 -10.629 4.379 1.00 0.00 O ATOM 1174 CB LEU A 69 4.141 -8.972 3.246 1.00 0.00 C ATOM 1175 CG LEU A 69 3.333 -9.670 4.348 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.497 -8.949 5.679 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.867 -9.734 3.967 1.00 0.00 C ATOM 0 H LEU A 69 5.697 -7.886 1.614 1.00 0.00 H new ATOM 0 HA LEU A 69 5.849 -8.465 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.767 -7.953 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.940 -9.481 2.303 1.00 0.00 H new ATOM 0 HG LEU A 69 3.714 -10.685 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.915 -9.462 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.549 -8.946 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.144 -7.922 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.307 -10.232 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.482 -8.723 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.757 -10.293 3.038 1.00 0.00 H new ATOM 1189 N LEU A 70 5.997 -11.080 2.384 1.00 0.00 N ATOM 1190 CA LEU A 70 6.484 -12.485 2.223 1.00 0.00 C ATOM 1191 C LEU A 70 6.298 -13.306 3.513 1.00 0.00 C ATOM 1192 O LEU A 70 7.011 -14.281 3.755 1.00 0.00 O ATOM 1193 CB LEU A 70 7.979 -12.532 1.793 1.00 0.00 C ATOM 1194 CG LEU A 70 8.365 -11.956 0.410 1.00 0.00 C ATOM 1195 CD1 LEU A 70 7.493 -12.515 -0.701 1.00 0.00 C ATOM 1196 CD2 LEU A 70 8.385 -10.436 0.398 1.00 0.00 C ATOM 0 H LEU A 70 5.423 -10.762 1.603 1.00 0.00 H new ATOM 0 HA LEU A 70 5.877 -12.929 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.558 -12.000 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.300 -13.573 1.820 1.00 0.00 H new ATOM 0 HG LEU A 70 9.386 -12.283 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.798 -12.084 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.604 -13.599 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.450 -12.264 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.662 -10.084 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.396 -10.057 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.112 -10.076 1.126 1.00 0.00 H new ATOM 1208 N GLU A 71 5.291 -12.964 4.281 1.00 0.00 N ATOM 1209 CA GLU A 71 5.118 -13.515 5.592 1.00 0.00 C ATOM 1210 C GLU A 71 4.346 -14.827 5.547 1.00 0.00 C ATOM 1211 O GLU A 71 3.205 -14.885 5.065 1.00 0.00 O ATOM 1212 CB GLU A 71 4.441 -12.488 6.489 1.00 0.00 C ATOM 1213 CG GLU A 71 4.428 -12.875 7.934 1.00 0.00 C ATOM 1214 CD GLU A 71 3.834 -11.826 8.825 1.00 0.00 C ATOM 1215 OE1 GLU A 71 4.541 -10.886 9.212 1.00 0.00 O ATOM 1216 OE2 GLU A 71 2.686 -11.980 9.239 1.00 0.00 O ATOM 0 H GLU A 71 4.571 -12.295 4.009 1.00 0.00 H new ATOM 0 HA GLU A 71 6.097 -13.748 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.951 -11.531 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.415 -12.342 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.865 -13.801 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.449 -13.080 8.257 1.00 0.00 H new ATOM 1223 N HIS A 72 4.991 -15.879 6.005 1.00 0.00 N ATOM 1224 CA HIS A 72 4.421 -17.216 6.033 1.00 0.00 C ATOM 1225 C HIS A 72 4.918 -17.922 7.294 1.00 0.00 C ATOM 1226 O HIS A 72 5.587 -17.297 8.138 1.00 0.00 O ATOM 1227 CB HIS A 72 4.868 -18.056 4.804 1.00 0.00 C ATOM 1228 CG HIS A 72 4.507 -17.523 3.441 1.00 0.00 C ATOM 1229 ND1 HIS A 72 3.439 -17.978 2.713 1.00 0.00 N ATOM 1230 CD2 HIS A 72 5.119 -16.604 2.658 1.00 0.00 C ATOM 1231 CE1 HIS A 72 3.406 -17.366 1.551 1.00 0.00 C ATOM 1232 NE2 HIS A 72 4.414 -16.527 1.489 1.00 0.00 N ATOM 0 H HIS A 72 5.941 -15.832 6.375 1.00 0.00 H new ATOM 0 HA HIS A 72 3.335 -17.127 6.017 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.951 -18.169 4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.439 -19.053 4.902 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.002 -16.036 2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.672 -17.526 0.775 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.634 -15.919 0.700 1.00 0.00 H new ATOM 1241 N HIS A 73 4.574 -19.198 7.420 1.00 0.00 N ATOM 1242 CA HIS A 73 5.040 -20.111 8.481 1.00 0.00 C ATOM 1243 C HIS A 73 4.440 -19.832 9.869 1.00 0.00 C ATOM 1244 O HIS A 73 3.857 -20.734 10.472 1.00 0.00 O ATOM 1245 CB HIS A 73 6.582 -20.204 8.527 1.00 0.00 C ATOM 1246 CG HIS A 73 7.114 -21.236 9.487 1.00 0.00 C ATOM 1247 ND1 HIS A 73 7.883 -20.925 10.583 1.00 0.00 N ATOM 1248 CD2 HIS A 73 7.005 -22.580 9.483 1.00 0.00 C ATOM 1249 CE1 HIS A 73 8.221 -22.029 11.209 1.00 0.00 C ATOM 1250 NE2 HIS A 73 7.702 -23.049 10.563 1.00 0.00 N ATOM 0 H HIS A 73 3.938 -19.652 6.765 1.00 0.00 H new ATOM 0 HA HIS A 73 4.654 -21.091 8.199 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.950 -20.432 7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.985 -19.229 8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.467 -23.176 8.761 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.824 -22.089 12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.802 -24.030 10.824 1.00 0.00 H new ATOM 1259 N HIS A 74 4.565 -18.601 10.382 1.00 0.00 N ATOM 1260 CA HIS A 74 4.049 -18.314 11.736 1.00 0.00 C ATOM 1261 C HIS A 74 2.530 -18.215 11.750 1.00 0.00 C ATOM 1262 O HIS A 74 1.905 -18.190 12.800 1.00 0.00 O ATOM 1263 CB HIS A 74 4.736 -17.115 12.454 1.00 0.00 C ATOM 1264 CG HIS A 74 4.551 -15.736 11.863 1.00 0.00 C ATOM 1265 ND1 HIS A 74 5.608 -14.903 11.594 1.00 0.00 N ATOM 1266 CD2 HIS A 74 3.436 -15.008 11.609 1.00 0.00 C ATOM 1267 CE1 HIS A 74 5.156 -13.734 11.212 1.00 0.00 C ATOM 1268 NE2 HIS A 74 3.840 -13.773 11.210 1.00 0.00 N ATOM 0 H HIS A 74 5.001 -17.812 9.905 1.00 0.00 H new ATOM 0 HA HIS A 74 4.329 -19.178 12.338 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.375 -17.089 13.482 1.00 0.00 H new ATOM 0 HB3 HIS A 74 5.806 -17.320 12.497 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.415 -15.347 11.706 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.762 -12.881 10.944 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.224 -13.002 10.951 1.00 0.00 H new ATOM 1277 N HIS A 75 1.983 -18.102 10.574 1.00 0.00 N ATOM 1278 CA HIS A 75 0.571 -18.197 10.289 1.00 0.00 C ATOM 1279 C HIS A 75 0.509 -18.752 8.909 1.00 0.00 C ATOM 1280 O HIS A 75 1.484 -18.630 8.156 1.00 0.00 O ATOM 1281 CB HIS A 75 -0.182 -16.842 10.285 1.00 0.00 C ATOM 1282 CG HIS A 75 -0.362 -16.168 11.606 1.00 0.00 C ATOM 1283 ND1 HIS A 75 -0.096 -14.833 11.805 1.00 0.00 N ATOM 1284 CD2 HIS A 75 -0.857 -16.625 12.777 1.00 0.00 C ATOM 1285 CE1 HIS A 75 -0.416 -14.505 13.031 1.00 0.00 C ATOM 1286 NE2 HIS A 75 -0.879 -15.566 13.645 1.00 0.00 N ATOM 0 H HIS A 75 2.539 -17.931 9.736 1.00 0.00 H new ATOM 0 HA HIS A 75 0.094 -18.797 11.064 1.00 0.00 H new ATOM 0 HB2 HIS A 75 0.352 -16.159 9.625 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.168 -17.002 9.848 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.175 -17.635 12.989 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.315 -13.521 13.465 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.203 -15.598 14.612 1.00 0.00 H new ATOM 1295 N HIS A 76 -0.558 -19.362 8.561 1.00 0.00 N ATOM 1296 CA HIS A 76 -0.694 -19.859 7.237 1.00 0.00 C ATOM 1297 C HIS A 76 -1.933 -19.249 6.626 1.00 0.00 C ATOM 1298 O HIS A 76 -3.052 -19.752 6.815 1.00 0.00 O ATOM 1299 CB HIS A 76 -0.736 -21.396 7.213 1.00 0.00 C ATOM 1300 CG HIS A 76 -0.641 -21.989 5.835 1.00 0.00 C ATOM 1301 ND1 HIS A 76 -1.678 -22.641 5.217 1.00 0.00 N ATOM 1302 CD2 HIS A 76 0.396 -22.048 4.973 1.00 0.00 C ATOM 1303 CE1 HIS A 76 -1.285 -23.074 4.041 1.00 0.00 C ATOM 1304 NE2 HIS A 76 -0.035 -22.728 3.871 1.00 0.00 N ATOM 0 H HIS A 76 -1.356 -19.533 9.173 1.00 0.00 H new ATOM 0 HA HIS A 76 0.176 -19.575 6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 76 0.083 -21.781 7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.663 -21.731 7.678 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.382 -21.635 5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.891 -23.622 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 76 0.528 -22.934 3.046 1.00 0.00 H new ATOM 1313 N HIS A 77 -1.743 -18.120 5.993 1.00 0.00 N ATOM 1314 CA HIS A 77 -2.808 -17.398 5.346 1.00 0.00 C ATOM 1315 C HIS A 77 -2.259 -16.790 4.077 1.00 0.00 C ATOM 1316 O HIS A 77 -2.578 -17.293 3.004 1.00 0.00 O ATOM 1317 CB HIS A 77 -3.382 -16.293 6.257 1.00 0.00 C ATOM 1318 CG HIS A 77 -4.634 -15.646 5.712 1.00 0.00 C ATOM 1319 ND1 HIS A 77 -4.629 -14.568 4.859 1.00 0.00 N ATOM 1320 CD2 HIS A 77 -5.936 -15.949 5.906 1.00 0.00 C ATOM 1321 CE1 HIS A 77 -5.863 -14.239 4.557 1.00 0.00 C ATOM 1322 NE2 HIS A 77 -6.676 -15.061 5.175 1.00 0.00 N ATOM 1323 OXT HIS A 77 -1.442 -15.837 4.169 1.00 0.00 O ATOM 0 H HIS A 77 -0.831 -17.670 5.911 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.623 -18.087 5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.601 -16.719 7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.622 -15.526 6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.322 -16.746 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.159 -13.428 3.909 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.694 -15.041 5.120 1.00 0.00 H new TER 1332 HIS A 77