USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 620 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 Single : A 1 GLY N :NH3+ -159:sc= 0 (180deg=-0.064) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -42:sc= -0.0313! USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 12 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.9!) USER MOD Single : A 15 ASN : amide:sc=-0.00262 X(o=-0.0026,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 26 TYR OH : rot 20:sc= 0.637 USER MOD Single : A 30 THR OG1 : rot 160:sc= -0.89 USER MOD Single : A 31 SER OG : rot 180:sc= 0.173 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.25) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0524 (180deg=-0.231) USER MOD Single : A 43 THR OG1 : rot 180:sc=1.28e-05 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -1.14 (180deg=-1.48) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.116) USER MOD Single : A 59 GLN : amide:sc=-0.00181 K(o=-0.0018,f=-1.6) USER MOD Single : A 61 SER OG : rot 88:sc= 0.634 USER MOD Single : A 62 MET CE :methyl -121:sc= -0.0111 (180deg=-0.0627) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -0.205 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.365 8.965 -30.992 1.00 13.64 N ATOM 2 CA GLY A 1 -20.576 8.113 -31.170 1.00 13.19 C ATOM 3 C GLY A 1 -20.655 7.091 -30.032 1.00 12.36 C ATOM 4 O GLY A 1 -21.377 7.299 -29.058 1.00 12.08 O ATOM 0 H1 GLY A 1 -19.485 9.853 -31.520 1.00 13.64 H new ATOM 0 H2 GLY A 1 -19.235 9.177 -29.982 1.00 13.64 H new ATOM 0 H3 GLY A 1 -18.529 8.460 -31.350 1.00 13.64 H new ATOM 0 HA2 GLY A 1 -21.472 8.734 -31.178 1.00 13.19 H new ATOM 0 HA3 GLY A 1 -20.535 7.600 -32.131 1.00 13.19 H new ATOM 10 N PRO A 2 -19.915 5.973 -30.135 1.00 12.13 N ATOM 11 CA PRO A 2 -19.925 4.934 -29.090 1.00 11.53 C ATOM 12 C PRO A 2 -18.998 5.265 -27.923 1.00 10.87 C ATOM 13 O PRO A 2 -19.389 5.185 -26.758 1.00 11.06 O ATOM 14 CB PRO A 2 -19.425 3.708 -29.846 1.00 11.92 C ATOM 15 CG PRO A 2 -18.619 4.214 -31.037 1.00 12.50 C ATOM 16 CD PRO A 2 -19.028 5.671 -31.283 1.00 12.69 C ATOM 0 HA PRO A 2 -20.906 4.811 -28.631 1.00 11.53 H new ATOM 0 HB2 PRO A 2 -18.808 3.083 -29.201 1.00 11.92 H new ATOM 0 HB3 PRO A 2 -20.261 3.094 -30.180 1.00 11.92 H new ATOM 0 HG2 PRO A 2 -17.550 4.145 -30.834 1.00 12.50 H new ATOM 0 HG3 PRO A 2 -18.816 3.606 -31.920 1.00 12.50 H new ATOM 0 HD2 PRO A 2 -18.163 6.333 -31.308 1.00 12.69 H new ATOM 0 HD3 PRO A 2 -19.547 5.788 -32.234 1.00 12.69 H new ATOM 24 N ALA A 3 -17.765 5.639 -28.250 1.00 10.31 N ATOM 25 CA ALA A 3 -16.785 5.983 -27.223 1.00 9.88 C ATOM 26 C ALA A 3 -15.541 6.595 -27.858 1.00 8.87 C ATOM 27 O ALA A 3 -15.455 6.738 -29.078 1.00 8.87 O ATOM 28 CB ALA A 3 -16.381 4.738 -26.432 1.00 10.41 C ATOM 0 H ALA A 3 -17.422 5.712 -29.208 1.00 10.31 H new ATOM 0 HA ALA A 3 -17.242 6.708 -26.550 1.00 9.88 H new ATOM 0 HB1 ALA A 3 -15.650 5.012 -25.671 1.00 10.41 H new ATOM 0 HB2 ALA A 3 -17.261 4.310 -25.953 1.00 10.41 H new ATOM 0 HB3 ALA A 3 -15.943 4.004 -27.108 1.00 10.41 H new ATOM 34 N SER A 4 -14.577 6.954 -27.015 1.00 8.23 N ATOM 35 CA SER A 4 -13.337 7.552 -27.502 1.00 7.43 C ATOM 36 C SER A 4 -12.129 6.851 -26.886 1.00 6.45 C ATOM 37 O SER A 4 -11.401 6.128 -27.566 1.00 6.46 O ATOM 38 CB SER A 4 -13.283 9.038 -27.148 1.00 7.71 C ATOM 39 OG SER A 4 -13.930 9.787 -28.169 1.00 8.01 O ATOM 0 H SER A 4 -14.628 6.843 -26.002 1.00 8.23 H new ATOM 0 HA SER A 4 -13.312 7.436 -28.586 1.00 7.43 H new ATOM 0 HB2 SER A 4 -13.770 9.213 -26.188 1.00 7.71 H new ATOM 0 HB3 SER A 4 -12.247 9.362 -27.044 1.00 7.71 H new ATOM 0 HG SER A 4 -13.899 10.740 -27.945 1.00 8.01 H new ATOM 45 N VAL A 5 -11.926 7.075 -25.591 1.00 5.93 N ATOM 46 CA VAL A 5 -10.803 6.464 -24.889 1.00 5.29 C ATOM 47 C VAL A 5 -11.309 5.470 -23.837 1.00 4.34 C ATOM 48 O VAL A 5 -11.503 5.836 -22.677 1.00 4.23 O ATOM 49 CB VAL A 5 -9.958 7.537 -24.198 1.00 5.68 C ATOM 50 CG1 VAL A 5 -8.692 6.900 -23.622 1.00 5.89 C ATOM 51 CG2 VAL A 5 -9.566 8.612 -25.214 1.00 6.25 C ATOM 0 H VAL A 5 -12.518 7.669 -25.011 1.00 5.93 H new ATOM 0 HA VAL A 5 -10.191 5.937 -25.622 1.00 5.29 H new ATOM 0 HB VAL A 5 -10.537 7.989 -23.393 1.00 5.68 H new ATOM 0 HG11 VAL A 5 -8.091 7.665 -23.130 1.00 5.89 H new ATOM 0 HG12 VAL A 5 -8.968 6.134 -22.897 1.00 5.89 H new ATOM 0 HG13 VAL A 5 -8.114 6.447 -24.427 1.00 5.89 H new ATOM 0 HG21 VAL A 5 -8.964 9.376 -24.722 1.00 6.25 H new ATOM 0 HG22 VAL A 5 -8.988 8.158 -26.019 1.00 6.25 H new ATOM 0 HG23 VAL A 5 -10.466 9.069 -25.626 1.00 6.25 H new ATOM 61 N PRO A 6 -11.528 4.200 -24.220 1.00 4.14 N ATOM 62 CA PRO A 6 -12.012 3.175 -23.278 1.00 3.76 C ATOM 63 C PRO A 6 -10.887 2.582 -22.432 1.00 3.28 C ATOM 64 O PRO A 6 -9.707 2.826 -22.684 1.00 3.74 O ATOM 65 CB PRO A 6 -12.598 2.124 -24.212 1.00 4.55 C ATOM 66 CG PRO A 6 -11.911 2.293 -25.562 1.00 5.11 C ATOM 67 CD PRO A 6 -11.311 3.702 -25.599 1.00 4.91 C ATOM 0 HA PRO A 6 -12.720 3.573 -22.551 1.00 3.76 H new ATOM 0 HB2 PRO A 6 -12.431 1.122 -23.817 1.00 4.55 H new ATOM 0 HB3 PRO A 6 -13.676 2.253 -24.309 1.00 4.55 H new ATOM 0 HG2 PRO A 6 -11.133 1.541 -25.693 1.00 5.11 H new ATOM 0 HG3 PRO A 6 -12.624 2.158 -26.375 1.00 5.11 H new ATOM 0 HD2 PRO A 6 -10.252 3.682 -25.858 1.00 4.91 H new ATOM 0 HD3 PRO A 6 -11.808 4.332 -26.337 1.00 4.91 H new ATOM 75 N THR A 7 -11.266 1.800 -21.425 1.00 2.95 N ATOM 76 CA THR A 7 -10.279 1.178 -20.547 1.00 3.10 C ATOM 77 C THR A 7 -10.893 0.000 -19.798 1.00 2.71 C ATOM 78 O THR A 7 -10.309 -1.083 -19.728 1.00 3.34 O ATOM 79 CB THR A 7 -9.753 2.193 -19.529 1.00 4.00 C ATOM 80 OG1 THR A 7 -9.664 3.472 -20.140 1.00 4.61 O ATOM 81 CG2 THR A 7 -8.367 1.760 -19.044 1.00 4.67 C ATOM 0 H THR A 7 -12.237 1.584 -21.198 1.00 2.95 H new ATOM 0 HA THR A 7 -9.456 0.824 -21.168 1.00 3.10 H new ATOM 0 HB THR A 7 -10.434 2.242 -18.680 1.00 4.00 H new ATOM 0 HG1 THR A 7 -9.292 3.379 -21.042 1.00 4.61 H new ATOM 0 HG21 THR A 7 -7.993 2.483 -18.319 1.00 4.67 H new ATOM 0 HG22 THR A 7 -8.436 0.778 -18.575 1.00 4.67 H new ATOM 0 HG23 THR A 7 -7.684 1.710 -19.892 1.00 4.67 H new ATOM 89 N THR A 8 -12.079 0.221 -19.234 1.00 2.31 N ATOM 90 CA THR A 8 -12.768 -0.830 -18.485 1.00 2.57 C ATOM 91 C THR A 8 -11.923 -1.271 -17.294 1.00 2.19 C ATOM 92 O THR A 8 -10.777 -0.849 -17.139 1.00 2.24 O ATOM 93 CB THR A 8 -13.040 -2.042 -19.381 1.00 3.29 C ATOM 94 OG1 THR A 8 -13.172 -1.612 -20.729 1.00 3.87 O ATOM 95 CG2 THR A 8 -14.331 -2.730 -18.933 1.00 3.77 C ATOM 0 H THR A 8 -12.579 1.109 -19.280 1.00 2.31 H new ATOM 0 HA THR A 8 -13.716 -0.425 -18.131 1.00 2.57 H new ATOM 0 HB THR A 8 -12.211 -2.746 -19.304 1.00 3.29 H new ATOM 0 HG1 THR A 8 -13.344 -2.387 -21.304 1.00 3.87 H new ATOM 0 HG21 THR A 8 -14.524 -3.592 -19.571 1.00 3.77 H new ATOM 0 HG22 THR A 8 -14.228 -3.059 -17.899 1.00 3.77 H new ATOM 0 HG23 THR A 8 -15.162 -2.029 -19.009 1.00 3.77 H new ATOM 103 N CYS A 9 -12.500 -2.125 -16.453 1.00 2.05 N ATOM 104 CA CYS A 9 -11.786 -2.614 -15.278 1.00 1.84 C ATOM 105 C CYS A 9 -10.858 -3.764 -15.662 1.00 1.86 C ATOM 106 O CYS A 9 -10.782 -4.156 -16.826 1.00 2.40 O ATOM 107 CB CYS A 9 -12.774 -3.087 -14.203 1.00 1.97 C ATOM 108 SG CYS A 9 -12.985 -1.790 -12.958 1.00 2.39 S ATOM 0 H CYS A 9 -13.447 -2.489 -16.561 1.00 2.05 H new ATOM 0 HA CYS A 9 -11.192 -1.793 -14.875 1.00 1.84 H new ATOM 0 HB2 CYS A 9 -13.735 -3.327 -14.658 1.00 1.97 H new ATOM 0 HB3 CYS A 9 -12.407 -3.999 -13.733 1.00 1.97 H new ATOM 113 N CYS A 10 -10.142 -4.290 -14.671 1.00 1.73 N ATOM 114 CA CYS A 10 -9.208 -5.386 -14.919 1.00 1.73 C ATOM 115 C CYS A 10 -9.825 -6.730 -14.549 1.00 1.76 C ATOM 116 O CYS A 10 -9.806 -7.675 -15.337 1.00 2.04 O ATOM 117 CB CYS A 10 -7.928 -5.194 -14.101 1.00 1.70 C ATOM 118 SG CYS A 10 -6.670 -6.361 -14.675 1.00 2.06 S ATOM 0 H CYS A 10 -10.189 -3.980 -13.700 1.00 1.73 H new ATOM 0 HA CYS A 10 -8.974 -5.379 -15.984 1.00 1.73 H new ATOM 0 HB2 CYS A 10 -7.566 -4.171 -14.205 1.00 1.70 H new ATOM 0 HB3 CYS A 10 -8.132 -5.353 -13.042 1.00 1.70 H new ATOM 123 N PHE A 11 -10.356 -6.813 -13.331 1.00 1.84 N ATOM 124 CA PHE A 11 -10.958 -8.059 -12.856 1.00 1.87 C ATOM 125 C PHE A 11 -9.904 -9.161 -12.801 1.00 1.89 C ATOM 126 O PHE A 11 -10.198 -10.338 -13.012 1.00 2.03 O ATOM 127 CB PHE A 11 -12.101 -8.500 -13.775 1.00 2.02 C ATOM 128 CG PHE A 11 -13.132 -7.398 -13.867 1.00 2.03 C ATOM 129 CD1 PHE A 11 -13.685 -6.854 -12.700 1.00 2.39 C ATOM 130 CD2 PHE A 11 -13.536 -6.920 -15.119 1.00 2.35 C ATOM 131 CE1 PHE A 11 -14.639 -5.835 -12.786 1.00 2.43 C ATOM 132 CE2 PHE A 11 -14.491 -5.900 -15.205 1.00 2.43 C ATOM 133 CZ PHE A 11 -15.042 -5.358 -14.038 1.00 2.16 C ATOM 0 H PHE A 11 -10.383 -6.044 -12.662 1.00 1.84 H new ATOM 0 HA PHE A 11 -11.358 -7.881 -11.858 1.00 1.87 H new ATOM 0 HB2 PHE A 11 -11.714 -8.733 -14.767 1.00 2.02 H new ATOM 0 HB3 PHE A 11 -12.560 -9.410 -13.390 1.00 2.02 H new ATOM 0 HD1 PHE A 11 -13.374 -7.222 -11.733 1.00 2.39 H new ATOM 0 HD2 PHE A 11 -13.111 -7.338 -16.019 1.00 2.35 H new ATOM 0 HE1 PHE A 11 -15.065 -5.416 -11.886 1.00 2.43 H new ATOM 0 HE2 PHE A 11 -14.802 -5.532 -16.171 1.00 2.43 H new ATOM 0 HZ PHE A 11 -15.779 -4.571 -14.104 1.00 2.16 H new ATOM 143 N ASN A 12 -8.668 -8.757 -12.511 1.00 1.97 N ATOM 144 CA ASN A 12 -7.557 -9.699 -12.424 1.00 2.02 C ATOM 145 C ASN A 12 -6.344 -9.006 -11.811 1.00 1.88 C ATOM 146 O ASN A 12 -5.423 -8.589 -12.513 1.00 1.90 O ATOM 147 CB ASN A 12 -7.188 -10.229 -13.812 1.00 2.19 C ATOM 148 CG ASN A 12 -6.412 -11.535 -13.669 1.00 2.61 C ATOM 149 OD1 ASN A 12 -6.632 -12.294 -12.726 1.00 3.12 O ATOM 150 ND2 ASN A 12 -5.507 -11.843 -14.557 1.00 3.11 N ATOM 0 H ASN A 12 -8.413 -7.786 -12.333 1.00 1.97 H new ATOM 0 HA ASN A 12 -7.862 -10.536 -11.797 1.00 2.02 H new ATOM 0 HB2 ASN A 12 -8.090 -10.392 -14.402 1.00 2.19 H new ATOM 0 HB3 ASN A 12 -6.587 -9.493 -14.346 1.00 2.19 H new ATOM 0 HD21 ASN A 12 -4.982 -12.713 -14.469 1.00 3.11 H new ATOM 0 HD22 ASN A 12 -5.325 -11.214 -15.339 1.00 3.11 H new ATOM 157 N LEU A 13 -6.367 -8.876 -10.488 1.00 1.77 N ATOM 158 CA LEU A 13 -5.277 -8.218 -9.774 1.00 1.64 C ATOM 159 C LEU A 13 -4.006 -9.058 -9.831 1.00 1.72 C ATOM 160 O LEU A 13 -4.052 -10.270 -10.044 1.00 1.94 O ATOM 161 CB LEU A 13 -5.667 -7.986 -8.316 1.00 1.56 C ATOM 162 CG LEU A 13 -6.985 -7.209 -8.266 1.00 1.51 C ATOM 163 CD1 LEU A 13 -7.541 -7.243 -6.844 1.00 1.49 C ATOM 164 CD2 LEU A 13 -6.738 -5.758 -8.687 1.00 1.39 C ATOM 0 H LEU A 13 -7.122 -9.215 -9.892 1.00 1.77 H new ATOM 0 HA LEU A 13 -5.087 -7.260 -10.257 1.00 1.64 H new ATOM 0 HB2 LEU A 13 -5.773 -8.940 -7.799 1.00 1.56 H new ATOM 0 HB3 LEU A 13 -4.883 -7.430 -7.801 1.00 1.56 H new ATOM 0 HG LEU A 13 -7.704 -7.665 -8.947 1.00 1.51 H new ATOM 0 HD11 LEU A 13 -8.480 -6.690 -6.807 1.00 1.49 H new ATOM 0 HD12 LEU A 13 -7.717 -8.277 -6.547 1.00 1.49 H new ATOM 0 HD13 LEU A 13 -6.824 -6.786 -6.162 1.00 1.49 H new ATOM 0 HD21 LEU A 13 -7.676 -5.204 -8.652 1.00 1.39 H new ATOM 0 HD22 LEU A 13 -6.020 -5.299 -8.007 1.00 1.39 H new ATOM 0 HD23 LEU A 13 -6.342 -5.736 -9.702 1.00 1.39 H new ATOM 176 N ALA A 14 -2.869 -8.395 -9.642 1.00 1.59 N ATOM 177 CA ALA A 14 -1.579 -9.080 -9.678 1.00 1.66 C ATOM 178 C ALA A 14 -1.268 -9.716 -8.329 1.00 1.65 C ATOM 179 O ALA A 14 -1.982 -9.510 -7.347 1.00 1.57 O ATOM 180 CB ALA A 14 -0.464 -8.094 -10.029 1.00 1.59 C ATOM 0 H ALA A 14 -2.813 -7.392 -9.464 1.00 1.59 H new ATOM 0 HA ALA A 14 -1.635 -9.858 -10.439 1.00 1.66 H new ATOM 0 HB1 ALA A 14 0.491 -8.618 -10.052 1.00 1.59 H new ATOM 0 HB2 ALA A 14 -0.661 -7.655 -11.007 1.00 1.59 H new ATOM 0 HB3 ALA A 14 -0.427 -7.305 -9.278 1.00 1.59 H new ATOM 186 N ASN A 15 -0.187 -10.490 -8.293 1.00 1.79 N ATOM 187 CA ASN A 15 0.226 -11.156 -7.061 1.00 1.82 C ATOM 188 C ASN A 15 1.697 -10.874 -6.773 1.00 1.80 C ATOM 189 O ASN A 15 2.073 -10.539 -5.649 1.00 1.76 O ATOM 190 CB ASN A 15 0.020 -12.668 -7.172 1.00 2.04 C ATOM 191 CG ASN A 15 0.162 -13.304 -5.794 1.00 2.36 C ATOM 192 OD1 ASN A 15 1.088 -14.079 -5.553 1.00 2.95 O ATOM 193 ND2 ASN A 15 -0.708 -13.020 -4.864 1.00 2.78 N ATOM 0 H ASN A 15 0.415 -10.671 -9.096 1.00 1.79 H new ATOM 0 HA ASN A 15 -0.386 -10.767 -6.247 1.00 1.82 H new ATOM 0 HB2 ASN A 15 -0.967 -12.882 -7.583 1.00 2.04 H new ATOM 0 HB3 ASN A 15 0.751 -13.096 -7.858 1.00 2.04 H new ATOM 0 HD21 ASN A 15 -0.621 -13.440 -3.939 1.00 2.78 H new ATOM 0 HD22 ASN A 15 -1.475 -12.378 -5.062 1.00 2.78 H new ATOM 200 N ARG A 16 2.523 -11.012 -7.804 1.00 1.88 N ATOM 201 CA ARG A 16 3.956 -10.769 -7.661 1.00 1.89 C ATOM 202 C ARG A 16 4.233 -9.273 -7.555 1.00 1.70 C ATOM 203 O ARG A 16 3.775 -8.483 -8.380 1.00 1.66 O ATOM 204 CB ARG A 16 4.719 -11.333 -8.862 1.00 2.03 C ATOM 205 CG ARG A 16 4.553 -12.853 -8.905 1.00 2.27 C ATOM 206 CD ARG A 16 5.573 -13.506 -7.970 1.00 2.52 C ATOM 207 NE ARG A 16 5.678 -14.942 -8.243 1.00 3.05 N ATOM 208 CZ ARG A 16 6.446 -15.754 -7.501 1.00 3.51 C ATOM 209 NH1 ARG A 16 7.142 -15.295 -6.490 1.00 3.65 N ATOM 210 NH2 ARG A 16 6.500 -17.025 -7.792 1.00 4.27 N ATOM 0 H ARG A 16 2.230 -11.288 -8.741 1.00 1.88 H new ATOM 0 HA ARG A 16 4.293 -11.268 -6.752 1.00 1.89 H new ATOM 0 HB2 ARG A 16 4.345 -10.890 -9.785 1.00 2.03 H new ATOM 0 HB3 ARG A 16 5.775 -11.074 -8.789 1.00 2.03 H new ATOM 0 HG2 ARG A 16 3.542 -13.127 -8.605 1.00 2.27 H new ATOM 0 HG3 ARG A 16 4.693 -13.216 -9.923 1.00 2.27 H new ATOM 0 HD2 ARG A 16 6.547 -13.034 -8.099 1.00 2.52 H new ATOM 0 HD3 ARG A 16 5.277 -13.348 -6.933 1.00 2.52 H new ATOM 0 HE ARG A 16 5.150 -15.337 -9.022 1.00 3.05 H new ATOM 0 HH11 ARG A 16 7.106 -14.303 -6.254 1.00 3.65 H new ATOM 0 HH12 ARG A 16 7.720 -15.930 -5.939 1.00 3.65 H new ATOM 0 HH21 ARG A 16 5.962 -17.392 -8.577 1.00 4.27 H new ATOM 0 HH22 ARG A 16 7.081 -17.652 -7.235 1.00 4.27 H new ATOM 224 N LYS A 17 4.984 -8.894 -6.526 1.00 1.67 N ATOM 225 CA LYS A 17 5.315 -7.487 -6.314 1.00 1.53 C ATOM 226 C LYS A 17 6.112 -6.935 -7.494 1.00 1.51 C ATOM 227 O LYS A 17 7.030 -7.579 -8.000 1.00 1.61 O ATOM 228 CB LYS A 17 6.133 -7.311 -5.030 1.00 1.59 C ATOM 229 CG LYS A 17 7.405 -8.162 -5.101 1.00 1.98 C ATOM 230 CD LYS A 17 7.804 -8.599 -3.692 1.00 2.07 C ATOM 231 CE LYS A 17 9.303 -8.900 -3.655 1.00 2.71 C ATOM 232 NZ LYS A 17 9.721 -9.168 -2.249 1.00 3.18 N ATOM 0 H LYS A 17 5.372 -9.533 -5.832 1.00 1.67 H new ATOM 0 HA LYS A 17 4.378 -6.937 -6.224 1.00 1.53 H new ATOM 0 HB2 LYS A 17 6.394 -6.261 -4.896 1.00 1.59 H new ATOM 0 HB3 LYS A 17 5.537 -7.604 -4.166 1.00 1.59 H new ATOM 0 HG2 LYS A 17 7.236 -9.036 -5.730 1.00 1.98 H new ATOM 0 HG3 LYS A 17 8.213 -7.591 -5.559 1.00 1.98 H new ATOM 0 HD2 LYS A 17 7.562 -7.815 -2.975 1.00 2.07 H new ATOM 0 HD3 LYS A 17 7.238 -9.483 -3.400 1.00 2.07 H new ATOM 0 HE2 LYS A 17 9.527 -9.762 -4.283 1.00 2.71 H new ATOM 0 HE3 LYS A 17 9.864 -8.057 -4.058 1.00 2.71 H new ATOM 0 HZ1 LYS A 17 10.740 -9.373 -2.223 1.00 3.18 H new ATOM 0 HZ2 LYS A 17 9.520 -8.333 -1.662 1.00 3.18 H new ATOM 0 HZ3 LYS A 17 9.194 -9.985 -1.880 1.00 3.18 H new ATOM 246 N ILE A 18 5.747 -5.729 -7.919 1.00 1.40 N ATOM 247 CA ILE A 18 6.430 -5.081 -9.037 1.00 1.41 C ATOM 248 C ILE A 18 7.605 -4.244 -8.512 1.00 1.34 C ATOM 249 O ILE A 18 7.479 -3.589 -7.477 1.00 1.25 O ATOM 250 CB ILE A 18 5.455 -4.169 -9.788 1.00 1.35 C ATOM 251 CG1 ILE A 18 4.224 -4.978 -10.206 1.00 1.44 C ATOM 252 CG2 ILE A 18 6.131 -3.598 -11.035 1.00 1.42 C ATOM 253 CD1 ILE A 18 3.175 -4.040 -10.805 1.00 1.39 C ATOM 0 H ILE A 18 4.988 -5.183 -7.511 1.00 1.40 H new ATOM 0 HA ILE A 18 6.802 -5.848 -9.716 1.00 1.41 H new ATOM 0 HB ILE A 18 5.155 -3.350 -9.135 1.00 1.35 H new ATOM 0 HG12 ILE A 18 4.506 -5.738 -10.935 1.00 1.44 H new ATOM 0 HG13 ILE A 18 3.810 -5.501 -9.344 1.00 1.44 H new ATOM 0 HG21 ILE A 18 5.432 -2.951 -11.564 1.00 1.42 H new ATOM 0 HG22 ILE A 18 7.008 -3.022 -10.742 1.00 1.42 H new ATOM 0 HG23 ILE A 18 6.436 -4.414 -11.690 1.00 1.42 H new ATOM 0 HD11 ILE A 18 2.299 -4.616 -11.102 1.00 1.39 H new ATOM 0 HD12 ILE A 18 2.885 -3.297 -10.062 1.00 1.39 H new ATOM 0 HD13 ILE A 18 3.592 -3.538 -11.678 1.00 1.39 H new ATOM 265 N PRO A 19 8.761 -4.246 -9.201 1.00 1.42 N ATOM 266 CA PRO A 19 9.926 -3.465 -8.747 1.00 1.41 C ATOM 267 C PRO A 19 9.796 -1.977 -9.047 1.00 1.34 C ATOM 268 O PRO A 19 9.071 -1.565 -9.952 1.00 1.33 O ATOM 269 CB PRO A 19 11.073 -4.086 -9.529 1.00 1.55 C ATOM 270 CG PRO A 19 10.468 -4.748 -10.760 1.00 1.63 C ATOM 271 CD PRO A 19 8.989 -5.006 -10.456 1.00 1.56 C ATOM 0 HA PRO A 19 10.055 -3.506 -7.665 1.00 1.41 H new ATOM 0 HB2 PRO A 19 11.799 -3.326 -9.818 1.00 1.55 H new ATOM 0 HB3 PRO A 19 11.603 -4.818 -8.919 1.00 1.55 H new ATOM 0 HG2 PRO A 19 10.575 -4.105 -11.634 1.00 1.63 H new ATOM 0 HG3 PRO A 19 10.983 -5.682 -10.987 1.00 1.63 H new ATOM 0 HD2 PRO A 19 8.345 -4.654 -11.262 1.00 1.56 H new ATOM 0 HD3 PRO A 19 8.784 -6.069 -10.326 1.00 1.56 H new ATOM 279 N LEU A 20 10.506 -1.178 -8.259 1.00 1.32 N ATOM 280 CA LEU A 20 10.469 0.274 -8.419 1.00 1.31 C ATOM 281 C LEU A 20 11.386 0.727 -9.550 1.00 1.40 C ATOM 282 O LEU A 20 11.026 1.587 -10.353 1.00 1.43 O ATOM 283 CB LEU A 20 10.900 0.958 -7.121 1.00 1.31 C ATOM 284 CG LEU A 20 10.035 0.450 -5.964 1.00 1.26 C ATOM 285 CD1 LEU A 20 10.652 0.888 -4.634 1.00 1.32 C ATOM 286 CD2 LEU A 20 8.622 1.030 -6.086 1.00 1.19 C ATOM 0 H LEU A 20 11.111 -1.507 -7.507 1.00 1.32 H new ATOM 0 HA LEU A 20 9.445 0.555 -8.663 1.00 1.31 H new ATOM 0 HB2 LEU A 20 11.951 0.752 -6.921 1.00 1.31 H new ATOM 0 HB3 LEU A 20 10.800 2.039 -7.217 1.00 1.31 H new ATOM 0 HG LEU A 20 9.985 -0.638 -6.001 1.00 1.26 H new ATOM 0 HD11 LEU A 20 10.036 0.526 -3.811 1.00 1.32 H new ATOM 0 HD12 LEU A 20 11.656 0.474 -4.545 1.00 1.32 H new ATOM 0 HD13 LEU A 20 10.704 1.976 -4.598 1.00 1.32 H new ATOM 0 HD21 LEU A 20 8.008 0.668 -5.262 1.00 1.19 H new ATOM 0 HD22 LEU A 20 8.671 2.118 -6.051 1.00 1.19 H new ATOM 0 HD23 LEU A 20 8.181 0.717 -7.032 1.00 1.19 H new ATOM 298 N GLN A 21 12.580 0.146 -9.599 1.00 1.48 N ATOM 299 CA GLN A 21 13.552 0.503 -10.631 1.00 1.59 C ATOM 300 C GLN A 21 12.985 0.256 -12.027 1.00 1.61 C ATOM 301 O GLN A 21 13.343 0.938 -12.987 1.00 1.69 O ATOM 302 CB GLN A 21 14.836 -0.311 -10.464 1.00 1.68 C ATOM 303 CG GLN A 21 15.948 0.311 -11.310 1.00 1.78 C ATOM 304 CD GLN A 21 17.301 0.000 -10.678 1.00 1.91 C ATOM 305 OE1 GLN A 21 17.950 0.883 -10.118 1.00 2.31 O ATOM 306 NE2 GLN A 21 17.770 -1.217 -10.737 1.00 2.28 N ATOM 0 H GLN A 21 12.898 -0.568 -8.944 1.00 1.48 H new ATOM 0 HA GLN A 21 13.774 1.564 -10.519 1.00 1.59 H new ATOM 0 HB2 GLN A 21 15.132 -0.333 -9.415 1.00 1.68 H new ATOM 0 HB3 GLN A 21 14.667 -1.344 -10.769 1.00 1.68 H new ATOM 0 HG2 GLN A 21 15.910 -0.082 -12.326 1.00 1.78 H new ATOM 0 HG3 GLN A 21 15.806 1.389 -11.380 1.00 1.78 H new ATOM 0 HE21 GLN A 21 17.232 -1.949 -11.201 1.00 2.28 H new ATOM 0 HE22 GLN A 21 18.674 -1.436 -10.319 1.00 2.28 H new ATOM 315 N ARG A 22 12.095 -0.725 -12.130 1.00 1.58 N ATOM 316 CA ARG A 22 11.483 -1.052 -13.413 1.00 1.64 C ATOM 317 C ARG A 22 10.140 -0.333 -13.592 1.00 1.57 C ATOM 318 O ARG A 22 9.568 -0.340 -14.681 1.00 1.65 O ATOM 319 CB ARG A 22 11.253 -2.559 -13.512 1.00 1.67 C ATOM 320 CG ARG A 22 11.316 -2.999 -14.981 1.00 1.81 C ATOM 321 CD ARG A 22 12.089 -4.315 -15.094 1.00 2.19 C ATOM 322 NE ARG A 22 11.552 -5.314 -14.165 1.00 2.69 N ATOM 323 CZ ARG A 22 12.222 -6.434 -13.858 1.00 3.31 C ATOM 324 NH1 ARG A 22 13.397 -6.689 -14.383 1.00 3.61 N ATOM 325 NH2 ARG A 22 11.695 -7.288 -13.023 1.00 4.07 N ATOM 0 H ARG A 22 11.783 -1.303 -11.349 1.00 1.58 H new ATOM 0 HA ARG A 22 12.164 -0.722 -14.197 1.00 1.64 H new ATOM 0 HB2 ARG A 22 12.007 -3.090 -12.931 1.00 1.67 H new ATOM 0 HB3 ARG A 22 10.283 -2.817 -13.087 1.00 1.67 H new ATOM 0 HG2 ARG A 22 10.308 -3.123 -15.377 1.00 1.81 H new ATOM 0 HG3 ARG A 22 11.801 -2.229 -15.581 1.00 1.81 H new ATOM 0 HD2 ARG A 22 12.028 -4.691 -16.115 1.00 2.19 H new ATOM 0 HD3 ARG A 22 13.144 -4.142 -14.880 1.00 2.19 H new ATOM 0 HE ARG A 22 10.640 -5.152 -13.739 1.00 2.69 H new ATOM 0 HH11 ARG A 22 13.817 -6.029 -15.038 1.00 3.61 H new ATOM 0 HH12 ARG A 22 13.890 -7.547 -14.136 1.00 3.61 H new ATOM 0 HH21 ARG A 22 10.781 -7.100 -12.610 1.00 4.07 H new ATOM 0 HH22 ARG A 22 12.197 -8.143 -12.783 1.00 4.07 H new ATOM 339 N LEU A 23 9.637 0.280 -12.518 1.00 1.46 N ATOM 340 CA LEU A 23 8.359 0.985 -12.590 1.00 1.41 C ATOM 341 C LEU A 23 8.508 2.309 -13.333 1.00 1.51 C ATOM 342 O LEU A 23 9.492 3.030 -13.164 1.00 1.58 O ATOM 343 CB LEU A 23 7.822 1.263 -11.179 1.00 1.30 C ATOM 344 CG LEU A 23 6.753 0.230 -10.819 1.00 1.21 C ATOM 345 CD1 LEU A 23 6.387 0.368 -9.336 1.00 1.12 C ATOM 346 CD2 LEU A 23 5.508 0.467 -11.678 1.00 1.22 C ATOM 0 H LEU A 23 10.088 0.302 -11.603 1.00 1.46 H new ATOM 0 HA LEU A 23 7.659 0.348 -13.131 1.00 1.41 H new ATOM 0 HB2 LEU A 23 8.637 1.224 -10.456 1.00 1.30 H new ATOM 0 HB3 LEU A 23 7.401 2.267 -11.131 1.00 1.30 H new ATOM 0 HG LEU A 23 7.138 -0.773 -11.005 1.00 1.21 H new ATOM 0 HD11 LEU A 23 5.625 -0.368 -9.079 1.00 1.12 H new ATOM 0 HD12 LEU A 23 7.274 0.200 -8.725 1.00 1.12 H new ATOM 0 HD13 LEU A 23 6.001 1.370 -9.148 1.00 1.12 H new ATOM 0 HD21 LEU A 23 4.745 -0.268 -11.423 1.00 1.22 H new ATOM 0 HD22 LEU A 23 5.123 1.469 -11.492 1.00 1.22 H new ATOM 0 HD23 LEU A 23 5.769 0.369 -12.732 1.00 1.22 H new ATOM 358 N GLU A 24 7.507 2.622 -14.149 1.00 1.55 N ATOM 359 CA GLU A 24 7.513 3.868 -14.912 1.00 1.66 C ATOM 360 C GLU A 24 6.427 4.806 -14.394 1.00 1.63 C ATOM 361 O GLU A 24 6.617 6.019 -14.314 1.00 1.71 O ATOM 362 CB GLU A 24 7.268 3.591 -16.397 1.00 1.79 C ATOM 363 CG GLU A 24 7.946 4.673 -17.237 1.00 2.10 C ATOM 364 CD GLU A 24 7.529 4.521 -18.697 1.00 2.48 C ATOM 365 OE1 GLU A 24 6.338 4.444 -18.946 1.00 2.89 O ATOM 366 OE2 GLU A 24 8.408 4.483 -19.543 1.00 3.03 O ATOM 0 H GLU A 24 6.686 2.036 -14.300 1.00 1.55 H new ATOM 0 HA GLU A 24 8.490 4.335 -14.791 1.00 1.66 H new ATOM 0 HB2 GLU A 24 7.660 2.610 -16.664 1.00 1.79 H new ATOM 0 HB3 GLU A 24 6.198 3.574 -16.603 1.00 1.79 H new ATOM 0 HG2 GLU A 24 7.668 5.661 -16.869 1.00 2.10 H new ATOM 0 HG3 GLU A 24 9.029 4.593 -17.147 1.00 2.10 H new ATOM 373 N SER A 25 5.282 4.223 -14.041 1.00 1.54 N ATOM 374 CA SER A 25 4.157 5.002 -13.525 1.00 1.52 C ATOM 375 C SER A 25 2.987 4.077 -13.205 1.00 1.41 C ATOM 376 O SER A 25 3.025 2.884 -13.508 1.00 1.40 O ATOM 377 CB SER A 25 3.704 6.042 -14.550 1.00 1.67 C ATOM 378 OG SER A 25 3.907 5.527 -15.860 1.00 2.07 O ATOM 0 H SER A 25 5.109 3.220 -14.102 1.00 1.54 H new ATOM 0 HA SER A 25 4.484 5.513 -12.619 1.00 1.52 H new ATOM 0 HB2 SER A 25 2.652 6.283 -14.400 1.00 1.67 H new ATOM 0 HB3 SER A 25 4.265 6.967 -14.419 1.00 1.67 H new ATOM 0 HG SER A 25 3.616 6.190 -16.521 1.00 2.07 H new ATOM 384 N TYR A 26 1.942 4.633 -12.593 1.00 1.39 N ATOM 385 CA TYR A 26 0.771 3.830 -12.248 1.00 1.30 C ATOM 386 C TYR A 26 -0.520 4.574 -12.602 1.00 1.36 C ATOM 387 O TYR A 26 -0.526 5.794 -12.772 1.00 1.44 O ATOM 388 CB TYR A 26 0.803 3.441 -10.750 1.00 1.15 C ATOM 389 CG TYR A 26 0.292 4.559 -9.857 1.00 1.13 C ATOM 390 CD1 TYR A 26 1.158 5.575 -9.437 1.00 1.57 C ATOM 391 CD2 TYR A 26 -1.048 4.568 -9.448 1.00 1.74 C ATOM 392 CE1 TYR A 26 0.685 6.599 -8.608 1.00 1.62 C ATOM 393 CE2 TYR A 26 -1.520 5.593 -8.618 1.00 1.73 C ATOM 394 CZ TYR A 26 -0.653 6.608 -8.198 1.00 1.19 C ATOM 395 OH TYR A 26 -1.118 7.619 -7.381 1.00 1.28 O ATOM 0 H TYR A 26 1.882 5.617 -12.330 1.00 1.39 H new ATOM 0 HA TYR A 26 0.795 2.911 -12.834 1.00 1.30 H new ATOM 0 HB2 TYR A 26 0.197 2.548 -10.595 1.00 1.15 H new ATOM 0 HB3 TYR A 26 1.824 3.187 -10.464 1.00 1.15 H new ATOM 0 HD1 TYR A 26 2.191 5.569 -9.752 1.00 1.57 H new ATOM 0 HD2 TYR A 26 -1.717 3.785 -9.773 1.00 1.74 H new ATOM 0 HE1 TYR A 26 1.354 7.383 -8.284 1.00 1.62 H new ATOM 0 HE2 TYR A 26 -2.553 5.600 -8.302 1.00 1.73 H new ATOM 0 HH TYR A 26 -0.518 8.391 -7.443 1.00 1.28 H new ATOM 405 N ARG A 27 -1.611 3.823 -12.713 1.00 1.34 N ATOM 406 CA ARG A 27 -2.903 4.415 -13.047 1.00 1.42 C ATOM 407 C ARG A 27 -4.015 3.765 -12.231 1.00 1.32 C ATOM 408 O ARG A 27 -4.142 2.541 -12.189 1.00 1.29 O ATOM 409 CB ARG A 27 -3.206 4.234 -14.536 1.00 1.57 C ATOM 410 CG ARG A 27 -4.409 5.097 -14.923 1.00 1.91 C ATOM 411 CD ARG A 27 -3.922 6.461 -15.415 1.00 2.15 C ATOM 412 NE ARG A 27 -3.771 6.459 -16.873 1.00 2.51 N ATOM 413 CZ ARG A 27 -3.259 7.505 -17.538 1.00 2.96 C ATOM 414 NH1 ARG A 27 -2.866 8.587 -16.907 1.00 3.26 N ATOM 415 NH2 ARG A 27 -3.150 7.446 -18.837 1.00 3.60 N ATOM 0 H ARG A 27 -1.628 2.812 -12.578 1.00 1.34 H new ATOM 0 HA ARG A 27 -2.856 5.479 -12.813 1.00 1.42 H new ATOM 0 HB2 ARG A 27 -2.337 4.515 -15.131 1.00 1.57 H new ATOM 0 HB3 ARG A 27 -3.413 3.186 -14.751 1.00 1.57 H new ATOM 0 HG2 ARG A 27 -4.988 4.603 -15.703 1.00 1.91 H new ATOM 0 HG3 ARG A 27 -5.070 5.223 -14.066 1.00 1.91 H new ATOM 0 HD2 ARG A 27 -4.630 7.235 -15.118 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -2.969 6.704 -14.945 1.00 2.15 H new ATOM 0 HE ARG A 27 -4.065 5.636 -17.399 1.00 2.51 H new ATOM 0 HH11 ARG A 27 -2.947 8.643 -15.892 1.00 3.26 H new ATOM 0 HH12 ARG A 27 -2.479 9.371 -17.432 1.00 3.26 H new ATOM 0 HH21 ARG A 27 -3.453 6.610 -19.337 1.00 3.60 H new ATOM 0 HH22 ARG A 27 -2.762 8.236 -19.353 1.00 3.60 H new ATOM 429 N ARG A 28 -4.822 4.601 -11.582 1.00 1.31 N ATOM 430 CA ARG A 28 -5.926 4.101 -10.767 1.00 1.25 C ATOM 431 C ARG A 28 -7.251 4.301 -11.491 1.00 1.35 C ATOM 432 O ARG A 28 -7.456 5.299 -12.183 1.00 1.48 O ATOM 433 CB ARG A 28 -5.972 4.830 -9.424 1.00 1.26 C ATOM 434 CG ARG A 28 -6.960 4.134 -8.483 1.00 1.25 C ATOM 435 CD ARG A 28 -7.669 5.180 -7.620 1.00 1.52 C ATOM 436 NE ARG A 28 -6.948 5.387 -6.361 1.00 1.69 N ATOM 437 CZ ARG A 28 -7.451 6.129 -5.365 1.00 2.01 C ATOM 438 NH1 ARG A 28 -8.622 6.711 -5.474 1.00 2.51 N ATOM 439 NH2 ARG A 28 -6.764 6.277 -4.266 1.00 2.49 N ATOM 0 H ARG A 28 -4.734 5.617 -11.604 1.00 1.31 H new ATOM 0 HA ARG A 28 -5.765 3.037 -10.594 1.00 1.25 H new ATOM 0 HB2 ARG A 28 -4.979 4.845 -8.975 1.00 1.26 H new ATOM 0 HB3 ARG A 28 -6.270 5.868 -9.574 1.00 1.26 H new ATOM 0 HG2 ARG A 28 -7.691 3.568 -9.060 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -6.433 3.421 -7.849 1.00 1.25 H new ATOM 0 HD2 ARG A 28 -7.738 6.122 -8.164 1.00 1.52 H new ATOM 0 HD3 ARG A 28 -8.689 4.856 -7.412 1.00 1.52 H new ATOM 0 HE ARG A 28 -6.033 4.952 -6.239 1.00 1.69 H new ATOM 0 HH11 ARG A 28 -9.168 6.603 -6.329 1.00 2.51 H new ATOM 0 HH12 ARG A 28 -8.987 7.272 -4.704 1.00 2.51 H new ATOM 0 HH21 ARG A 28 -5.852 5.830 -4.170 1.00 2.49 H new ATOM 0 HH22 ARG A 28 -7.139 6.840 -3.502 1.00 2.49 H new ATOM 453 N ILE A 29 -8.145 3.337 -11.322 1.00 1.33 N ATOM 454 CA ILE A 29 -9.456 3.402 -11.959 1.00 1.45 C ATOM 455 C ILE A 29 -10.549 3.546 -10.905 1.00 1.43 C ATOM 456 O ILE A 29 -10.553 2.845 -9.894 1.00 1.36 O ATOM 457 CB ILE A 29 -9.718 2.138 -12.779 1.00 1.51 C ATOM 458 CG1 ILE A 29 -8.542 1.886 -13.727 1.00 1.57 C ATOM 459 CG2 ILE A 29 -10.998 2.316 -13.596 1.00 1.67 C ATOM 460 CD1 ILE A 29 -8.705 0.517 -14.391 1.00 1.70 C ATOM 0 H ILE A 29 -7.990 2.505 -10.753 1.00 1.33 H new ATOM 0 HA ILE A 29 -9.468 4.269 -12.619 1.00 1.45 H new ATOM 0 HB ILE A 29 -9.829 1.288 -12.105 1.00 1.51 H new ATOM 0 HG12 ILE A 29 -8.499 2.667 -14.486 1.00 1.57 H new ATOM 0 HG13 ILE A 29 -7.602 1.925 -13.176 1.00 1.57 H new ATOM 0 HG21 ILE A 29 -11.185 1.415 -14.181 1.00 1.67 H new ATOM 0 HG22 ILE A 29 -11.837 2.493 -12.923 1.00 1.67 H new ATOM 0 HG23 ILE A 29 -10.886 3.167 -14.267 1.00 1.67 H new ATOM 0 HD11 ILE A 29 -7.868 0.338 -15.066 1.00 1.70 H new ATOM 0 HD12 ILE A 29 -8.726 -0.259 -13.625 1.00 1.70 H new ATOM 0 HD13 ILE A 29 -9.637 0.495 -14.956 1.00 1.70 H new ATOM 472 N THR A 30 -11.478 4.462 -11.158 1.00 1.59 N ATOM 473 CA THR A 30 -12.580 4.695 -10.228 1.00 1.64 C ATOM 474 C THR A 30 -13.725 5.422 -10.928 1.00 1.87 C ATOM 475 O THR A 30 -14.458 6.194 -10.311 1.00 2.31 O ATOM 476 CB THR A 30 -12.112 5.535 -9.037 1.00 1.74 C ATOM 477 OG1 THR A 30 -10.730 5.297 -8.804 1.00 2.30 O ATOM 478 CG2 THR A 30 -12.915 5.154 -7.793 1.00 2.22 C ATOM 0 H THR A 30 -11.492 5.051 -11.991 1.00 1.59 H new ATOM 0 HA THR A 30 -12.927 3.725 -9.872 1.00 1.64 H new ATOM 0 HB THR A 30 -12.267 6.592 -9.255 1.00 1.74 H new ATOM 0 HG1 THR A 30 -10.354 6.036 -8.281 1.00 2.30 H new ATOM 0 HG21 THR A 30 -12.580 5.753 -6.946 1.00 2.22 H new ATOM 0 HG22 THR A 30 -13.974 5.339 -7.973 1.00 2.22 H new ATOM 0 HG23 THR A 30 -12.764 4.097 -7.572 1.00 2.22 H new ATOM 486 N SER A 31 -13.868 5.168 -12.226 1.00 2.05 N ATOM 487 CA SER A 31 -14.923 5.804 -13.004 1.00 2.29 C ATOM 488 C SER A 31 -16.279 5.189 -12.671 1.00 2.24 C ATOM 489 O SER A 31 -16.401 4.374 -11.757 1.00 2.70 O ATOM 490 CB SER A 31 -14.657 5.642 -14.501 1.00 3.07 C ATOM 491 OG SER A 31 -15.368 6.643 -15.217 1.00 3.47 O ATOM 0 H SER A 31 -13.272 4.532 -12.756 1.00 2.05 H new ATOM 0 HA SER A 31 -14.933 6.864 -12.750 1.00 2.29 H new ATOM 0 HB2 SER A 31 -13.589 5.724 -14.703 1.00 3.07 H new ATOM 0 HB3 SER A 31 -14.969 4.651 -14.832 1.00 3.07 H new ATOM 0 HG SER A 31 -15.198 6.542 -16.177 1.00 3.47 H new ATOM 497 N GLY A 32 -17.296 5.591 -13.428 1.00 2.23 N ATOM 498 CA GLY A 32 -18.645 5.076 -13.210 1.00 2.54 C ATOM 499 C GLY A 32 -18.875 3.781 -13.988 1.00 2.44 C ATOM 500 O GLY A 32 -19.727 2.970 -13.625 1.00 2.68 O ATOM 0 H GLY A 32 -17.214 6.264 -14.190 1.00 2.23 H new ATOM 0 HA2 GLY A 32 -18.801 4.897 -12.146 1.00 2.54 H new ATOM 0 HA3 GLY A 32 -19.376 5.823 -13.518 1.00 2.54 H new ATOM 504 N LYS A 33 -18.111 3.594 -15.064 1.00 2.37 N ATOM 505 CA LYS A 33 -18.250 2.392 -15.882 1.00 2.49 C ATOM 506 C LYS A 33 -17.751 1.166 -15.125 1.00 2.30 C ATOM 507 O LYS A 33 -18.259 0.060 -15.304 1.00 2.48 O ATOM 508 CB LYS A 33 -17.454 2.535 -17.181 1.00 2.87 C ATOM 509 CG LYS A 33 -18.221 3.434 -18.153 1.00 3.62 C ATOM 510 CD LYS A 33 -17.235 4.129 -19.094 1.00 4.07 C ATOM 511 CE LYS A 33 -17.904 4.371 -20.449 1.00 4.74 C ATOM 512 NZ LYS A 33 -17.702 3.181 -21.322 1.00 5.35 N ATOM 0 H LYS A 33 -17.399 4.250 -15.386 1.00 2.37 H new ATOM 0 HA LYS A 33 -19.307 2.266 -16.115 1.00 2.49 H new ATOM 0 HB2 LYS A 33 -16.472 2.960 -16.973 1.00 2.87 H new ATOM 0 HB3 LYS A 33 -17.289 1.555 -17.629 1.00 2.87 H new ATOM 0 HG2 LYS A 33 -18.933 2.842 -18.728 1.00 3.62 H new ATOM 0 HG3 LYS A 33 -18.797 4.176 -17.601 1.00 3.62 H new ATOM 0 HD2 LYS A 33 -16.911 5.076 -18.663 1.00 4.07 H new ATOM 0 HD3 LYS A 33 -16.344 3.515 -19.221 1.00 4.07 H new ATOM 0 HE2 LYS A 33 -18.969 4.559 -20.312 1.00 4.74 H new ATOM 0 HE3 LYS A 33 -17.482 5.258 -20.922 1.00 4.74 H new ATOM 0 HZ1 LYS A 33 -18.156 3.345 -22.243 1.00 5.35 H new ATOM 0 HZ2 LYS A 33 -16.684 3.022 -21.462 1.00 5.35 H new ATOM 0 HZ3 LYS A 33 -18.125 2.344 -20.872 1.00 5.35 H new ATOM 526 N CYS A 34 -16.748 1.373 -14.276 1.00 2.10 N ATOM 527 CA CYS A 34 -16.189 0.272 -13.495 1.00 1.97 C ATOM 528 C CYS A 34 -17.083 -0.035 -12.286 1.00 2.00 C ATOM 529 O CYS A 34 -17.634 0.880 -11.674 1.00 2.06 O ATOM 530 CB CYS A 34 -14.780 0.624 -12.994 1.00 1.79 C ATOM 531 SG CYS A 34 -13.531 -0.170 -14.034 1.00 1.82 S ATOM 0 H CYS A 34 -16.310 2.280 -14.112 1.00 2.10 H new ATOM 0 HA CYS A 34 -16.135 -0.603 -14.143 1.00 1.97 H new ATOM 0 HB2 CYS A 34 -14.641 1.705 -13.007 1.00 1.79 H new ATOM 0 HB3 CYS A 34 -14.662 0.300 -11.960 1.00 1.79 H new ATOM 536 N PRO A 35 -17.235 -1.321 -11.916 1.00 2.03 N ATOM 537 CA PRO A 35 -18.067 -1.701 -10.760 1.00 2.12 C ATOM 538 C PRO A 35 -17.308 -1.589 -9.439 1.00 1.98 C ATOM 539 O PRO A 35 -17.892 -1.325 -8.388 1.00 2.08 O ATOM 540 CB PRO A 35 -18.400 -3.155 -11.063 1.00 2.27 C ATOM 541 CG PRO A 35 -17.303 -3.681 -11.983 1.00 2.22 C ATOM 542 CD PRO A 35 -16.605 -2.470 -12.610 1.00 2.06 C ATOM 0 HA PRO A 35 -18.937 -1.056 -10.638 1.00 2.12 H new ATOM 0 HB2 PRO A 35 -18.446 -3.740 -10.144 1.00 2.27 H new ATOM 0 HB3 PRO A 35 -19.376 -3.236 -11.541 1.00 2.27 H new ATOM 0 HG2 PRO A 35 -16.590 -4.286 -11.422 1.00 2.22 H new ATOM 0 HG3 PRO A 35 -17.726 -4.322 -12.756 1.00 2.22 H new ATOM 0 HD2 PRO A 35 -15.528 -2.497 -12.448 1.00 2.06 H new ATOM 0 HD3 PRO A 35 -16.764 -2.426 -13.687 1.00 2.06 H new ATOM 550 N GLN A 36 -15.996 -1.797 -9.511 1.00 1.80 N ATOM 551 CA GLN A 36 -15.152 -1.724 -8.322 1.00 1.69 C ATOM 552 C GLN A 36 -13.932 -0.845 -8.589 1.00 1.54 C ATOM 553 O GLN A 36 -13.790 -0.268 -9.667 1.00 1.55 O ATOM 554 CB GLN A 36 -14.680 -3.122 -7.916 1.00 1.77 C ATOM 555 CG GLN A 36 -13.989 -3.796 -9.103 1.00 1.97 C ATOM 556 CD GLN A 36 -12.837 -4.660 -8.601 1.00 2.66 C ATOM 557 OE1 GLN A 36 -13.053 -5.766 -8.104 1.00 3.13 O ATOM 558 NE2 GLN A 36 -11.613 -4.219 -8.703 1.00 3.28 N ATOM 0 H GLN A 36 -15.497 -2.016 -10.373 1.00 1.80 H new ATOM 0 HA GLN A 36 -15.742 -1.291 -7.514 1.00 1.69 H new ATOM 0 HB2 GLN A 36 -13.993 -3.054 -7.073 1.00 1.77 H new ATOM 0 HB3 GLN A 36 -15.529 -3.722 -7.588 1.00 1.77 H new ATOM 0 HG2 GLN A 36 -14.704 -4.409 -9.653 1.00 1.97 H new ATOM 0 HG3 GLN A 36 -13.616 -3.042 -9.796 1.00 1.97 H new ATOM 0 HE21 GLN A 36 -11.434 -3.303 -9.115 1.00 3.28 H new ATOM 0 HE22 GLN A 36 -10.836 -4.790 -8.371 1.00 3.28 H new ATOM 567 N LYS A 37 -13.055 -0.750 -7.593 1.00 1.47 N ATOM 568 CA LYS A 37 -11.848 0.061 -7.727 1.00 1.36 C ATOM 569 C LYS A 37 -10.627 -0.830 -7.936 1.00 1.24 C ATOM 570 O LYS A 37 -10.645 -2.017 -7.610 1.00 1.26 O ATOM 571 CB LYS A 37 -11.635 0.911 -6.472 1.00 1.41 C ATOM 572 CG LYS A 37 -10.502 1.909 -6.717 1.00 2.00 C ATOM 573 CD LYS A 37 -10.601 3.051 -5.704 1.00 2.27 C ATOM 574 CE LYS A 37 -9.914 2.639 -4.400 1.00 2.94 C ATOM 575 NZ LYS A 37 -9.762 3.832 -3.520 1.00 3.31 N ATOM 0 H LYS A 37 -13.155 -1.219 -6.693 1.00 1.47 H new ATOM 0 HA LYS A 37 -11.974 0.713 -8.592 1.00 1.36 H new ATOM 0 HB2 LYS A 37 -12.553 1.442 -6.219 1.00 1.41 H new ATOM 0 HB3 LYS A 37 -11.393 0.271 -5.623 1.00 1.41 H new ATOM 0 HG2 LYS A 37 -9.537 1.410 -6.626 1.00 2.00 H new ATOM 0 HG3 LYS A 37 -10.562 2.302 -7.732 1.00 2.00 H new ATOM 0 HD2 LYS A 37 -10.132 3.949 -6.106 1.00 2.27 H new ATOM 0 HD3 LYS A 37 -11.647 3.294 -5.515 1.00 2.27 H new ATOM 0 HE2 LYS A 37 -10.501 1.873 -3.894 1.00 2.94 H new ATOM 0 HE3 LYS A 37 -8.937 2.204 -4.613 1.00 2.94 H new ATOM 0 HZ1 LYS A 37 -9.295 3.552 -2.634 1.00 3.31 H new ATOM 0 HZ2 LYS A 37 -9.185 4.549 -4.004 1.00 3.31 H new ATOM 0 HZ3 LYS A 37 -10.700 4.228 -3.307 1.00 3.31 H new ATOM 589 N ALA A 38 -9.566 -0.246 -8.487 1.00 1.19 N ATOM 590 CA ALA A 38 -8.339 -0.999 -8.737 1.00 1.12 C ATOM 591 C ALA A 38 -7.221 -0.068 -9.202 1.00 1.08 C ATOM 592 O ALA A 38 -7.397 1.147 -9.283 1.00 1.13 O ATOM 593 CB ALA A 38 -8.577 -2.066 -9.806 1.00 1.22 C ATOM 0 H ALA A 38 -9.530 0.734 -8.766 1.00 1.19 H new ATOM 0 HA ALA A 38 -8.044 -1.478 -7.803 1.00 1.12 H new ATOM 0 HB1 ALA A 38 -7.654 -2.618 -9.981 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -9.352 -2.753 -9.468 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -8.895 -1.588 -10.733 1.00 1.22 H new ATOM 599 N VAL A 39 -6.069 -0.660 -9.507 1.00 1.06 N ATOM 600 CA VAL A 39 -4.918 0.114 -9.965 1.00 1.05 C ATOM 601 C VAL A 39 -4.162 -0.653 -11.045 1.00 1.10 C ATOM 602 O VAL A 39 -4.272 -1.874 -11.156 1.00 1.14 O ATOM 603 CB VAL A 39 -3.964 0.402 -8.797 1.00 0.95 C ATOM 604 CG1 VAL A 39 -2.805 1.288 -9.267 1.00 0.89 C ATOM 605 CG2 VAL A 39 -4.726 1.126 -7.687 1.00 0.98 C ATOM 0 H VAL A 39 -5.908 -1.665 -9.446 1.00 1.06 H new ATOM 0 HA VAL A 39 -5.285 1.056 -10.373 1.00 1.05 H new ATOM 0 HB VAL A 39 -3.567 -0.542 -8.424 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -2.135 1.485 -8.430 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -2.256 0.779 -10.059 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.199 2.231 -9.647 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -4.051 1.332 -6.856 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -5.124 2.065 -8.072 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -5.547 0.498 -7.340 1.00 0.98 H new ATOM 615 N ILE A 40 -3.381 0.080 -11.829 1.00 1.16 N ATOM 616 CA ILE A 40 -2.589 -0.530 -12.892 1.00 1.25 C ATOM 617 C ILE A 40 -1.185 0.063 -12.892 1.00 1.21 C ATOM 618 O ILE A 40 -1.012 1.280 -12.856 1.00 1.20 O ATOM 619 CB ILE A 40 -3.232 -0.296 -14.260 1.00 1.40 C ATOM 620 CG1 ILE A 40 -4.705 -0.711 -14.212 1.00 1.45 C ATOM 621 CG2 ILE A 40 -2.503 -1.136 -15.310 1.00 1.53 C ATOM 622 CD1 ILE A 40 -5.392 -0.307 -15.518 1.00 1.73 C ATOM 0 H ILE A 40 -3.279 1.092 -11.750 1.00 1.16 H new ATOM 0 HA ILE A 40 -2.542 -1.603 -12.707 1.00 1.25 H new ATOM 0 HB ILE A 40 -3.161 0.760 -14.520 1.00 1.40 H new ATOM 0 HG12 ILE A 40 -4.786 -1.788 -14.064 1.00 1.45 H new ATOM 0 HG13 ILE A 40 -5.200 -0.235 -13.366 1.00 1.45 H new ATOM 0 HG21 ILE A 40 -2.958 -0.972 -16.287 1.00 1.53 H new ATOM 0 HG22 ILE A 40 -1.453 -0.844 -15.345 1.00 1.53 H new ATOM 0 HG23 ILE A 40 -2.577 -2.191 -15.047 1.00 1.53 H new ATOM 0 HD11 ILE A 40 -6.441 -0.602 -15.484 1.00 1.73 H new ATOM 0 HD12 ILE A 40 -5.323 0.773 -15.646 1.00 1.73 H new ATOM 0 HD13 ILE A 40 -4.902 -0.804 -16.356 1.00 1.73 H new ATOM 634 N PHE A 41 -0.182 -0.809 -12.916 1.00 1.24 N ATOM 635 CA PHE A 41 1.204 -0.350 -12.900 1.00 1.23 C ATOM 636 C PHE A 41 1.873 -0.566 -14.250 1.00 1.38 C ATOM 637 O PHE A 41 1.579 -1.523 -14.967 1.00 1.49 O ATOM 638 CB PHE A 41 2.000 -1.099 -11.832 1.00 1.17 C ATOM 639 CG PHE A 41 1.609 -0.587 -10.470 1.00 1.03 C ATOM 640 CD1 PHE A 41 1.910 0.730 -10.108 1.00 1.01 C ATOM 641 CD2 PHE A 41 0.943 -1.426 -9.571 1.00 0.96 C ATOM 642 CE1 PHE A 41 1.543 1.209 -8.846 1.00 0.93 C ATOM 643 CE2 PHE A 41 0.577 -0.948 -8.308 1.00 0.87 C ATOM 644 CZ PHE A 41 0.876 0.371 -7.945 1.00 0.85 C ATOM 0 H PHE A 41 -0.298 -1.822 -12.946 1.00 1.24 H new ATOM 0 HA PHE A 41 1.191 0.717 -12.676 1.00 1.23 H new ATOM 0 HB2 PHE A 41 1.805 -2.169 -11.901 1.00 1.17 H new ATOM 0 HB3 PHE A 41 3.069 -0.958 -11.993 1.00 1.17 H new ATOM 0 HD1 PHE A 41 2.426 1.377 -10.802 1.00 1.01 H new ATOM 0 HD2 PHE A 41 0.711 -2.443 -9.852 1.00 0.96 H new ATOM 0 HE1 PHE A 41 1.775 2.226 -8.567 1.00 0.93 H new ATOM 0 HE2 PHE A 41 0.064 -1.596 -7.613 1.00 0.87 H new ATOM 0 HZ PHE A 41 0.592 0.741 -6.971 1.00 0.85 H new ATOM 654 N LYS A 42 2.796 0.333 -14.575 1.00 1.40 N ATOM 655 CA LYS A 42 3.535 0.244 -15.829 1.00 1.55 C ATOM 656 C LYS A 42 5.021 0.100 -15.532 1.00 1.55 C ATOM 657 O LYS A 42 5.584 0.846 -14.731 1.00 1.50 O ATOM 658 CB LYS A 42 3.317 1.493 -16.686 1.00 1.64 C ATOM 659 CG LYS A 42 1.818 1.784 -16.803 1.00 2.00 C ATOM 660 CD LYS A 42 1.406 2.785 -15.721 1.00 2.06 C ATOM 661 CE LYS A 42 0.098 3.467 -16.127 1.00 2.75 C ATOM 662 NZ LYS A 42 -0.950 2.432 -16.358 1.00 2.95 N ATOM 0 H LYS A 42 3.050 1.129 -13.990 1.00 1.40 H new ATOM 0 HA LYS A 42 3.172 -0.625 -16.378 1.00 1.55 H new ATOM 0 HB2 LYS A 42 3.829 2.346 -16.240 1.00 1.64 H new ATOM 0 HB3 LYS A 42 3.747 1.346 -17.677 1.00 1.64 H new ATOM 0 HG2 LYS A 42 1.591 2.186 -17.790 1.00 2.00 H new ATOM 0 HG3 LYS A 42 1.248 0.861 -16.695 1.00 2.00 H new ATOM 0 HD2 LYS A 42 1.281 2.274 -14.767 1.00 2.06 H new ATOM 0 HD3 LYS A 42 2.189 3.530 -15.583 1.00 2.06 H new ATOM 0 HE2 LYS A 42 -0.223 4.157 -15.346 1.00 2.75 H new ATOM 0 HE3 LYS A 42 0.248 4.056 -17.031 1.00 2.75 H new ATOM 0 HZ1 LYS A 42 -1.878 2.892 -16.450 1.00 2.95 H new ATOM 0 HZ2 LYS A 42 -0.735 1.909 -17.231 1.00 2.95 H new ATOM 0 HZ3 LYS A 42 -0.969 1.772 -15.555 1.00 2.95 H new ATOM 676 N THR A 43 5.649 -0.873 -16.176 1.00 1.64 N ATOM 677 CA THR A 43 7.073 -1.117 -15.963 1.00 1.67 C ATOM 678 C THR A 43 7.889 -0.535 -17.119 1.00 1.80 C ATOM 679 O THR A 43 7.374 0.229 -17.935 1.00 1.84 O ATOM 680 CB THR A 43 7.351 -2.622 -15.853 1.00 1.74 C ATOM 681 OG1 THR A 43 7.202 -3.223 -17.130 1.00 1.89 O ATOM 682 CG2 THR A 43 6.371 -3.264 -14.868 1.00 1.67 C ATOM 0 H THR A 43 5.203 -1.502 -16.844 1.00 1.64 H new ATOM 0 HA THR A 43 7.365 -0.631 -15.032 1.00 1.67 H new ATOM 0 HB THR A 43 8.369 -2.773 -15.493 1.00 1.74 H new ATOM 0 HG1 THR A 43 7.381 -4.184 -17.062 1.00 1.89 H new ATOM 0 HG21 THR A 43 6.575 -4.332 -14.796 1.00 1.67 H new ATOM 0 HG22 THR A 43 6.489 -2.805 -13.886 1.00 1.67 H new ATOM 0 HG23 THR A 43 5.350 -3.113 -15.219 1.00 1.67 H new ATOM 690 N LYS A 44 9.167 -0.907 -17.179 1.00 1.88 N ATOM 691 CA LYS A 44 10.044 -0.414 -18.239 1.00 2.01 C ATOM 692 C LYS A 44 10.169 -1.444 -19.361 1.00 2.17 C ATOM 693 O LYS A 44 11.194 -1.523 -20.036 1.00 2.32 O ATOM 694 CB LYS A 44 11.437 -0.116 -17.681 1.00 2.03 C ATOM 695 CG LYS A 44 12.251 0.656 -18.721 1.00 2.23 C ATOM 696 CD LYS A 44 13.300 1.517 -18.014 1.00 2.47 C ATOM 697 CE LYS A 44 12.741 2.923 -17.788 1.00 2.77 C ATOM 698 NZ LYS A 44 11.528 2.843 -16.926 1.00 3.19 N ATOM 0 H LYS A 44 9.613 -1.540 -16.515 1.00 1.88 H new ATOM 0 HA LYS A 44 9.605 0.501 -18.638 1.00 2.01 H new ATOM 0 HB2 LYS A 44 11.355 0.466 -16.763 1.00 2.03 H new ATOM 0 HB3 LYS A 44 11.944 -1.046 -17.425 1.00 2.03 H new ATOM 0 HG2 LYS A 44 12.737 -0.039 -19.406 1.00 2.23 H new ATOM 0 HG3 LYS A 44 11.592 1.285 -19.319 1.00 2.23 H new ATOM 0 HD2 LYS A 44 13.573 1.066 -17.060 1.00 2.47 H new ATOM 0 HD3 LYS A 44 14.208 1.568 -18.614 1.00 2.47 H new ATOM 0 HE2 LYS A 44 13.494 3.554 -17.316 1.00 2.77 H new ATOM 0 HE3 LYS A 44 12.491 3.385 -18.743 1.00 2.77 H new ATOM 0 HZ1 LYS A 44 11.237 3.802 -16.647 1.00 3.19 H new ATOM 0 HZ2 LYS A 44 10.757 2.387 -17.454 1.00 3.19 H new ATOM 0 HZ3 LYS A 44 11.743 2.285 -16.075 1.00 3.19 H new ATOM 712 N LEU A 45 9.112 -2.231 -19.553 1.00 2.17 N ATOM 713 CA LEU A 45 9.115 -3.249 -20.597 1.00 2.34 C ATOM 714 C LEU A 45 7.933 -3.059 -21.552 1.00 2.39 C ATOM 715 O LEU A 45 7.537 -3.987 -22.257 1.00 2.52 O ATOM 716 CB LEU A 45 9.027 -4.641 -19.970 1.00 2.37 C ATOM 717 CG LEU A 45 10.435 -5.208 -19.774 1.00 2.46 C ATOM 718 CD1 LEU A 45 10.453 -6.116 -18.544 1.00 2.44 C ATOM 719 CD2 LEU A 45 10.834 -6.018 -21.010 1.00 2.68 C ATOM 0 H LEU A 45 8.253 -2.183 -19.005 1.00 2.17 H new ATOM 0 HA LEU A 45 10.044 -3.151 -21.158 1.00 2.34 H new ATOM 0 HB2 LEU A 45 8.510 -4.587 -19.012 1.00 2.37 H new ATOM 0 HB3 LEU A 45 8.444 -5.303 -20.610 1.00 2.37 H new ATOM 0 HG LEU A 45 11.140 -4.389 -19.631 1.00 2.46 H new ATOM 0 HD11 LEU A 45 11.456 -6.520 -18.404 1.00 2.44 H new ATOM 0 HD12 LEU A 45 10.168 -5.541 -17.663 1.00 2.44 H new ATOM 0 HD13 LEU A 45 9.748 -6.935 -18.686 1.00 2.44 H new ATOM 0 HD21 LEU A 45 11.837 -6.422 -20.872 1.00 2.68 H new ATOM 0 HD22 LEU A 45 10.129 -6.837 -21.152 1.00 2.68 H new ATOM 0 HD23 LEU A 45 10.821 -5.372 -21.888 1.00 2.68 H new ATOM 731 N ALA A 46 7.372 -1.848 -21.571 1.00 2.31 N ATOM 732 CA ALA A 46 6.239 -1.557 -22.447 1.00 2.37 C ATOM 733 C ALA A 46 5.056 -2.465 -22.120 1.00 2.36 C ATOM 734 O ALA A 46 4.272 -2.824 -22.998 1.00 2.48 O ATOM 735 CB ALA A 46 6.628 -1.755 -23.913 1.00 2.57 C ATOM 0 H ALA A 46 7.680 -1.063 -20.997 1.00 2.31 H new ATOM 0 HA ALA A 46 5.952 -0.518 -22.284 1.00 2.37 H new ATOM 0 HB1 ALA A 46 5.772 -1.534 -24.550 1.00 2.57 H new ATOM 0 HB2 ALA A 46 7.450 -1.085 -24.165 1.00 2.57 H new ATOM 0 HB3 ALA A 46 6.940 -2.787 -24.070 1.00 2.57 H new ATOM 741 N LYS A 47 4.936 -2.833 -20.847 1.00 2.22 N ATOM 742 CA LYS A 47 3.840 -3.701 -20.422 1.00 2.20 C ATOM 743 C LYS A 47 3.149 -3.126 -19.190 1.00 2.02 C ATOM 744 O LYS A 47 3.768 -2.444 -18.373 1.00 1.89 O ATOM 745 CB LYS A 47 4.360 -5.103 -20.095 1.00 2.26 C ATOM 746 CG LYS A 47 3.177 -6.044 -19.852 1.00 2.67 C ATOM 747 CD LYS A 47 3.511 -7.439 -20.385 1.00 2.87 C ATOM 748 CE LYS A 47 2.217 -8.186 -20.711 1.00 3.20 C ATOM 749 NZ LYS A 47 2.497 -9.254 -21.710 1.00 3.49 N ATOM 0 H LYS A 47 5.572 -2.550 -20.102 1.00 2.22 H new ATOM 0 HA LYS A 47 3.125 -3.763 -21.242 1.00 2.20 H new ATOM 0 HB2 LYS A 47 4.972 -5.476 -20.916 1.00 2.26 H new ATOM 0 HB3 LYS A 47 4.998 -5.069 -19.212 1.00 2.26 H new ATOM 0 HG2 LYS A 47 2.953 -6.095 -18.786 1.00 2.67 H new ATOM 0 HG3 LYS A 47 2.286 -5.659 -20.347 1.00 2.67 H new ATOM 0 HD2 LYS A 47 4.132 -7.360 -21.277 1.00 2.87 H new ATOM 0 HD3 LYS A 47 4.087 -7.994 -19.645 1.00 2.87 H new ATOM 0 HE2 LYS A 47 1.798 -8.623 -19.804 1.00 3.20 H new ATOM 0 HE3 LYS A 47 1.473 -7.492 -21.103 1.00 3.20 H new ATOM 0 HZ1 LYS A 47 1.617 -9.762 -21.931 1.00 3.49 H new ATOM 0 HZ2 LYS A 47 2.878 -8.826 -22.578 1.00 3.49 H new ATOM 0 HZ3 LYS A 47 3.193 -9.921 -21.319 1.00 3.49 H new ATOM 763 N ASP A 48 1.858 -3.414 -19.067 1.00 2.03 N ATOM 764 CA ASP A 48 1.080 -2.926 -17.931 1.00 1.88 C ATOM 765 C ASP A 48 0.577 -4.097 -17.094 1.00 1.86 C ATOM 766 O ASP A 48 0.372 -5.200 -17.602 1.00 2.00 O ATOM 767 CB ASP A 48 -0.118 -2.107 -18.413 1.00 1.92 C ATOM 768 CG ASP A 48 0.367 -0.972 -19.309 1.00 1.98 C ATOM 769 OD1 ASP A 48 1.423 -0.430 -19.024 1.00 2.27 O ATOM 770 OD2 ASP A 48 -0.322 -0.664 -20.266 1.00 2.28 O ATOM 0 H ASP A 48 1.330 -3.978 -19.733 1.00 2.03 H new ATOM 0 HA ASP A 48 1.728 -2.294 -17.324 1.00 1.88 H new ATOM 0 HB2 ASP A 48 -0.811 -2.745 -18.960 1.00 1.92 H new ATOM 0 HB3 ASP A 48 -0.663 -1.703 -17.560 1.00 1.92 H new ATOM 775 N ILE A 49 0.379 -3.845 -15.804 1.00 1.70 N ATOM 776 CA ILE A 49 -0.103 -4.885 -14.901 1.00 1.69 C ATOM 777 C ILE A 49 -1.209 -4.336 -14.007 1.00 1.56 C ATOM 778 O ILE A 49 -1.334 -3.126 -13.825 1.00 1.46 O ATOM 779 CB ILE A 49 1.037 -5.407 -14.023 1.00 1.66 C ATOM 780 CG1 ILE A 49 2.213 -5.825 -14.910 1.00 1.80 C ATOM 781 CG2 ILE A 49 0.555 -6.617 -13.217 1.00 1.71 C ATOM 782 CD1 ILE A 49 3.402 -6.214 -14.031 1.00 2.11 C ATOM 0 H ILE A 49 0.543 -2.940 -15.364 1.00 1.70 H new ATOM 0 HA ILE A 49 -0.494 -5.703 -15.506 1.00 1.69 H new ATOM 0 HB ILE A 49 1.355 -4.620 -13.340 1.00 1.66 H new ATOM 0 HG12 ILE A 49 1.925 -6.665 -15.542 1.00 1.80 H new ATOM 0 HG13 ILE A 49 2.490 -5.006 -15.574 1.00 1.80 H new ATOM 0 HG21 ILE A 49 1.369 -6.986 -12.593 1.00 1.71 H new ATOM 0 HG22 ILE A 49 -0.282 -6.323 -12.584 1.00 1.71 H new ATOM 0 HG23 ILE A 49 0.235 -7.405 -13.899 1.00 1.71 H new ATOM 0 HD11 ILE A 49 4.239 -6.512 -14.662 1.00 2.11 H new ATOM 0 HD12 ILE A 49 3.695 -5.362 -13.417 1.00 2.11 H new ATOM 0 HD13 ILE A 49 3.121 -7.046 -13.386 1.00 2.11 H new ATOM 794 N CYS A 50 -2.008 -5.241 -13.454 1.00 1.60 N ATOM 795 CA CYS A 50 -3.104 -4.839 -12.579 1.00 1.51 C ATOM 796 C CYS A 50 -2.709 -5.010 -11.116 1.00 1.38 C ATOM 797 O CYS A 50 -1.982 -5.937 -10.759 1.00 1.44 O ATOM 798 CB CYS A 50 -4.350 -5.680 -12.861 1.00 1.63 C ATOM 799 SG CYS A 50 -4.939 -5.333 -14.536 1.00 1.82 S ATOM 0 H CYS A 50 -1.920 -6.248 -13.593 1.00 1.60 H new ATOM 0 HA CYS A 50 -3.323 -3.789 -12.775 1.00 1.51 H new ATOM 0 HB2 CYS A 50 -4.119 -6.740 -12.757 1.00 1.63 H new ATOM 0 HB3 CYS A 50 -5.129 -5.451 -12.134 1.00 1.63 H new ATOM 804 N ALA A 51 -3.190 -4.102 -10.275 1.00 1.23 N ATOM 805 CA ALA A 51 -2.876 -4.155 -8.850 1.00 1.13 C ATOM 806 C ALA A 51 -3.983 -3.497 -8.030 1.00 1.06 C ATOM 807 O ALA A 51 -4.614 -2.538 -8.471 1.00 1.05 O ATOM 808 CB ALA A 51 -1.557 -3.436 -8.574 1.00 1.03 C ATOM 0 H ALA A 51 -3.793 -3.327 -10.550 1.00 1.23 H new ATOM 0 HA ALA A 51 -2.790 -5.203 -8.562 1.00 1.13 H new ATOM 0 HB1 ALA A 51 -1.334 -3.482 -7.508 1.00 1.03 H new ATOM 0 HB2 ALA A 51 -0.756 -3.918 -9.134 1.00 1.03 H new ATOM 0 HB3 ALA A 51 -1.639 -2.394 -8.883 1.00 1.03 H new ATOM 814 N ASP A 52 -4.206 -4.024 -6.829 1.00 1.07 N ATOM 815 CA ASP A 52 -5.233 -3.483 -5.948 1.00 1.06 C ATOM 816 C ASP A 52 -4.615 -2.487 -4.962 1.00 0.96 C ATOM 817 O ASP A 52 -3.425 -2.567 -4.664 1.00 0.93 O ATOM 818 CB ASP A 52 -5.902 -4.611 -5.163 1.00 1.20 C ATOM 819 CG ASP A 52 -4.842 -5.429 -4.432 1.00 1.59 C ATOM 820 OD1 ASP A 52 -4.223 -4.887 -3.532 1.00 2.15 O ATOM 821 OD2 ASP A 52 -4.665 -6.583 -4.785 1.00 2.22 O ATOM 0 H ASP A 52 -3.693 -4.819 -6.447 1.00 1.07 H new ATOM 0 HA ASP A 52 -5.977 -2.974 -6.561 1.00 1.06 H new ATOM 0 HB2 ASP A 52 -6.613 -4.197 -4.448 1.00 1.20 H new ATOM 0 HB3 ASP A 52 -6.467 -5.252 -5.839 1.00 1.20 H new ATOM 826 N PRO A 53 -5.409 -1.535 -4.442 1.00 0.98 N ATOM 827 CA PRO A 53 -4.896 -0.533 -3.489 1.00 1.00 C ATOM 828 C PRO A 53 -4.809 -1.047 -2.046 1.00 1.09 C ATOM 829 O PRO A 53 -4.513 -0.282 -1.128 1.00 1.21 O ATOM 830 CB PRO A 53 -5.933 0.578 -3.600 1.00 1.10 C ATOM 831 CG PRO A 53 -7.223 -0.059 -4.106 1.00 1.13 C ATOM 832 CD PRO A 53 -6.849 -1.393 -4.761 1.00 1.07 C ATOM 0 HA PRO A 53 -3.874 -0.233 -3.722 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -6.092 1.054 -2.632 1.00 1.10 H new ATOM 0 HB3 PRO A 53 -5.593 1.355 -4.285 1.00 1.10 H new ATOM 0 HG2 PRO A 53 -7.921 -0.217 -3.284 1.00 1.13 H new ATOM 0 HG3 PRO A 53 -7.719 0.595 -4.823 1.00 1.13 H new ATOM 0 HD2 PRO A 53 -7.434 -2.218 -4.356 1.00 1.07 H new ATOM 0 HD3 PRO A 53 -7.023 -1.376 -5.837 1.00 1.07 H new ATOM 840 N LYS A 54 -5.066 -2.340 -1.851 1.00 1.09 N ATOM 841 CA LYS A 54 -5.006 -2.917 -0.510 1.00 1.23 C ATOM 842 C LYS A 54 -3.810 -3.863 -0.365 1.00 1.25 C ATOM 843 O LYS A 54 -3.785 -4.707 0.529 1.00 1.42 O ATOM 844 CB LYS A 54 -6.289 -3.691 -0.204 1.00 1.34 C ATOM 845 CG LYS A 54 -6.518 -4.752 -1.285 1.00 1.87 C ATOM 846 CD LYS A 54 -7.126 -6.008 -0.652 1.00 2.30 C ATOM 847 CE LYS A 54 -8.650 -5.964 -0.788 1.00 2.83 C ATOM 848 NZ LYS A 54 -9.166 -7.342 -1.025 1.00 3.39 N ATOM 0 H LYS A 54 -5.314 -2.997 -2.591 1.00 1.09 H new ATOM 0 HA LYS A 54 -4.894 -2.093 0.195 1.00 1.23 H new ATOM 0 HB2 LYS A 54 -6.216 -4.164 0.775 1.00 1.34 H new ATOM 0 HB3 LYS A 54 -7.137 -3.008 -0.165 1.00 1.34 H new ATOM 0 HG2 LYS A 54 -7.183 -4.363 -2.056 1.00 1.87 H new ATOM 0 HG3 LYS A 54 -5.575 -4.998 -1.773 1.00 1.87 H new ATOM 0 HD2 LYS A 54 -6.733 -6.900 -1.139 1.00 2.30 H new ATOM 0 HD3 LYS A 54 -6.846 -6.070 0.400 1.00 2.30 H new ATOM 0 HE2 LYS A 54 -9.095 -5.548 0.116 1.00 2.83 H new ATOM 0 HE3 LYS A 54 -8.934 -5.311 -1.613 1.00 2.83 H new ATOM 0 HZ1 LYS A 54 -10.201 -7.314 -1.118 1.00 3.39 H new ATOM 0 HZ2 LYS A 54 -8.750 -7.723 -1.899 1.00 3.39 H new ATOM 0 HZ3 LYS A 54 -8.907 -7.952 -0.224 1.00 3.39 H new ATOM 862 N LYS A 55 -2.819 -3.719 -1.247 1.00 1.14 N ATOM 863 CA LYS A 55 -1.640 -4.577 -1.185 1.00 1.19 C ATOM 864 C LYS A 55 -0.482 -3.843 -0.510 1.00 1.18 C ATOM 865 O LYS A 55 -0.550 -2.639 -0.265 1.00 1.12 O ATOM 866 CB LYS A 55 -1.219 -5.009 -2.598 1.00 1.15 C ATOM 867 CG LYS A 55 -0.988 -6.524 -2.635 1.00 1.31 C ATOM 868 CD LYS A 55 -2.302 -7.254 -2.345 1.00 1.80 C ATOM 869 CE LYS A 55 -2.335 -8.572 -3.119 1.00 2.02 C ATOM 870 NZ LYS A 55 -1.499 -9.584 -2.413 1.00 2.31 N ATOM 0 H LYS A 55 -2.810 -3.029 -1.998 1.00 1.14 H new ATOM 0 HA LYS A 55 -1.892 -5.462 -0.600 1.00 1.19 H new ATOM 0 HB2 LYS A 55 -1.990 -4.733 -3.317 1.00 1.15 H new ATOM 0 HB3 LYS A 55 -0.308 -4.487 -2.891 1.00 1.15 H new ATOM 0 HG2 LYS A 55 -0.605 -6.819 -3.612 1.00 1.31 H new ATOM 0 HG3 LYS A 55 -0.235 -6.805 -1.899 1.00 1.31 H new ATOM 0 HD2 LYS A 55 -2.396 -7.445 -1.276 1.00 1.80 H new ATOM 0 HD3 LYS A 55 -3.148 -6.630 -2.632 1.00 1.80 H new ATOM 0 HE2 LYS A 55 -3.361 -8.929 -3.206 1.00 2.02 H new ATOM 0 HE3 LYS A 55 -1.963 -8.420 -4.132 1.00 2.02 H new ATOM 0 HZ1 LYS A 55 -1.521 -10.481 -2.939 1.00 2.31 H new ATOM 0 HZ2 LYS A 55 -0.519 -9.243 -2.352 1.00 2.31 H new ATOM 0 HZ3 LYS A 55 -1.873 -9.736 -1.455 1.00 2.31 H new ATOM 884 N LYS A 56 0.579 -4.587 -0.209 1.00 1.29 N ATOM 885 CA LYS A 56 1.746 -4.006 0.441 1.00 1.34 C ATOM 886 C LYS A 56 2.685 -3.390 -0.587 1.00 1.24 C ATOM 887 O LYS A 56 3.145 -2.258 -0.429 1.00 1.23 O ATOM 888 CB LYS A 56 2.505 -5.071 1.235 1.00 1.51 C ATOM 889 CG LYS A 56 1.661 -5.512 2.433 1.00 2.15 C ATOM 890 CD LYS A 56 1.812 -4.496 3.566 1.00 2.42 C ATOM 891 CE LYS A 56 1.039 -4.983 4.794 1.00 3.16 C ATOM 892 NZ LYS A 56 1.796 -6.085 5.453 1.00 3.69 N ATOM 0 H LYS A 56 0.653 -5.585 -0.404 1.00 1.29 H new ATOM 0 HA LYS A 56 1.395 -3.229 1.120 1.00 1.34 H new ATOM 0 HB2 LYS A 56 2.726 -5.927 0.597 1.00 1.51 H new ATOM 0 HB3 LYS A 56 3.461 -4.673 1.576 1.00 1.51 H new ATOM 0 HG2 LYS A 56 0.614 -5.595 2.142 1.00 2.15 H new ATOM 0 HG3 LYS A 56 1.978 -6.499 2.771 1.00 2.15 H new ATOM 0 HD2 LYS A 56 2.865 -4.366 3.814 1.00 2.42 H new ATOM 0 HD3 LYS A 56 1.437 -3.523 3.249 1.00 2.42 H new ATOM 0 HE2 LYS A 56 0.891 -4.160 5.493 1.00 3.16 H new ATOM 0 HE3 LYS A 56 0.050 -5.333 4.499 1.00 3.16 H new ATOM 0 HZ1 LYS A 56 1.406 -6.255 6.402 1.00 3.69 H new ATOM 0 HZ2 LYS A 56 1.713 -6.952 4.884 1.00 3.69 H new ATOM 0 HZ3 LYS A 56 2.798 -5.818 5.534 1.00 3.69 H new ATOM 906 N TRP A 57 2.966 -4.143 -1.644 1.00 1.22 N ATOM 907 CA TRP A 57 3.853 -3.654 -2.691 1.00 1.16 C ATOM 908 C TRP A 57 3.138 -2.611 -3.547 1.00 1.02 C ATOM 909 O TRP A 57 3.770 -1.716 -4.110 1.00 0.98 O ATOM 910 CB TRP A 57 4.359 -4.802 -3.575 1.00 1.22 C ATOM 911 CG TRP A 57 3.215 -5.512 -4.227 1.00 1.22 C ATOM 912 CD1 TRP A 57 2.539 -6.555 -3.692 1.00 1.32 C ATOM 913 CD2 TRP A 57 2.614 -5.261 -5.530 1.00 1.16 C ATOM 914 NE1 TRP A 57 1.562 -6.958 -4.584 1.00 1.33 N ATOM 915 CE2 TRP A 57 1.566 -6.190 -5.730 1.00 1.24 C ATOM 916 CE3 TRP A 57 2.874 -4.324 -6.547 1.00 1.09 C ATOM 917 CZ2 TRP A 57 0.804 -6.190 -6.899 1.00 1.26 C ATOM 918 CZ3 TRP A 57 2.109 -4.322 -7.724 1.00 1.11 C ATOM 919 CH2 TRP A 57 1.075 -5.253 -7.900 1.00 1.20 C ATOM 0 H TRP A 57 2.598 -5.082 -1.798 1.00 1.22 H new ATOM 0 HA TRP A 57 4.715 -3.192 -2.209 1.00 1.16 H new ATOM 0 HB2 TRP A 57 5.032 -4.411 -4.337 1.00 1.22 H new ATOM 0 HB3 TRP A 57 4.934 -5.505 -2.972 1.00 1.22 H new ATOM 0 HD1 TRP A 57 2.731 -7.000 -2.727 1.00 1.32 H new ATOM 0 HE1 TRP A 57 0.917 -7.730 -4.415 1.00 1.33 H new ATOM 0 HE3 TRP A 57 3.667 -3.602 -6.421 1.00 1.09 H new ATOM 0 HZ2 TRP A 57 0.009 -6.910 -7.029 1.00 1.26 H new ATOM 0 HZ3 TRP A 57 2.318 -3.599 -8.499 1.00 1.11 H new ATOM 0 HH2 TRP A 57 0.489 -5.246 -8.807 1.00 1.20 H new ATOM 930 N VAL A 58 1.812 -2.718 -3.623 1.00 0.97 N ATOM 931 CA VAL A 58 1.031 -1.758 -4.394 1.00 0.87 C ATOM 932 C VAL A 58 0.956 -0.444 -3.628 1.00 0.89 C ATOM 933 O VAL A 58 1.063 0.638 -4.206 1.00 0.88 O ATOM 934 CB VAL A 58 -0.392 -2.276 -4.646 1.00 0.86 C ATOM 935 CG1 VAL A 58 -1.177 -1.252 -5.480 1.00 0.81 C ATOM 936 CG2 VAL A 58 -0.328 -3.604 -5.406 1.00 0.93 C ATOM 0 H VAL A 58 1.265 -3.448 -3.167 1.00 0.97 H new ATOM 0 HA VAL A 58 1.520 -1.610 -5.357 1.00 0.87 H new ATOM 0 HB VAL A 58 -0.893 -2.426 -3.689 1.00 0.86 H new ATOM 0 HG11 VAL A 58 -2.186 -1.624 -5.657 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -1.228 -0.306 -4.941 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.675 -1.099 -6.435 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.339 -3.970 -5.584 1.00 0.93 H new ATOM 0 HG22 VAL A 58 0.177 -3.453 -6.360 1.00 0.93 H new ATOM 0 HG23 VAL A 58 0.224 -4.335 -4.815 1.00 0.93 H new ATOM 946 N GLN A 59 0.775 -0.554 -2.315 1.00 0.99 N ATOM 947 CA GLN A 59 0.693 0.634 -1.472 1.00 1.08 C ATOM 948 C GLN A 59 2.013 1.384 -1.520 1.00 1.13 C ATOM 949 O GLN A 59 2.052 2.595 -1.733 1.00 1.21 O ATOM 950 CB GLN A 59 0.381 0.251 -0.023 1.00 1.22 C ATOM 951 CG GLN A 59 -1.123 0.016 0.130 1.00 1.67 C ATOM 952 CD GLN A 59 -1.808 1.329 0.498 1.00 2.01 C ATOM 953 OE1 GLN A 59 -1.329 2.406 0.145 1.00 2.67 O ATOM 954 NE2 GLN A 59 -2.912 1.301 1.194 1.00 2.31 N ATOM 0 H GLN A 59 0.683 -1.440 -1.818 1.00 0.99 H new ATOM 0 HA GLN A 59 -0.110 1.269 -1.847 1.00 1.08 H new ATOM 0 HB2 GLN A 59 0.930 -0.649 0.253 1.00 1.22 H new ATOM 0 HB3 GLN A 59 0.707 1.043 0.652 1.00 1.22 H new ATOM 0 HG2 GLN A 59 -1.537 -0.375 -0.799 1.00 1.67 H new ATOM 0 HG3 GLN A 59 -1.309 -0.732 0.901 1.00 1.67 H new ATOM 0 HE21 GLN A 59 -3.308 0.408 1.486 1.00 2.31 H new ATOM 0 HE22 GLN A 59 -3.378 2.172 1.446 1.00 2.31 H new ATOM 963 N ASP A 60 3.097 0.641 -1.343 1.00 1.13 N ATOM 964 CA ASP A 60 4.424 1.237 -1.394 1.00 1.20 C ATOM 965 C ASP A 60 4.697 1.736 -2.807 1.00 1.12 C ATOM 966 O ASP A 60 5.344 2.764 -3.009 1.00 1.20 O ATOM 967 CB ASP A 60 5.492 0.211 -1.000 1.00 1.26 C ATOM 968 CG ASP A 60 6.588 0.896 -0.190 1.00 1.41 C ATOM 969 OD1 ASP A 60 7.403 1.577 -0.790 1.00 1.87 O ATOM 970 OD2 ASP A 60 6.596 0.729 1.019 1.00 1.75 O ATOM 0 H ASP A 60 3.085 -0.363 -1.165 1.00 1.13 H new ATOM 0 HA ASP A 60 4.463 2.069 -0.691 1.00 1.20 H new ATOM 0 HB2 ASP A 60 5.042 -0.591 -0.415 1.00 1.26 H new ATOM 0 HB3 ASP A 60 5.918 -0.246 -1.893 1.00 1.26 H new ATOM 975 N SER A 61 4.182 0.993 -3.785 1.00 1.01 N ATOM 976 CA SER A 61 4.356 1.360 -5.184 1.00 0.96 C ATOM 977 C SER A 61 3.663 2.688 -5.464 1.00 0.98 C ATOM 978 O SER A 61 4.266 3.619 -5.996 1.00 1.05 O ATOM 979 CB SER A 61 3.769 0.284 -6.098 1.00 0.90 C ATOM 980 OG SER A 61 4.781 -0.662 -6.418 1.00 0.96 O ATOM 0 H SER A 61 3.645 0.139 -3.634 1.00 1.01 H new ATOM 0 HA SER A 61 5.424 1.454 -5.383 1.00 0.96 H new ATOM 0 HB2 SER A 61 2.933 -0.213 -5.605 1.00 0.90 H new ATOM 0 HB3 SER A 61 3.378 0.738 -7.009 1.00 0.90 H new ATOM 0 HG SER A 61 4.798 -1.366 -5.736 1.00 0.96 H new ATOM 986 N MET A 62 2.387 2.764 -5.095 1.00 0.97 N ATOM 987 CA MET A 62 1.618 3.988 -5.308 1.00 1.03 C ATOM 988 C MET A 62 2.239 5.146 -4.535 1.00 1.17 C ATOM 989 O MET A 62 2.390 6.249 -5.058 1.00 1.25 O ATOM 990 CB MET A 62 0.168 3.801 -4.853 1.00 1.03 C ATOM 991 CG MET A 62 -0.678 3.312 -6.028 1.00 1.58 C ATOM 992 SD MET A 62 -2.221 2.601 -5.405 1.00 1.92 S ATOM 993 CE MET A 62 -3.057 4.163 -5.036 1.00 1.85 C ATOM 0 H MET A 62 1.869 2.005 -4.653 1.00 0.97 H new ATOM 0 HA MET A 62 1.633 4.213 -6.374 1.00 1.03 H new ATOM 0 HB2 MET A 62 0.123 3.082 -4.035 1.00 1.03 H new ATOM 0 HB3 MET A 62 -0.229 4.742 -4.473 1.00 1.03 H new ATOM 0 HG2 MET A 62 -0.893 4.139 -6.704 1.00 1.58 H new ATOM 0 HG3 MET A 62 -0.127 2.567 -6.601 1.00 1.58 H new ATOM 0 HE1 MET A 62 -3.314 4.197 -3.977 1.00 1.85 H new ATOM 0 HE2 MET A 62 -2.395 4.995 -5.275 1.00 1.85 H new ATOM 0 HE3 MET A 62 -3.966 4.239 -5.633 1.00 1.85 H new ATOM 1003 N LYS A 63 2.606 4.880 -3.285 1.00 1.24 N ATOM 1004 CA LYS A 63 3.220 5.908 -2.453 1.00 1.40 C ATOM 1005 C LYS A 63 4.567 6.304 -3.043 1.00 1.44 C ATOM 1006 O LYS A 63 4.954 7.473 -3.028 1.00 1.58 O ATOM 1007 CB LYS A 63 3.425 5.397 -1.027 1.00 1.47 C ATOM 1008 CG LYS A 63 3.361 6.573 -0.049 1.00 1.72 C ATOM 1009 CD LYS A 63 2.836 6.085 1.303 1.00 1.92 C ATOM 1010 CE LYS A 63 3.991 5.495 2.116 1.00 2.24 C ATOM 1011 NZ LYS A 63 3.685 5.612 3.570 1.00 2.73 N ATOM 0 H LYS A 63 2.491 3.974 -2.831 1.00 1.24 H new ATOM 0 HA LYS A 63 2.557 6.773 -2.425 1.00 1.40 H new ATOM 0 HB2 LYS A 63 2.659 4.662 -0.779 1.00 1.47 H new ATOM 0 HB3 LYS A 63 4.388 4.894 -0.945 1.00 1.47 H new ATOM 0 HG2 LYS A 63 4.350 7.014 0.071 1.00 1.72 H new ATOM 0 HG3 LYS A 63 2.710 7.353 -0.444 1.00 1.72 H new ATOM 0 HD2 LYS A 63 2.379 6.911 1.847 1.00 1.92 H new ATOM 0 HD3 LYS A 63 2.061 5.333 1.154 1.00 1.92 H new ATOM 0 HE2 LYS A 63 4.142 4.449 1.848 1.00 2.24 H new ATOM 0 HE3 LYS A 63 4.918 6.020 1.885 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 4.469 5.211 4.123 1.00 2.73 H new ATOM 0 HZ2 LYS A 63 3.562 6.614 3.819 1.00 2.73 H new ATOM 0 HZ3 LYS A 63 2.810 5.092 3.784 1.00 2.73 H new ATOM 1025 N TYR A 64 5.268 5.309 -3.574 1.00 1.34 N ATOM 1026 CA TYR A 64 6.570 5.540 -4.186 1.00 1.39 C ATOM 1027 C TYR A 64 6.408 6.446 -5.406 1.00 1.43 C ATOM 1028 O TYR A 64 7.066 7.479 -5.524 1.00 1.56 O ATOM 1029 CB TYR A 64 7.195 4.191 -4.596 1.00 1.30 C ATOM 1030 CG TYR A 64 8.456 4.398 -5.412 1.00 1.35 C ATOM 1031 CD1 TYR A 64 9.595 4.961 -4.825 1.00 1.43 C ATOM 1032 CD2 TYR A 64 8.476 4.024 -6.761 1.00 1.54 C ATOM 1033 CE1 TYR A 64 10.754 5.150 -5.587 1.00 1.50 C ATOM 1034 CE2 TYR A 64 9.633 4.212 -7.523 1.00 1.59 C ATOM 1035 CZ TYR A 64 10.773 4.774 -6.937 1.00 1.48 C ATOM 1036 OH TYR A 64 11.916 4.960 -7.689 1.00 1.57 O ATOM 0 H TYR A 64 4.957 4.338 -3.593 1.00 1.34 H new ATOM 0 HA TYR A 64 7.230 6.029 -3.470 1.00 1.39 H new ATOM 0 HB2 TYR A 64 7.427 3.608 -3.704 1.00 1.30 H new ATOM 0 HB3 TYR A 64 6.474 3.614 -5.175 1.00 1.30 H new ATOM 0 HD1 TYR A 64 9.580 5.250 -3.784 1.00 1.43 H new ATOM 0 HD2 TYR A 64 7.597 3.590 -7.213 1.00 1.54 H new ATOM 0 HE1 TYR A 64 11.633 5.585 -5.135 1.00 1.50 H new ATOM 0 HE2 TYR A 64 9.647 3.924 -8.564 1.00 1.59 H new ATOM 0 HH TYR A 64 11.760 4.645 -8.604 1.00 1.57 H new ATOM 1046 N LEU A 65 5.525 6.041 -6.307 1.00 1.34 N ATOM 1047 CA LEU A 65 5.278 6.816 -7.514 1.00 1.41 C ATOM 1048 C LEU A 65 4.674 8.164 -7.153 1.00 1.53 C ATOM 1049 O LEU A 65 5.032 9.198 -7.719 1.00 1.67 O ATOM 1050 CB LEU A 65 4.328 6.062 -8.443 1.00 1.32 C ATOM 1051 CG LEU A 65 5.079 4.892 -9.075 1.00 1.27 C ATOM 1052 CD1 LEU A 65 4.102 4.007 -9.847 1.00 1.21 C ATOM 1053 CD2 LEU A 65 6.141 5.437 -10.029 1.00 1.41 C ATOM 0 H LEU A 65 4.972 5.188 -6.227 1.00 1.34 H new ATOM 0 HA LEU A 65 6.227 6.972 -8.027 1.00 1.41 H new ATOM 0 HB2 LEU A 65 3.465 5.699 -7.885 1.00 1.32 H new ATOM 0 HB3 LEU A 65 3.949 6.729 -9.217 1.00 1.32 H new ATOM 0 HG LEU A 65 5.555 4.299 -8.294 1.00 1.27 H new ATOM 0 HD11 LEU A 65 4.643 3.174 -10.296 1.00 1.21 H new ATOM 0 HD12 LEU A 65 3.343 3.622 -9.166 1.00 1.21 H new ATOM 0 HD13 LEU A 65 3.622 4.593 -10.631 1.00 1.21 H new ATOM 0 HD21 LEU A 65 6.682 4.607 -10.484 1.00 1.41 H new ATOM 0 HD22 LEU A 65 5.661 6.028 -10.809 1.00 1.41 H new ATOM 0 HD23 LEU A 65 6.839 6.065 -9.476 1.00 1.41 H new ATOM 1065 N ASP A 66 3.760 8.137 -6.194 1.00 1.50 N ATOM 1066 CA ASP A 66 3.110 9.361 -5.742 1.00 1.63 C ATOM 1067 C ASP A 66 4.139 10.298 -5.118 1.00 1.79 C ATOM 1068 O ASP A 66 4.073 11.515 -5.281 1.00 1.95 O ATOM 1069 CB ASP A 66 2.029 9.047 -4.706 1.00 1.59 C ATOM 1070 CG ASP A 66 0.754 8.608 -5.417 1.00 1.51 C ATOM 1071 OD1 ASP A 66 0.291 9.346 -6.272 1.00 1.88 O ATOM 1072 OD2 ASP A 66 0.258 7.539 -5.097 1.00 1.79 O ATOM 0 H ASP A 66 3.453 7.290 -5.717 1.00 1.50 H new ATOM 0 HA ASP A 66 2.649 9.840 -6.606 1.00 1.63 H new ATOM 0 HB2 ASP A 66 2.372 8.260 -4.034 1.00 1.59 H new ATOM 0 HB3 ASP A 66 1.832 9.926 -4.093 1.00 1.59 H new ATOM 1077 N GLN A 67 5.096 9.709 -4.404 1.00 1.77 N ATOM 1078 CA GLN A 67 6.143 10.491 -3.759 1.00 1.93 C ATOM 1079 C GLN A 67 7.358 10.669 -4.676 1.00 1.94 C ATOM 1080 O GLN A 67 8.428 11.075 -4.224 1.00 1.94 O ATOM 1081 CB GLN A 67 6.595 9.809 -2.466 1.00 1.99 C ATOM 1082 CG GLN A 67 5.518 9.980 -1.395 1.00 2.39 C ATOM 1083 CD GLN A 67 6.175 10.079 -0.022 1.00 2.65 C ATOM 1084 OE1 GLN A 67 6.470 11.175 0.455 1.00 3.11 O ATOM 1085 NE2 GLN A 67 6.427 8.988 0.648 1.00 3.00 N ATOM 0 H GLN A 67 5.167 8.702 -4.259 1.00 1.77 H new ATOM 0 HA GLN A 67 5.724 11.472 -3.537 1.00 1.93 H new ATOM 0 HB2 GLN A 67 6.779 8.750 -2.646 1.00 1.99 H new ATOM 0 HB3 GLN A 67 7.535 10.242 -2.124 1.00 1.99 H new ATOM 0 HG2 GLN A 67 4.931 10.877 -1.594 1.00 2.39 H new ATOM 0 HG3 GLN A 67 4.829 9.136 -1.420 1.00 2.39 H new ATOM 0 HE21 GLN A 67 6.183 8.080 0.254 1.00 3.00 H new ATOM 0 HE22 GLN A 67 6.868 9.044 1.566 1.00 3.00 H new ATOM 1094 N LYS A 68 7.193 10.362 -5.966 1.00 2.05 N ATOM 1095 CA LYS A 68 8.295 10.498 -6.916 1.00 2.09 C ATOM 1096 C LYS A 68 8.792 11.941 -6.969 1.00 2.06 C ATOM 1097 O LYS A 68 9.967 12.196 -7.232 1.00 2.22 O ATOM 1098 CB LYS A 68 7.846 10.076 -8.317 1.00 2.32 C ATOM 1099 CG LYS A 68 9.076 9.806 -9.187 1.00 2.71 C ATOM 1100 CD LYS A 68 8.635 9.576 -10.635 1.00 3.04 C ATOM 1101 CE LYS A 68 9.568 8.560 -11.297 1.00 3.75 C ATOM 1102 NZ LYS A 68 9.625 8.819 -12.763 1.00 4.18 N ATOM 0 H LYS A 68 6.320 10.023 -6.370 1.00 2.05 H new ATOM 0 HA LYS A 68 9.105 9.851 -6.579 1.00 2.09 H new ATOM 0 HB2 LYS A 68 7.226 9.182 -8.258 1.00 2.32 H new ATOM 0 HB3 LYS A 68 7.235 10.859 -8.766 1.00 2.32 H new ATOM 0 HG2 LYS A 68 9.764 10.650 -9.135 1.00 2.71 H new ATOM 0 HG3 LYS A 68 9.613 8.933 -8.816 1.00 2.71 H new ATOM 0 HD2 LYS A 68 7.608 9.213 -10.660 1.00 3.04 H new ATOM 0 HD3 LYS A 68 8.654 10.516 -11.186 1.00 3.04 H new ATOM 0 HE2 LYS A 68 10.566 8.632 -10.865 1.00 3.75 H new ATOM 0 HE3 LYS A 68 9.212 7.547 -11.109 1.00 3.75 H new ATOM 0 HZ1 LYS A 68 10.259 8.128 -13.213 1.00 4.18 H new ATOM 0 HZ2 LYS A 68 8.672 8.729 -13.169 1.00 4.18 H new ATOM 0 HZ3 LYS A 68 9.984 9.780 -12.932 1.00 4.18 H new ATOM 1116 N SER A 69 7.884 12.881 -6.721 1.00 2.09 N ATOM 1117 CA SER A 69 8.240 14.298 -6.744 1.00 2.28 C ATOM 1118 C SER A 69 8.735 14.750 -5.361 1.00 2.32 C ATOM 1119 O SER A 69 7.953 14.789 -4.411 1.00 2.61 O ATOM 1120 CB SER A 69 7.025 15.143 -7.130 1.00 2.57 C ATOM 1121 OG SER A 69 7.466 16.353 -7.729 1.00 2.77 O ATOM 0 H SER A 69 6.906 12.691 -6.504 1.00 2.09 H new ATOM 0 HA SER A 69 9.033 14.434 -7.479 1.00 2.28 H new ATOM 0 HB2 SER A 69 6.389 14.591 -7.823 1.00 2.57 H new ATOM 0 HB3 SER A 69 6.423 15.359 -6.248 1.00 2.57 H new ATOM 0 HG SER A 69 6.690 16.896 -7.979 1.00 2.77 H new ATOM 1127 N PRO A 70 10.029 15.101 -5.216 1.00 2.69 N ATOM 1128 CA PRO A 70 10.568 15.544 -3.919 1.00 3.05 C ATOM 1129 C PRO A 70 10.303 17.025 -3.652 1.00 3.18 C ATOM 1130 O PRO A 70 10.188 17.454 -2.504 1.00 3.67 O ATOM 1131 CB PRO A 70 12.061 15.284 -4.079 1.00 3.88 C ATOM 1132 CG PRO A 70 12.358 15.291 -5.575 1.00 4.16 C ATOM 1133 CD PRO A 70 11.030 15.079 -6.310 1.00 3.37 C ATOM 0 HA PRO A 70 10.110 15.026 -3.076 1.00 3.05 H new ATOM 0 HB2 PRO A 70 12.643 16.050 -3.567 1.00 3.88 H new ATOM 0 HB3 PRO A 70 12.335 14.327 -3.636 1.00 3.88 H new ATOM 0 HG2 PRO A 70 12.813 16.236 -5.871 1.00 4.16 H new ATOM 0 HG3 PRO A 70 13.067 14.503 -5.829 1.00 4.16 H new ATOM 0 HD2 PRO A 70 10.845 15.866 -7.041 1.00 3.37 H new ATOM 0 HD3 PRO A 70 11.015 14.132 -6.850 1.00 3.37 H new ATOM 1141 N THR A 71 10.210 17.797 -4.730 1.00 3.48 N ATOM 1142 CA THR A 71 9.958 19.230 -4.610 1.00 4.29 C ATOM 1143 C THR A 71 8.505 19.484 -4.190 1.00 5.01 C ATOM 1144 O THR A 71 7.613 18.718 -4.554 1.00 5.40 O ATOM 1145 CB THR A 71 10.224 19.933 -5.945 1.00 4.74 C ATOM 1146 OG1 THR A 71 9.857 21.302 -5.843 1.00 5.01 O ATOM 1147 CG2 THR A 71 9.404 19.261 -7.049 1.00 5.27 C ATOM 0 H THR A 71 10.304 17.459 -5.688 1.00 3.48 H new ATOM 0 HA THR A 71 10.630 19.629 -3.850 1.00 4.29 H new ATOM 0 HB THR A 71 11.284 19.861 -6.188 1.00 4.74 H new ATOM 0 HG1 THR A 71 10.029 21.751 -6.697 1.00 5.01 H new ATOM 0 HG21 THR A 71 9.593 19.761 -7.999 1.00 5.27 H new ATOM 0 HG22 THR A 71 9.690 18.212 -7.128 1.00 5.27 H new ATOM 0 HG23 THR A 71 8.343 19.330 -6.808 1.00 5.27 H new ATOM 1155 N PRO A 72 8.242 20.556 -3.421 1.00 5.63 N ATOM 1156 CA PRO A 72 6.874 20.873 -2.974 1.00 6.67 C ATOM 1157 C PRO A 72 6.065 21.612 -4.037 1.00 7.41 C ATOM 1158 O PRO A 72 6.588 21.985 -5.088 1.00 7.87 O ATOM 1159 CB PRO A 72 7.126 21.767 -1.766 1.00 7.26 C ATOM 1160 CG PRO A 72 8.510 22.381 -1.945 1.00 6.87 C ATOM 1161 CD PRO A 72 9.272 21.514 -2.952 1.00 5.76 C ATOM 0 HA PRO A 72 6.286 19.981 -2.758 1.00 6.67 H new ATOM 0 HB2 PRO A 72 6.365 22.545 -1.697 1.00 7.26 H new ATOM 0 HB3 PRO A 72 7.077 21.190 -0.843 1.00 7.26 H new ATOM 0 HG2 PRO A 72 8.431 23.407 -2.305 1.00 6.87 H new ATOM 0 HG3 PRO A 72 9.039 22.417 -0.993 1.00 6.87 H new ATOM 0 HD2 PRO A 72 9.673 22.108 -3.773 1.00 5.76 H new ATOM 0 HD3 PRO A 72 10.115 21.003 -2.487 1.00 5.76 H new ATOM 1169 N LYS A 73 4.782 21.816 -3.753 1.00 7.81 N ATOM 1170 CA LYS A 73 3.904 22.509 -4.692 1.00 8.76 C ATOM 1171 C LYS A 73 3.419 23.834 -4.095 1.00 9.13 C ATOM 1172 O LYS A 73 2.344 23.890 -3.497 1.00 9.30 O ATOM 1173 CB LYS A 73 2.692 21.640 -5.032 1.00 9.36 C ATOM 1174 CG LYS A 73 3.078 20.617 -6.102 1.00 9.82 C ATOM 1175 CD LYS A 73 1.882 19.710 -6.399 1.00 10.66 C ATOM 1176 CE LYS A 73 1.605 18.809 -5.191 1.00 11.15 C ATOM 1177 NZ LYS A 73 0.478 19.375 -4.396 1.00 11.77 N ATOM 0 H LYS A 73 4.330 21.515 -2.890 1.00 7.81 H new ATOM 0 HA LYS A 73 4.473 22.708 -5.600 1.00 8.76 H new ATOM 0 HB2 LYS A 73 2.336 21.129 -4.138 1.00 9.36 H new ATOM 0 HB3 LYS A 73 1.873 22.264 -5.390 1.00 9.36 H new ATOM 0 HG2 LYS A 73 3.394 21.128 -7.011 1.00 9.82 H new ATOM 0 HG3 LYS A 73 3.924 20.020 -5.761 1.00 9.82 H new ATOM 0 HD2 LYS A 73 1.003 20.313 -6.624 1.00 10.66 H new ATOM 0 HD3 LYS A 73 2.085 19.101 -7.280 1.00 10.66 H new ATOM 0 HE2 LYS A 73 1.358 17.801 -5.525 1.00 11.15 H new ATOM 0 HE3 LYS A 73 2.498 18.730 -4.571 1.00 11.15 H new ATOM 0 HZ1 LYS A 73 0.697 19.302 -3.382 1.00 11.77 H new ATOM 0 HZ2 LYS A 73 0.342 20.374 -4.650 1.00 11.77 H new ATOM 0 HZ3 LYS A 73 -0.392 18.844 -4.601 1.00 11.77 H new ATOM 1191 N PRO A 74 4.198 24.920 -4.245 1.00 9.55 N ATOM 1192 CA PRO A 74 3.812 26.236 -3.704 1.00 10.20 C ATOM 1193 C PRO A 74 2.844 26.985 -4.619 1.00 10.72 C ATOM 1194 O PRO A 74 2.792 28.200 -4.525 1.00 11.10 O ATOM 1195 CB PRO A 74 5.150 26.960 -3.627 1.00 10.64 C ATOM 1196 CG PRO A 74 6.079 26.295 -4.637 1.00 10.42 C ATOM 1197 CD PRO A 74 5.500 24.912 -4.954 1.00 9.69 C ATOM 1198 OXT PRO A 74 2.170 26.331 -5.398 1.00 10.91 O ATOM 0 HA PRO A 74 3.285 26.160 -2.753 1.00 10.20 H new ATOM 0 HB2 PRO A 74 5.028 28.019 -3.855 1.00 10.64 H new ATOM 0 HB3 PRO A 74 5.565 26.896 -2.621 1.00 10.64 H new ATOM 0 HG2 PRO A 74 6.154 26.896 -5.543 1.00 10.42 H new ATOM 0 HG3 PRO A 74 7.086 26.205 -4.230 1.00 10.42 H new ATOM 0 HD2 PRO A 74 5.374 24.764 -6.027 1.00 9.69 H new ATOM 0 HD3 PRO A 74 6.148 24.112 -4.596 1.00 9.69 H new TER 1206 PRO A 74