USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 539 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00127) USER MOD Set 2.1: A 26 SER OG : rot 55:sc= 0.445 USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= 0.471 F(o=-0.89,f=0.92) USER MOD Single : A 19 SER OG : rot 33:sc= 0.0668 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot -33:sc= 0.0144 USER MOD Single : A 34 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.1) USER MOD Single : A 36 ASN : amide:sc= -12.6! C(o=-13!,f=-16!) USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= -3.94! (180deg=-6.81!) USER MOD Single : A 40 LYS NZ :NH3+ 134:sc= -1.02 (180deg=-2.77!) USER MOD Single : A 47 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-8.8!) USER MOD Single : A 48 THR OG1 : rot -69:sc= 0.973 USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -5.5! (180deg=-7.1!) USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0464) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0229) USER MOD Single : A 84 MET CE :methyl 143:sc= -0.218 (180deg=-1.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -12.093 -11.114 3.611 1.00 0.00 N ATOM 2 CA GLU A 16 -10.662 -11.529 3.566 1.00 0.00 C ATOM 3 C GLU A 16 -9.836 -10.511 2.774 1.00 0.00 C ATOM 4 O GLU A 16 -8.637 -10.407 2.941 1.00 0.00 O ATOM 5 CB GLU A 16 -10.664 -12.885 2.858 1.00 0.00 C ATOM 6 CG GLU A 16 -9.374 -13.635 3.197 1.00 0.00 C ATOM 7 CD GLU A 16 -9.506 -15.098 2.769 1.00 0.00 C ATOM 8 OE1 GLU A 16 -9.337 -15.369 1.591 1.00 0.00 O ATOM 9 OE2 GLU A 16 -9.767 -15.924 3.628 1.00 0.00 O ATOM 0 HA GLU A 16 -10.220 -11.588 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.530 -13.469 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.744 -12.745 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.528 -13.172 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.176 -13.575 4.267 1.00 0.00 H new ATOM 16 N GLU A 17 -10.466 -9.760 1.913 1.00 0.00 N ATOM 17 CA GLU A 17 -9.714 -8.751 1.112 1.00 0.00 C ATOM 18 C GLU A 17 -10.339 -7.364 1.286 1.00 0.00 C ATOM 19 O GLU A 17 -11.542 -7.219 1.360 1.00 0.00 O ATOM 20 CB GLU A 17 -9.839 -9.220 -0.338 1.00 0.00 C ATOM 21 CG GLU A 17 -9.329 -10.659 -0.457 1.00 0.00 C ATOM 22 CD GLU A 17 -8.002 -10.671 -1.219 1.00 0.00 C ATOM 23 OE1 GLU A 17 -7.866 -9.888 -2.146 1.00 0.00 O ATOM 24 OE2 GLU A 17 -7.146 -11.463 -0.865 1.00 0.00 O ATOM 0 H GLU A 17 -11.468 -9.801 1.729 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.673 -8.670 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.879 -9.164 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.266 -8.565 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.195 -11.091 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.064 -11.274 -0.976 1.00 0.00 H new ATOM 31 N GLU A 18 -9.530 -6.342 1.350 1.00 0.00 N ATOM 32 CA GLU A 18 -10.079 -4.966 1.519 1.00 0.00 C ATOM 33 C GLU A 18 -9.866 -4.150 0.239 1.00 0.00 C ATOM 34 O GLU A 18 -8.749 -3.888 -0.162 1.00 0.00 O ATOM 35 CB GLU A 18 -9.289 -4.365 2.681 1.00 0.00 C ATOM 36 CG GLU A 18 -9.672 -5.075 3.981 1.00 0.00 C ATOM 37 CD GLU A 18 -9.326 -4.181 5.173 1.00 0.00 C ATOM 38 OE1 GLU A 18 -10.063 -3.240 5.415 1.00 0.00 O ATOM 39 OE2 GLU A 18 -8.331 -4.455 5.824 1.00 0.00 O ATOM 0 H GLU A 18 -8.513 -6.400 1.293 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.151 -4.969 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.219 -4.469 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.497 -3.298 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.738 -5.304 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.142 -6.024 4.059 1.00 0.00 H new ATOM 46 N SER A 19 -10.928 -3.744 -0.401 1.00 0.00 N ATOM 47 CA SER A 19 -10.787 -2.944 -1.653 1.00 0.00 C ATOM 48 C SER A 19 -11.931 -1.934 -1.766 1.00 0.00 C ATOM 49 O SER A 19 -12.576 -1.820 -2.790 1.00 0.00 O ATOM 50 CB SER A 19 -10.860 -3.965 -2.788 1.00 0.00 C ATOM 51 OG SER A 19 -9.543 -4.350 -3.160 1.00 0.00 O ATOM 0 H SER A 19 -11.888 -3.931 -0.112 1.00 0.00 H new ATOM 0 HA SER A 19 -9.857 -2.376 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.430 -4.838 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.382 -3.537 -3.644 1.00 0.00 H new ATOM 0 HG SER A 19 -8.961 -4.330 -2.372 1.00 0.00 H new ATOM 57 N PHE A 20 -12.190 -1.200 -0.719 1.00 0.00 N ATOM 58 CA PHE A 20 -13.292 -0.198 -0.762 1.00 0.00 C ATOM 59 C PHE A 20 -12.997 0.947 0.210 1.00 0.00 C ATOM 60 O PHE A 20 -13.242 0.845 1.395 1.00 0.00 O ATOM 61 CB PHE A 20 -14.537 -0.970 -0.321 1.00 0.00 C ATOM 62 CG PHE A 20 -15.774 -0.268 -0.827 1.00 0.00 C ATOM 63 CD1 PHE A 20 -15.933 -0.028 -2.198 1.00 0.00 C ATOM 64 CD2 PHE A 20 -16.765 0.140 0.074 1.00 0.00 C ATOM 65 CE1 PHE A 20 -17.081 0.622 -2.667 1.00 0.00 C ATOM 66 CE2 PHE A 20 -17.913 0.789 -0.395 1.00 0.00 C ATOM 67 CZ PHE A 20 -18.071 1.031 -1.764 1.00 0.00 C ATOM 0 H PHE A 20 -11.685 -1.251 0.166 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.415 0.247 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.501 -1.989 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.566 -1.042 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.170 -0.344 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -16.644 -0.046 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -17.203 0.808 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -18.677 1.103 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 20 -18.956 1.533 -2.125 1.00 0.00 H new ATOM 77 N GLY A 21 -12.467 2.036 -0.280 1.00 0.00 N ATOM 78 CA GLY A 21 -12.155 3.176 0.625 1.00 0.00 C ATOM 79 C GLY A 21 -10.663 3.540 0.551 1.00 0.00 C ATOM 80 O GLY A 21 -10.321 4.705 0.576 1.00 0.00 O ATOM 0 H GLY A 21 -12.238 2.184 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.759 4.041 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.420 2.916 1.650 1.00 0.00 H new ATOM 84 N PRO A 22 -9.812 2.540 0.482 1.00 0.00 N ATOM 85 CA PRO A 22 -8.352 2.803 0.428 1.00 0.00 C ATOM 86 C PRO A 22 -7.924 3.316 -0.949 1.00 0.00 C ATOM 87 O PRO A 22 -8.263 2.757 -1.972 1.00 0.00 O ATOM 88 CB PRO A 22 -7.729 1.445 0.728 1.00 0.00 C ATOM 89 CG PRO A 22 -8.761 0.438 0.333 1.00 0.00 C ATOM 90 CD PRO A 22 -10.111 1.101 0.443 1.00 0.00 C ATOM 0 HA PRO A 22 -8.041 3.576 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.806 1.303 0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.475 1.354 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -8.587 0.091 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.710 -0.437 0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -10.747 0.851 -0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -10.639 0.781 1.341 1.00 0.00 H new ATOM 98 N GLN A 23 -7.170 4.381 -0.968 1.00 0.00 N ATOM 99 CA GLN A 23 -6.691 4.955 -2.258 1.00 0.00 C ATOM 100 C GLN A 23 -5.751 6.124 -1.982 1.00 0.00 C ATOM 101 O GLN A 23 -4.590 6.076 -2.327 1.00 0.00 O ATOM 102 CB GLN A 23 -7.951 5.425 -2.990 1.00 0.00 C ATOM 103 CG GLN A 23 -8.218 4.510 -4.187 1.00 0.00 C ATOM 104 CD GLN A 23 -9.724 4.436 -4.448 1.00 0.00 C ATOM 105 OE1 GLN A 23 -10.367 5.447 -4.655 1.00 0.00 O ATOM 106 NE2 GLN A 23 -10.319 3.275 -4.448 1.00 0.00 N ATOM 0 H GLN A 23 -6.862 4.883 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.136 4.231 -2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.804 5.412 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.826 6.454 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.704 4.889 -5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.823 3.513 -3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.781 2.426 -4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.322 3.216 -4.622 1.00 0.00 H new ATOM 115 N PRO A 24 -6.265 7.133 -1.346 1.00 0.00 N ATOM 116 CA PRO A 24 -5.423 8.301 -1.016 1.00 0.00 C ATOM 117 C PRO A 24 -4.395 7.892 0.038 1.00 0.00 C ATOM 118 O PRO A 24 -4.352 8.431 1.126 1.00 0.00 O ATOM 119 CB PRO A 24 -6.420 9.322 -0.472 1.00 0.00 C ATOM 120 CG PRO A 24 -7.574 8.506 0.016 1.00 0.00 C ATOM 121 CD PRO A 24 -7.644 7.287 -0.870 1.00 0.00 C ATOM 0 HA PRO A 24 -4.859 8.701 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.983 9.911 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.731 10.023 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.433 8.220 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.501 9.076 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.979 6.408 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.341 7.430 -1.696 1.00 0.00 H new ATOM 129 N ILE A 25 -3.568 6.933 -0.285 1.00 0.00 N ATOM 130 CA ILE A 25 -2.540 6.473 0.688 1.00 0.00 C ATOM 131 C ILE A 25 -1.381 7.467 0.713 1.00 0.00 C ATOM 132 O ILE A 25 -0.523 7.420 1.572 1.00 0.00 O ATOM 133 CB ILE A 25 -2.072 5.097 0.185 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.986 5.266 -0.885 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.252 4.333 -0.419 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.545 3.890 -1.387 1.00 0.00 C ATOM 0 H ILE A 25 -3.562 6.449 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.932 6.404 1.703 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.667 4.539 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.367 5.862 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.133 5.804 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.912 3.360 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.022 4.195 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.663 4.900 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.227 4.010 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.147 3.309 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.400 3.368 -1.817 1.00 0.00 H new ATOM 148 N SER A 26 -1.352 8.353 -0.246 1.00 0.00 N ATOM 149 CA SER A 26 -0.252 9.361 -0.325 1.00 0.00 C ATOM 150 C SER A 26 0.224 9.781 1.070 1.00 0.00 C ATOM 151 O SER A 26 1.382 9.665 1.396 1.00 0.00 O ATOM 152 CB SER A 26 -0.864 10.551 -1.062 1.00 0.00 C ATOM 153 OG SER A 26 -0.368 11.760 -0.501 1.00 0.00 O ATOM 0 H SER A 26 -2.050 8.423 -0.986 1.00 0.00 H new ATOM 0 HA SER A 26 0.624 8.960 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.618 10.502 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.951 10.521 -0.985 1.00 0.00 H new ATOM 0 HG SER A 26 0.612 11.753 -0.523 1.00 0.00 H new ATOM 159 N ARG A 27 -0.648 10.279 1.896 1.00 0.00 N ATOM 160 CA ARG A 27 -0.210 10.712 3.256 1.00 0.00 C ATOM 161 C ARG A 27 -0.037 9.510 4.193 1.00 0.00 C ATOM 162 O ARG A 27 0.687 9.571 5.166 1.00 0.00 O ATOM 163 CB ARG A 27 -1.333 11.618 3.759 1.00 0.00 C ATOM 164 CG ARG A 27 -1.372 12.898 2.923 1.00 0.00 C ATOM 165 CD ARG A 27 -2.358 13.886 3.552 1.00 0.00 C ATOM 166 NE ARG A 27 -3.674 13.562 2.931 1.00 0.00 N ATOM 167 CZ ARG A 27 -4.674 14.394 3.042 1.00 0.00 C ATOM 168 NH1 ARG A 27 -4.530 15.514 3.700 1.00 0.00 N ATOM 169 NH2 ARG A 27 -5.825 14.107 2.494 1.00 0.00 N ATOM 0 H ARG A 27 -1.640 10.406 1.694 1.00 0.00 H new ATOM 0 HA ARG A 27 0.755 11.219 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.289 11.099 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.174 11.862 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.378 13.342 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.672 12.669 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.394 13.773 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.068 14.917 3.349 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.793 12.688 2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.633 15.741 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.314 16.161 3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.942 13.234 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.607 14.756 2.580 1.00 0.00 H new ATOM 183 N LEU A 28 -0.710 8.427 3.926 1.00 0.00 N ATOM 184 CA LEU A 28 -0.600 7.240 4.827 1.00 0.00 C ATOM 185 C LEU A 28 0.769 6.563 4.737 1.00 0.00 C ATOM 186 O LEU A 28 1.523 6.552 5.689 1.00 0.00 O ATOM 187 CB LEU A 28 -1.698 6.284 4.365 1.00 0.00 C ATOM 188 CG LEU A 28 -2.387 5.680 5.591 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.537 6.588 6.029 1.00 0.00 C ATOM 190 CD2 LEU A 28 -2.935 4.294 5.245 1.00 0.00 C ATOM 0 H LEU A 28 -1.331 8.309 3.125 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.711 7.536 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.424 6.815 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.273 5.494 3.746 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.664 5.590 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.028 6.158 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.146 7.574 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.258 6.680 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.425 3.867 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.656 4.380 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.115 3.645 4.936 1.00 0.00 H new ATOM 202 N GLU A 29 1.086 5.953 3.629 1.00 0.00 N ATOM 203 CA GLU A 29 2.391 5.235 3.543 1.00 0.00 C ATOM 204 C GLU A 29 3.554 6.168 3.181 1.00 0.00 C ATOM 205 O GLU A 29 4.694 5.869 3.474 1.00 0.00 O ATOM 206 CB GLU A 29 2.174 4.159 2.473 1.00 0.00 C ATOM 207 CG GLU A 29 2.371 4.747 1.073 1.00 0.00 C ATOM 208 CD GLU A 29 3.605 4.110 0.434 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.464 3.664 1.175 1.00 0.00 O ATOM 210 OE2 GLU A 29 3.665 4.074 -0.784 1.00 0.00 O ATOM 0 H GLU A 29 0.508 5.919 2.789 1.00 0.00 H new ATOM 0 HA GLU A 29 2.675 4.809 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.872 3.336 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.169 3.746 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.490 4.560 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.494 5.828 1.133 1.00 0.00 H new ATOM 217 N GLN A 30 3.305 7.287 2.561 1.00 0.00 N ATOM 218 CA GLN A 30 4.450 8.181 2.227 1.00 0.00 C ATOM 219 C GLN A 30 4.820 9.019 3.459 1.00 0.00 C ATOM 220 O GLN A 30 5.951 9.434 3.619 1.00 0.00 O ATOM 221 CB GLN A 30 3.976 9.044 1.044 1.00 0.00 C ATOM 222 CG GLN A 30 3.902 10.530 1.426 1.00 0.00 C ATOM 223 CD GLN A 30 3.781 11.375 0.156 1.00 0.00 C ATOM 224 OE1 GLN A 30 2.605 11.562 -0.382 1.00 0.00 O flip ATOM 225 NE2 GLN A 30 4.766 11.869 -0.355 1.00 0.00 N flip ATOM 0 H GLN A 30 2.383 7.617 2.276 1.00 0.00 H new ATOM 0 HA GLN A 30 5.351 7.634 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.658 8.917 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.995 8.703 0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.046 10.707 2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.793 10.818 1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.685 11.724 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.674 12.429 -1.203 1.00 0.00 H new ATOM 234 N CYS A 31 3.882 9.254 4.340 1.00 0.00 N ATOM 235 CA CYS A 31 4.206 10.045 5.559 1.00 0.00 C ATOM 236 C CYS A 31 4.922 9.137 6.560 1.00 0.00 C ATOM 237 O CYS A 31 5.551 9.593 7.493 1.00 0.00 O ATOM 238 CB CYS A 31 2.860 10.507 6.117 1.00 0.00 C ATOM 239 SG CYS A 31 3.137 11.725 7.428 1.00 0.00 S ATOM 0 H CYS A 31 2.916 8.935 4.268 1.00 0.00 H new ATOM 0 HA CYS A 31 4.857 10.895 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.255 10.943 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.305 9.655 6.509 1.00 0.00 H new ATOM 0 HG CYS A 31 4.233 11.435 8.065 1.00 0.00 H new ATOM 245 N GLY A 32 4.841 7.849 6.354 1.00 0.00 N ATOM 246 CA GLY A 32 5.528 6.905 7.275 1.00 0.00 C ATOM 247 C GLY A 32 4.521 5.923 7.879 1.00 0.00 C ATOM 248 O GLY A 32 4.284 5.931 9.070 1.00 0.00 O ATOM 0 H GLY A 32 4.328 7.413 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.301 6.358 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.026 7.460 8.070 1.00 0.00 H new ATOM 252 N ILE A 33 3.946 5.055 7.086 1.00 0.00 N ATOM 253 CA ILE A 33 2.990 4.072 7.660 1.00 0.00 C ATOM 254 C ILE A 33 3.798 2.911 8.256 1.00 0.00 C ATOM 255 O ILE A 33 4.698 3.122 9.044 1.00 0.00 O ATOM 256 CB ILE A 33 2.086 3.625 6.487 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.919 2.795 7.034 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.882 2.790 5.463 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.267 3.713 7.328 1.00 0.00 C ATOM 0 H ILE A 33 4.097 4.987 6.079 1.00 0.00 H new ATOM 0 HA ILE A 33 2.371 4.478 8.460 1.00 0.00 H new ATOM 0 HB ILE A 33 1.706 4.513 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.631 2.032 6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.223 2.275 7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.223 2.488 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.701 3.388 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.285 1.903 5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.097 3.122 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.025 4.459 8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.576 4.213 6.410 1.00 0.00 H new ATOM 271 N ASN A 34 3.507 1.706 7.888 1.00 0.00 N ATOM 272 CA ASN A 34 4.281 0.552 8.435 1.00 0.00 C ATOM 273 C ASN A 34 5.511 0.290 7.555 1.00 0.00 C ATOM 274 O ASN A 34 5.980 1.165 6.857 1.00 0.00 O ATOM 275 CB ASN A 34 3.318 -0.636 8.384 1.00 0.00 C ATOM 276 CG ASN A 34 3.067 -1.149 9.801 1.00 0.00 C ATOM 277 OD1 ASN A 34 2.137 -0.726 10.459 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.860 -2.055 10.303 1.00 0.00 N ATOM 0 H ASN A 34 2.766 1.460 7.231 1.00 0.00 H new ATOM 0 HA ASN A 34 4.641 0.733 9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.377 -0.336 7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.737 -1.431 7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.699 -2.407 11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.641 -2.411 9.752 1.00 0.00 H new ATOM 285 N ALA A 35 6.037 -0.907 7.578 1.00 0.00 N ATOM 286 CA ALA A 35 7.233 -1.217 6.733 1.00 0.00 C ATOM 287 C ALA A 35 7.053 -0.649 5.333 1.00 0.00 C ATOM 288 O ALA A 35 8.006 -0.406 4.613 1.00 0.00 O ATOM 289 CB ALA A 35 7.273 -2.741 6.637 1.00 0.00 C ATOM 0 H ALA A 35 5.692 -1.683 8.143 1.00 0.00 H new ATOM 0 HA ALA A 35 8.141 -0.792 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.126 -3.045 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.368 -3.166 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.353 -3.101 6.176 1.00 0.00 H new ATOM 295 N ASN A 36 5.834 -0.483 4.925 1.00 0.00 N ATOM 296 CA ASN A 36 5.578 0.013 3.550 1.00 0.00 C ATOM 297 C ASN A 36 6.506 1.161 3.176 1.00 0.00 C ATOM 298 O ASN A 36 7.346 1.018 2.314 1.00 0.00 O ATOM 299 CB ASN A 36 4.134 0.513 3.515 1.00 0.00 C ATOM 300 CG ASN A 36 3.214 -0.458 4.253 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.051 -0.366 5.453 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.604 -1.390 3.581 1.00 0.00 N ATOM 0 H ASN A 36 5.001 -0.669 5.483 1.00 0.00 H new ATOM 0 HA ASN A 36 5.754 -0.794 2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.073 1.500 3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.805 0.621 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.988 -2.045 4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.742 -1.466 2.573 1.00 0.00 H new ATOM 309 N ASP A 37 6.327 2.303 3.789 1.00 0.00 N ATOM 310 CA ASP A 37 7.164 3.492 3.453 1.00 0.00 C ATOM 311 C ASP A 37 8.525 3.066 2.903 1.00 0.00 C ATOM 312 O ASP A 37 8.921 3.452 1.822 1.00 0.00 O ATOM 313 CB ASP A 37 7.332 4.234 4.781 1.00 0.00 C ATOM 314 CG ASP A 37 7.884 5.638 4.521 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.051 5.739 4.182 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.130 6.585 4.664 1.00 0.00 O ATOM 0 H ASP A 37 5.629 2.463 4.515 1.00 0.00 H new ATOM 0 HA ASP A 37 6.703 4.112 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.374 4.299 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.008 3.682 5.434 1.00 0.00 H new ATOM 321 N VAL A 38 9.234 2.266 3.641 1.00 0.00 N ATOM 322 CA VAL A 38 10.577 1.810 3.185 1.00 0.00 C ATOM 323 C VAL A 38 10.524 1.070 1.840 1.00 0.00 C ATOM 324 O VAL A 38 11.004 1.562 0.837 1.00 0.00 O ATOM 325 CB VAL A 38 11.068 0.862 4.278 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.564 0.609 4.096 1.00 0.00 C ATOM 327 CG2 VAL A 38 10.827 1.490 5.653 1.00 0.00 C ATOM 0 H VAL A 38 8.941 1.904 4.548 1.00 0.00 H new ATOM 0 HA VAL A 38 11.236 2.664 3.029 1.00 0.00 H new ATOM 0 HB VAL A 38 10.524 -0.080 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.916 -0.067 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.741 0.160 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.104 1.554 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.178 0.811 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.370 2.433 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.761 1.674 5.787 1.00 0.00 H new ATOM 337 N LYS A 39 9.999 -0.129 1.815 1.00 0.00 N ATOM 338 CA LYS A 39 10.000 -0.903 0.538 1.00 0.00 C ATOM 339 C LYS A 39 8.775 -0.613 -0.334 1.00 0.00 C ATOM 340 O LYS A 39 8.824 -0.745 -1.542 1.00 0.00 O ATOM 341 CB LYS A 39 10.007 -2.364 0.978 1.00 0.00 C ATOM 342 CG LYS A 39 11.122 -2.586 2.004 1.00 0.00 C ATOM 343 CD LYS A 39 10.643 -3.574 3.065 1.00 0.00 C ATOM 344 CE LYS A 39 9.734 -2.865 4.071 1.00 0.00 C ATOM 345 NZ LYS A 39 8.371 -2.926 3.474 1.00 0.00 N ATOM 0 H LYS A 39 9.575 -0.600 2.614 1.00 0.00 H new ATOM 0 HA LYS A 39 10.857 -0.634 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.042 -2.628 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.158 -3.013 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.015 -2.970 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.397 -1.640 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.104 -4.395 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.499 -4.010 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.761 -3.358 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.049 -1.834 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.075 -1.971 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.384 -3.549 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.701 -3.300 4.176 1.00 0.00 H new ATOM 359 N LYS A 40 7.675 -0.233 0.240 1.00 0.00 N ATOM 360 CA LYS A 40 6.485 0.028 -0.609 1.00 0.00 C ATOM 361 C LYS A 40 6.653 1.330 -1.390 1.00 0.00 C ATOM 362 O LYS A 40 6.489 1.366 -2.586 1.00 0.00 O ATOM 363 CB LYS A 40 5.315 0.161 0.350 1.00 0.00 C ATOM 364 CG LYS A 40 4.270 -0.914 0.043 1.00 0.00 C ATOM 365 CD LYS A 40 3.208 -0.344 -0.897 1.00 0.00 C ATOM 366 CE LYS A 40 2.617 0.930 -0.288 1.00 0.00 C ATOM 367 NZ LYS A 40 1.299 1.120 -0.963 1.00 0.00 N ATOM 0 H LYS A 40 7.547 -0.093 1.242 1.00 0.00 H new ATOM 0 HA LYS A 40 6.337 -0.773 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.662 0.061 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.869 1.151 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.748 -1.780 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.805 -1.258 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.648 -0.124 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.421 -1.080 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.495 0.829 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.271 1.786 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.574 1.344 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.368 1.902 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.036 0.247 -1.463 1.00 0.00 H new ATOM 381 N LEU A 41 6.942 2.414 -0.719 1.00 0.00 N ATOM 382 CA LEU A 41 7.057 3.717 -1.441 1.00 0.00 C ATOM 383 C LEU A 41 8.434 3.940 -2.090 1.00 0.00 C ATOM 384 O LEU A 41 8.543 4.646 -3.070 1.00 0.00 O ATOM 385 CB LEU A 41 6.781 4.781 -0.362 1.00 0.00 C ATOM 386 CG LEU A 41 8.088 5.430 0.109 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.504 6.522 -0.874 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.885 6.039 1.495 1.00 0.00 C ATOM 0 H LEU A 41 7.102 2.455 0.288 1.00 0.00 H new ATOM 0 HA LEU A 41 6.357 3.757 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.113 5.545 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.271 4.323 0.485 1.00 0.00 H new ATOM 0 HG LEU A 41 8.870 4.672 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.433 6.981 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.653 6.085 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.723 7.280 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.814 6.500 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.101 6.795 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.595 5.257 2.197 1.00 0.00 H new ATOM 400 N GLU A 42 9.489 3.407 -1.546 1.00 0.00 N ATOM 401 CA GLU A 42 10.819 3.691 -2.158 1.00 0.00 C ATOM 402 C GLU A 42 11.161 2.729 -3.298 1.00 0.00 C ATOM 403 O GLU A 42 11.973 3.039 -4.146 1.00 0.00 O ATOM 404 CB GLU A 42 11.826 3.547 -1.017 1.00 0.00 C ATOM 405 CG GLU A 42 13.126 4.263 -1.391 1.00 0.00 C ATOM 406 CD GLU A 42 13.792 4.811 -0.126 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.486 4.051 0.531 1.00 0.00 O ATOM 408 OE2 GLU A 42 13.600 5.980 0.161 1.00 0.00 O ATOM 0 H GLU A 42 9.494 2.802 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 42 10.829 4.685 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.416 3.970 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.022 2.493 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.800 3.573 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.918 5.076 -2.086 1.00 0.00 H new ATOM 415 N GLU A 43 10.578 1.568 -3.334 1.00 0.00 N ATOM 416 CA GLU A 43 10.922 0.621 -4.434 1.00 0.00 C ATOM 417 C GLU A 43 10.161 0.976 -5.714 1.00 0.00 C ATOM 418 O GLU A 43 10.214 0.266 -6.699 1.00 0.00 O ATOM 419 CB GLU A 43 10.507 -0.740 -3.906 1.00 0.00 C ATOM 420 CG GLU A 43 11.181 -0.972 -2.553 1.00 0.00 C ATOM 421 CD GLU A 43 12.692 -0.762 -2.683 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.120 0.377 -2.591 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.394 -1.742 -2.867 1.00 0.00 O ATOM 0 H GLU A 43 9.888 1.233 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 43 11.979 0.653 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.423 -0.789 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.795 -1.521 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.772 -0.287 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.974 -1.983 -2.202 1.00 0.00 H new ATOM 430 N ALA A 44 9.467 2.075 -5.705 1.00 0.00 N ATOM 431 CA ALA A 44 8.708 2.499 -6.916 1.00 0.00 C ATOM 432 C ALA A 44 7.968 3.802 -6.617 1.00 0.00 C ATOM 433 O ALA A 44 7.968 4.724 -7.407 1.00 0.00 O ATOM 434 CB ALA A 44 7.723 1.370 -7.195 1.00 0.00 C ATOM 0 H ALA A 44 9.390 2.705 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 44 9.355 2.679 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.129 1.615 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.271 0.445 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.064 1.242 -6.337 1.00 0.00 H new ATOM 440 N GLY A 45 7.357 3.894 -5.467 1.00 0.00 N ATOM 441 CA GLY A 45 6.645 5.154 -5.114 1.00 0.00 C ATOM 442 C GLY A 45 5.126 4.985 -5.222 1.00 0.00 C ATOM 443 O GLY A 45 4.433 5.881 -5.664 1.00 0.00 O ATOM 0 H GLY A 45 7.320 3.158 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.909 5.451 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.972 5.956 -5.776 1.00 0.00 H new ATOM 447 N PHE A 46 4.586 3.864 -4.819 1.00 0.00 N ATOM 448 CA PHE A 46 3.088 3.708 -4.914 1.00 0.00 C ATOM 449 C PHE A 46 2.385 4.590 -3.875 1.00 0.00 C ATOM 450 O PHE A 46 1.174 4.606 -3.781 1.00 0.00 O ATOM 451 CB PHE A 46 2.756 2.241 -4.613 1.00 0.00 C ATOM 452 CG PHE A 46 3.594 1.330 -5.462 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.853 0.976 -5.012 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.117 0.842 -6.684 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.656 0.136 -5.763 1.00 0.00 C ATOM 456 CE2 PHE A 46 3.923 -0.010 -7.451 1.00 0.00 C ATOM 457 CZ PHE A 46 5.200 -0.360 -6.990 1.00 0.00 C ATOM 0 H PHE A 46 5.093 3.066 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 46 2.751 4.003 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.933 2.030 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.699 2.055 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.212 1.358 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.134 1.120 -7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.636 -0.137 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.562 -0.395 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.830 -1.010 -7.579 1.00 0.00 H new ATOM 467 N HIS A 47 3.134 5.300 -3.078 1.00 0.00 N ATOM 468 CA HIS A 47 2.521 6.160 -2.022 1.00 0.00 C ATOM 469 C HIS A 47 1.596 7.223 -2.623 1.00 0.00 C ATOM 470 O HIS A 47 1.892 8.398 -2.584 1.00 0.00 O ATOM 471 CB HIS A 47 3.707 6.826 -1.330 1.00 0.00 C ATOM 472 CG HIS A 47 4.582 7.493 -2.355 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.742 6.902 -2.829 1.00 0.00 N ATOM 474 CD2 HIS A 47 4.486 8.700 -3.003 1.00 0.00 C ATOM 475 CE1 HIS A 47 6.293 7.745 -3.721 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.568 8.857 -3.866 1.00 0.00 N ATOM 0 H HIS A 47 4.153 5.323 -3.112 1.00 0.00 H new ATOM 0 HA HIS A 47 1.905 5.574 -1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.353 7.560 -0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.281 6.083 -0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.692 9.419 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.210 7.546 -4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.764 9.650 -4.477 1.00 0.00 H new ATOM 484 N THR A 48 0.474 6.819 -3.154 1.00 0.00 N ATOM 485 CA THR A 48 -0.489 7.810 -3.742 1.00 0.00 C ATOM 486 C THR A 48 -1.520 7.104 -4.624 1.00 0.00 C ATOM 487 O THR A 48 -1.448 7.150 -5.836 1.00 0.00 O ATOM 488 CB THR A 48 0.350 8.770 -4.594 1.00 0.00 C ATOM 489 OG1 THR A 48 -0.506 9.451 -5.503 1.00 0.00 O ATOM 490 CG2 THR A 48 1.407 7.990 -5.383 1.00 0.00 C ATOM 0 H THR A 48 0.177 5.845 -3.209 1.00 0.00 H new ATOM 0 HA THR A 48 -1.034 8.335 -2.957 1.00 0.00 H new ATOM 0 HB THR A 48 0.851 9.485 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.841 8.819 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.997 8.682 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.062 7.462 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.915 7.270 -6.037 1.00 0.00 H new ATOM 498 N VAL A 49 -2.481 6.456 -4.027 1.00 0.00 N ATOM 499 CA VAL A 49 -3.529 5.753 -4.825 1.00 0.00 C ATOM 500 C VAL A 49 -2.907 4.688 -5.741 1.00 0.00 C ATOM 501 O VAL A 49 -3.587 4.080 -6.542 1.00 0.00 O ATOM 502 CB VAL A 49 -4.209 6.862 -5.640 1.00 0.00 C ATOM 503 CG1 VAL A 49 -4.841 6.283 -6.909 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.303 7.510 -4.790 1.00 0.00 C ATOM 0 H VAL A 49 -2.588 6.382 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.238 5.219 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.460 7.602 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.319 7.083 -7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.068 5.817 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.587 5.536 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.790 8.299 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.040 6.757 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.860 7.936 -3.890 1.00 0.00 H new ATOM 514 N GLU A 50 -1.632 4.441 -5.628 1.00 0.00 N ATOM 515 CA GLU A 50 -1.009 3.404 -6.490 1.00 0.00 C ATOM 516 C GLU A 50 -1.055 2.051 -5.782 1.00 0.00 C ATOM 517 O GLU A 50 -0.555 1.066 -6.278 1.00 0.00 O ATOM 518 CB GLU A 50 0.433 3.860 -6.695 1.00 0.00 C ATOM 519 CG GLU A 50 0.826 3.664 -8.160 1.00 0.00 C ATOM 520 CD GLU A 50 1.568 4.904 -8.659 1.00 0.00 C ATOM 521 OE1 GLU A 50 0.917 5.914 -8.869 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.774 4.822 -8.825 1.00 0.00 O ATOM 0 H GLU A 50 -0.999 4.910 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.527 3.288 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.537 4.909 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.101 3.291 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.459 2.782 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.063 3.491 -8.766 1.00 0.00 H new ATOM 529 N ALA A 51 -1.645 2.000 -4.619 1.00 0.00 N ATOM 530 CA ALA A 51 -1.725 0.709 -3.876 1.00 0.00 C ATOM 531 C ALA A 51 -3.030 -0.025 -4.214 1.00 0.00 C ATOM 532 O ALA A 51 -3.331 -1.056 -3.649 1.00 0.00 O ATOM 533 CB ALA A 51 -1.698 1.097 -2.398 1.00 0.00 C ATOM 0 H ALA A 51 -2.076 2.797 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.908 0.036 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.754 0.198 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.773 1.629 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.549 1.741 -2.175 1.00 0.00 H new ATOM 539 N VAL A 52 -3.814 0.499 -5.121 1.00 0.00 N ATOM 540 CA VAL A 52 -5.100 -0.181 -5.467 1.00 0.00 C ATOM 541 C VAL A 52 -5.149 -0.535 -6.960 1.00 0.00 C ATOM 542 O VAL A 52 -5.557 -1.618 -7.334 1.00 0.00 O ATOM 543 CB VAL A 52 -6.205 0.823 -5.104 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.460 0.781 -3.594 1.00 0.00 C ATOM 545 CG2 VAL A 52 -5.782 2.240 -5.505 1.00 0.00 C ATOM 0 H VAL A 52 -3.623 1.360 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.217 -1.120 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.116 0.555 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.244 1.494 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.773 -0.222 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.545 1.042 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.572 2.943 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.867 2.510 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.605 2.276 -6.580 1.00 0.00 H new ATOM 555 N ALA A 53 -4.735 0.358 -7.817 1.00 0.00 N ATOM 556 CA ALA A 53 -4.759 0.057 -9.279 1.00 0.00 C ATOM 557 C ALA A 53 -3.378 0.314 -9.879 1.00 0.00 C ATOM 558 O ALA A 53 -3.012 1.438 -10.158 1.00 0.00 O ATOM 559 CB ALA A 53 -5.791 1.017 -9.868 1.00 0.00 C ATOM 0 H ALA A 53 -4.381 1.282 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.014 -0.982 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.866 0.856 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.761 0.836 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.483 2.045 -9.676 1.00 0.00 H new ATOM 565 N TYR A 54 -2.598 -0.717 -10.063 1.00 0.00 N ATOM 566 CA TYR A 54 -1.234 -0.517 -10.621 1.00 0.00 C ATOM 567 C TYR A 54 -0.530 -1.862 -10.826 1.00 0.00 C ATOM 568 O TYR A 54 0.138 -2.080 -11.816 1.00 0.00 O ATOM 569 CB TYR A 54 -0.509 0.295 -9.550 1.00 0.00 C ATOM 570 CG TYR A 54 -0.404 -0.533 -8.288 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.557 -0.857 -7.558 1.00 0.00 C ATOM 572 CD2 TYR A 54 0.848 -0.982 -7.851 1.00 0.00 C ATOM 573 CE1 TYR A 54 -1.455 -1.626 -6.394 1.00 0.00 C ATOM 574 CE2 TYR A 54 0.948 -1.753 -6.686 1.00 0.00 C ATOM 575 CZ TYR A 54 -0.202 -2.074 -5.957 1.00 0.00 C ATOM 576 OH TYR A 54 -0.102 -2.835 -4.810 1.00 0.00 O ATOM 0 H TYR A 54 -2.846 -1.683 -9.852 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.252 -0.022 -11.592 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.485 0.576 -9.899 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.050 1.220 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.524 -0.513 -7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.737 -0.734 -8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.343 -1.874 -5.832 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.914 -2.100 -6.350 1.00 0.00 H new ATOM 0 HH TYR A 54 0.780 -3.261 -4.776 1.00 0.00 H new ATOM 586 N ALA A 55 -0.666 -2.760 -9.889 1.00 0.00 N ATOM 587 CA ALA A 55 0.003 -4.084 -10.016 1.00 0.00 C ATOM 588 C ALA A 55 -0.465 -5.007 -8.888 1.00 0.00 C ATOM 589 O ALA A 55 -1.001 -4.547 -7.900 1.00 0.00 O ATOM 590 CB ALA A 55 1.498 -3.784 -9.878 1.00 0.00 C ATOM 0 H ALA A 55 -1.214 -2.632 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.226 -4.582 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.064 -4.712 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.806 -3.099 -10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.689 -3.327 -8.907 1.00 0.00 H new ATOM 596 N PRO A 56 -0.235 -6.281 -9.063 1.00 0.00 N ATOM 597 CA PRO A 56 -0.630 -7.264 -8.029 1.00 0.00 C ATOM 598 C PRO A 56 0.243 -7.076 -6.793 1.00 0.00 C ATOM 599 O PRO A 56 1.453 -7.114 -6.865 1.00 0.00 O ATOM 600 CB PRO A 56 -0.382 -8.614 -8.697 1.00 0.00 C ATOM 601 CG PRO A 56 0.641 -8.336 -9.746 1.00 0.00 C ATOM 602 CD PRO A 56 0.410 -6.921 -10.214 1.00 0.00 C ATOM 0 HA PRO A 56 -1.662 -7.164 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.022 -9.351 -7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.297 -9.014 -9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.648 -8.451 -9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.546 -9.038 -10.575 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.346 -6.427 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.225 -6.890 -11.099 1.00 0.00 H new ATOM 610 N LYS A 57 -0.368 -6.852 -5.665 1.00 0.00 N ATOM 611 CA LYS A 57 0.413 -6.638 -4.415 1.00 0.00 C ATOM 612 C LYS A 57 1.624 -7.566 -4.361 1.00 0.00 C ATOM 613 O LYS A 57 2.652 -7.206 -3.843 1.00 0.00 O ATOM 614 CB LYS A 57 -0.564 -6.968 -3.284 1.00 0.00 C ATOM 615 CG LYS A 57 -1.154 -8.362 -3.510 1.00 0.00 C ATOM 616 CD LYS A 57 -2.433 -8.517 -2.685 1.00 0.00 C ATOM 617 CE LYS A 57 -2.263 -9.668 -1.688 1.00 0.00 C ATOM 618 NZ LYS A 57 -3.266 -10.688 -2.102 1.00 0.00 N ATOM 0 H LYS A 57 -1.381 -6.808 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 57 0.801 -5.622 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.051 -6.930 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.361 -6.225 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.371 -8.509 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.430 -9.125 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.650 -7.590 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.280 -8.713 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.252 -10.073 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.439 -9.334 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.210 -11.508 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.220 -10.276 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.069 -10.993 -3.077 1.00 0.00 H new ATOM 632 N LYS A 58 1.511 -8.752 -4.890 1.00 0.00 N ATOM 633 CA LYS A 58 2.668 -9.702 -4.853 1.00 0.00 C ATOM 634 C LYS A 58 3.801 -9.232 -5.774 1.00 0.00 C ATOM 635 O LYS A 58 4.942 -9.628 -5.626 1.00 0.00 O ATOM 636 CB LYS A 58 2.100 -11.027 -5.359 1.00 0.00 C ATOM 637 CG LYS A 58 2.099 -12.053 -4.226 1.00 0.00 C ATOM 638 CD LYS A 58 0.657 -12.380 -3.835 1.00 0.00 C ATOM 639 CE LYS A 58 0.655 -13.355 -2.657 1.00 0.00 C ATOM 640 NZ LYS A 58 -0.671 -13.165 -2.005 1.00 0.00 N ATOM 0 H LYS A 58 0.671 -9.108 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 58 3.093 -9.779 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.086 -10.881 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.696 -11.394 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.616 -12.959 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.640 -11.660 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.126 -11.467 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.129 -12.817 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.786 -14.383 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.470 -13.141 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.756 -13.813 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.757 -12.183 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.427 -13.366 -2.690 1.00 0.00 H new ATOM 654 N GLU A 59 3.500 -8.395 -6.721 1.00 0.00 N ATOM 655 CA GLU A 59 4.563 -7.916 -7.652 1.00 0.00 C ATOM 656 C GLU A 59 5.343 -6.783 -7.011 1.00 0.00 C ATOM 657 O GLU A 59 6.540 -6.866 -6.834 1.00 0.00 O ATOM 658 CB GLU A 59 3.826 -7.430 -8.902 1.00 0.00 C ATOM 659 CG GLU A 59 4.785 -6.617 -9.776 1.00 0.00 C ATOM 660 CD GLU A 59 5.793 -7.559 -10.434 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.382 -8.620 -10.875 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.960 -7.206 -10.489 1.00 0.00 O ATOM 0 H GLU A 59 2.567 -8.020 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 59 5.280 -8.700 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.439 -8.281 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.969 -6.819 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.227 -6.073 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.305 -5.875 -9.171 1.00 0.00 H new ATOM 669 N LEU A 60 4.686 -5.727 -6.644 1.00 0.00 N ATOM 670 CA LEU A 60 5.428 -4.625 -6.003 1.00 0.00 C ATOM 671 C LEU A 60 6.230 -5.204 -4.836 1.00 0.00 C ATOM 672 O LEU A 60 7.440 -5.103 -4.788 1.00 0.00 O ATOM 673 CB LEU A 60 4.348 -3.629 -5.534 1.00 0.00 C ATOM 674 CG LEU A 60 4.599 -3.174 -4.087 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.020 -2.602 -3.948 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.584 -2.092 -3.715 1.00 0.00 C ATOM 0 H LEU A 60 3.683 -5.582 -6.759 1.00 0.00 H new ATOM 0 HA LEU A 60 6.137 -4.124 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.339 -2.762 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.365 -4.094 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 60 4.493 -4.031 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.185 -2.283 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.748 -3.369 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.135 -1.748 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.759 -1.767 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.694 -1.243 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.575 -2.495 -3.801 1.00 0.00 H new ATOM 688 N ILE A 61 5.566 -5.793 -3.882 1.00 0.00 N ATOM 689 CA ILE A 61 6.299 -6.345 -2.715 1.00 0.00 C ATOM 690 C ILE A 61 7.423 -7.255 -3.182 1.00 0.00 C ATOM 691 O ILE A 61 8.418 -7.423 -2.503 1.00 0.00 O ATOM 692 CB ILE A 61 5.266 -7.122 -1.922 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.685 -8.219 -2.815 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.168 -6.157 -1.472 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.565 -9.469 -2.727 1.00 0.00 C ATOM 0 H ILE A 61 4.553 -5.915 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 61 6.760 -5.563 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 61 5.717 -7.583 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.667 -8.455 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.630 -7.872 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.417 -6.702 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.603 -5.376 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.700 -5.705 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.151 -10.251 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.575 -9.227 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.597 -9.820 -1.695 1.00 0.00 H new ATOM 707 N ASN A 62 7.297 -7.827 -4.345 1.00 0.00 N ATOM 708 CA ASN A 62 8.391 -8.698 -4.841 1.00 0.00 C ATOM 709 C ASN A 62 9.704 -7.911 -4.873 1.00 0.00 C ATOM 710 O ASN A 62 10.759 -8.474 -5.085 1.00 0.00 O ATOM 711 CB ASN A 62 7.981 -9.115 -6.255 1.00 0.00 C ATOM 712 CG ASN A 62 8.910 -10.228 -6.743 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.754 -10.003 -7.588 1.00 0.00 O ATOM 714 ND2 ASN A 62 8.792 -11.428 -6.246 1.00 0.00 N ATOM 0 H ASN A 62 6.493 -7.730 -4.966 1.00 0.00 H new ATOM 0 HA ASN A 62 8.546 -9.566 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.947 -9.460 -6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.034 -8.260 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.407 -12.176 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.084 -11.619 -5.537 1.00 0.00 H new ATOM 721 N ILE A 63 9.667 -6.612 -4.659 1.00 0.00 N ATOM 722 CA ILE A 63 10.947 -5.851 -4.684 1.00 0.00 C ATOM 723 C ILE A 63 11.959 -6.523 -3.760 1.00 0.00 C ATOM 724 O ILE A 63 12.783 -7.312 -4.181 1.00 0.00 O ATOM 725 CB ILE A 63 10.591 -4.438 -4.207 1.00 0.00 C ATOM 726 CG1 ILE A 63 10.146 -3.611 -5.417 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.814 -3.775 -3.560 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.929 -2.763 -5.047 1.00 0.00 C ATOM 0 H ILE A 63 8.826 -6.065 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 63 11.402 -5.820 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 63 9.790 -4.493 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.961 -2.968 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.901 -4.271 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.550 -2.772 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.140 -4.369 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.622 -3.713 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.617 -2.177 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.112 -3.415 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.189 -2.092 -4.228 1.00 0.00 H new ATOM 740 N LYS A 64 11.890 -6.219 -2.508 1.00 0.00 N ATOM 741 CA LYS A 64 12.833 -6.835 -1.532 1.00 0.00 C ATOM 742 C LYS A 64 12.431 -8.286 -1.273 1.00 0.00 C ATOM 743 O LYS A 64 13.265 -9.162 -1.150 1.00 0.00 O ATOM 744 CB LYS A 64 12.693 -6.002 -0.260 1.00 0.00 C ATOM 745 CG LYS A 64 13.591 -6.584 0.831 1.00 0.00 C ATOM 746 CD LYS A 64 14.669 -5.566 1.200 1.00 0.00 C ATOM 747 CE LYS A 64 14.329 -4.929 2.549 1.00 0.00 C ATOM 748 NZ LYS A 64 14.964 -3.582 2.507 1.00 0.00 N ATOM 0 H LYS A 64 11.218 -5.565 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 64 13.861 -6.844 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.968 -4.966 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.655 -5.998 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.997 -6.836 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.052 -7.508 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.642 -6.054 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.737 -4.798 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.251 -4.853 2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.718 -5.523 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.776 -3.081 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.991 -3.686 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.570 -3.037 1.714 1.00 0.00 H new ATOM 762 N GLY A 65 11.154 -8.549 -1.200 1.00 0.00 N ATOM 763 CA GLY A 65 10.696 -9.946 -0.962 1.00 0.00 C ATOM 764 C GLY A 65 9.511 -9.968 0.010 1.00 0.00 C ATOM 765 O GLY A 65 9.308 -10.932 0.721 1.00 0.00 O ATOM 0 H GLY A 65 10.410 -7.858 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.406 -10.405 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.516 -10.539 -0.557 1.00 0.00 H new ATOM 769 N ILE A 66 8.715 -8.929 0.053 1.00 0.00 N ATOM 770 CA ILE A 66 7.556 -8.941 0.986 1.00 0.00 C ATOM 771 C ILE A 66 6.343 -9.589 0.313 1.00 0.00 C ATOM 772 O ILE A 66 6.465 -10.509 -0.469 1.00 0.00 O ATOM 773 CB ILE A 66 7.237 -7.477 1.323 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.484 -6.597 1.245 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.692 -7.414 2.740 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.518 -5.890 -0.104 1.00 0.00 C ATOM 0 H ILE A 66 8.818 -8.085 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 66 7.790 -9.512 1.885 1.00 0.00 H new ATOM 0 HB ILE A 66 6.510 -7.110 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.477 -5.865 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.380 -7.204 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.460 -6.380 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.786 -8.016 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.438 -7.800 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.406 -5.261 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.544 -6.631 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.628 -5.271 -0.213 1.00 0.00 H new ATOM 788 N SER A 67 5.177 -9.094 0.625 1.00 0.00 N ATOM 789 CA SER A 67 3.912 -9.630 0.043 1.00 0.00 C ATOM 790 C SER A 67 2.751 -8.898 0.714 1.00 0.00 C ATOM 791 O SER A 67 2.759 -7.687 0.823 1.00 0.00 O ATOM 792 CB SER A 67 3.893 -11.119 0.399 1.00 0.00 C ATOM 793 OG SER A 67 2.803 -11.744 -0.265 1.00 0.00 O ATOM 0 H SER A 67 5.045 -8.320 1.276 1.00 0.00 H new ATOM 0 HA SER A 67 3.835 -9.494 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.832 -11.588 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.799 -11.246 1.477 1.00 0.00 H new ATOM 0 HG SER A 67 2.787 -12.698 -0.042 1.00 0.00 H new ATOM 799 N GLU A 68 1.772 -9.605 1.204 1.00 0.00 N ATOM 800 CA GLU A 68 0.659 -8.909 1.900 1.00 0.00 C ATOM 801 C GLU A 68 1.238 -8.134 3.088 1.00 0.00 C ATOM 802 O GLU A 68 0.605 -7.260 3.642 1.00 0.00 O ATOM 803 CB GLU A 68 -0.280 -10.018 2.372 1.00 0.00 C ATOM 804 CG GLU A 68 -0.956 -10.651 1.156 1.00 0.00 C ATOM 805 CD GLU A 68 -2.386 -11.054 1.512 1.00 0.00 C ATOM 806 OE1 GLU A 68 -3.051 -10.280 2.181 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.794 -12.132 1.111 1.00 0.00 O ATOM 0 H GLU A 68 1.695 -10.621 1.153 1.00 0.00 H new ATOM 0 HA GLU A 68 0.130 -8.199 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.278 -10.772 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.030 -9.612 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.963 -9.947 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.393 -11.525 0.829 1.00 0.00 H new ATOM 814 N ALA A 69 2.449 -8.459 3.475 1.00 0.00 N ATOM 815 CA ALA A 69 3.088 -7.748 4.619 1.00 0.00 C ATOM 816 C ALA A 69 2.784 -6.254 4.544 1.00 0.00 C ATOM 817 O ALA A 69 1.919 -5.751 5.234 1.00 0.00 O ATOM 818 CB ALA A 69 4.582 -8.001 4.453 1.00 0.00 C ATOM 0 H ALA A 69 3.020 -9.187 3.045 1.00 0.00 H new ATOM 0 HA ALA A 69 2.721 -8.098 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.126 -7.509 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.775 -9.073 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.914 -7.602 3.495 1.00 0.00 H new ATOM 824 N LYS A 70 3.475 -5.544 3.699 1.00 0.00 N ATOM 825 CA LYS A 70 3.207 -4.088 3.570 1.00 0.00 C ATOM 826 C LYS A 70 2.033 -3.872 2.609 1.00 0.00 C ATOM 827 O LYS A 70 1.125 -3.112 2.881 1.00 0.00 O ATOM 828 CB LYS A 70 4.502 -3.491 3.009 1.00 0.00 C ATOM 829 CG LYS A 70 4.619 -3.820 1.521 1.00 0.00 C ATOM 830 CD LYS A 70 5.950 -3.299 0.976 1.00 0.00 C ATOM 831 CE LYS A 70 6.127 -3.790 -0.462 1.00 0.00 C ATOM 832 NZ LYS A 70 7.464 -3.289 -0.883 1.00 0.00 N ATOM 0 H LYS A 70 4.211 -5.908 3.094 1.00 0.00 H new ATOM 0 HA LYS A 70 2.936 -3.619 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.508 -2.411 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.361 -3.890 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.552 -4.898 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.791 -3.370 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.969 -2.210 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.774 -3.649 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.079 -4.878 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.340 -3.404 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.855 -3.917 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.369 -2.327 -1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.103 -3.273 -0.062 1.00 0.00 H new ATOM 846 N ALA A 71 2.027 -4.550 1.495 1.00 0.00 N ATOM 847 CA ALA A 71 0.893 -4.374 0.539 1.00 0.00 C ATOM 848 C ALA A 71 -0.439 -4.430 1.291 1.00 0.00 C ATOM 849 O ALA A 71 -1.162 -3.454 1.373 1.00 0.00 O ATOM 850 CB ALA A 71 1.006 -5.543 -0.437 1.00 0.00 C ATOM 0 H ALA A 71 2.748 -5.211 1.206 1.00 0.00 H new ATOM 0 HA ALA A 71 0.932 -3.414 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.204 -5.482 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.969 -5.500 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.926 -6.483 0.110 1.00 0.00 H new ATOM 856 N ASP A 72 -0.771 -5.565 1.840 1.00 0.00 N ATOM 857 CA ASP A 72 -2.056 -5.681 2.586 1.00 0.00 C ATOM 858 C ASP A 72 -2.078 -4.694 3.754 1.00 0.00 C ATOM 859 O ASP A 72 -3.101 -4.121 4.076 1.00 0.00 O ATOM 860 CB ASP A 72 -2.092 -7.121 3.099 1.00 0.00 C ATOM 861 CG ASP A 72 -3.543 -7.549 3.324 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.169 -7.981 2.369 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.006 -7.440 4.448 1.00 0.00 O ATOM 0 H ASP A 72 -0.210 -6.416 1.805 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.918 -5.452 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.613 -7.786 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.530 -7.200 4.030 1.00 0.00 H new ATOM 868 N LYS A 73 -0.959 -4.489 4.393 1.00 0.00 N ATOM 869 CA LYS A 73 -0.925 -3.538 5.539 1.00 0.00 C ATOM 870 C LYS A 73 -1.467 -2.173 5.105 1.00 0.00 C ATOM 871 O LYS A 73 -1.986 -1.420 5.907 1.00 0.00 O ATOM 872 CB LYS A 73 0.551 -3.434 5.930 1.00 0.00 C ATOM 873 CG LYS A 73 0.771 -2.190 6.795 1.00 0.00 C ATOM 874 CD LYS A 73 -0.178 -2.221 7.999 1.00 0.00 C ATOM 875 CE LYS A 73 0.498 -2.944 9.167 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.157 -4.282 9.223 1.00 0.00 N ATOM 0 H LYS A 73 -0.070 -4.937 4.172 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.540 -3.874 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.856 -4.327 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.171 -3.380 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.805 -2.151 7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.596 -1.290 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.444 -1.205 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.105 -2.728 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.572 -3.037 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.362 -2.398 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.466 -4.953 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.058 -4.206 9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.337 -4.621 8.256 1.00 0.00 H new ATOM 890 N ILE A 74 -1.355 -1.846 3.844 1.00 0.00 N ATOM 891 CA ILE A 74 -1.867 -0.530 3.371 1.00 0.00 C ATOM 892 C ILE A 74 -3.386 -0.589 3.198 1.00 0.00 C ATOM 893 O ILE A 74 -4.120 0.166 3.807 1.00 0.00 O ATOM 894 CB ILE A 74 -1.173 -0.296 2.027 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.248 0.216 2.274 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.950 0.741 1.213 1.00 0.00 C ATOM 897 CD1 ILE A 74 0.193 1.668 2.753 1.00 0.00 C ATOM 0 H ILE A 74 -0.932 -2.433 3.125 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.662 0.276 4.076 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.137 -1.234 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.745 -0.405 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.835 0.146 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.450 0.903 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.963 0.380 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.991 1.680 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.205 2.032 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.287 2.284 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.379 1.724 3.679 1.00 0.00 H new ATOM 909 N LEU A 75 -3.864 -1.478 2.374 1.00 0.00 N ATOM 910 CA LEU A 75 -5.336 -1.577 2.168 1.00 0.00 C ATOM 911 C LEU A 75 -6.034 -1.808 3.510 1.00 0.00 C ATOM 912 O LEU A 75 -7.219 -1.583 3.654 1.00 0.00 O ATOM 913 CB LEU A 75 -5.530 -2.780 1.245 1.00 0.00 C ATOM 914 CG LEU A 75 -4.863 -2.505 -0.106 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.550 -3.830 -0.804 1.00 0.00 C ATOM 916 CD2 LEU A 75 -5.808 -1.681 -0.986 1.00 0.00 C ATOM 0 H LEU A 75 -3.302 -2.138 1.836 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.758 -0.668 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.100 -3.673 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.593 -2.975 1.104 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.938 -1.951 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.075 -3.632 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.877 -4.419 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.475 -4.385 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.332 -1.486 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.733 -2.235 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.032 -0.735 -0.493 1.00 0.00 H new ATOM 928 N ALA A 76 -5.304 -2.248 4.499 1.00 0.00 N ATOM 929 CA ALA A 76 -5.923 -2.487 5.833 1.00 0.00 C ATOM 930 C ALA A 76 -5.896 -1.198 6.660 1.00 0.00 C ATOM 931 O ALA A 76 -6.921 -0.688 7.069 1.00 0.00 O ATOM 932 CB ALA A 76 -5.059 -3.566 6.485 1.00 0.00 C ATOM 0 H ALA A 76 -4.306 -2.452 4.440 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.966 -2.796 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.452 -3.798 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.073 -4.465 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.034 -3.205 6.577 1.00 0.00 H new ATOM 938 N GLU A 77 -4.730 -0.667 6.906 1.00 0.00 N ATOM 939 CA GLU A 77 -4.637 0.588 7.703 1.00 0.00 C ATOM 940 C GLU A 77 -5.288 1.745 6.939 1.00 0.00 C ATOM 941 O GLU A 77 -5.706 2.727 7.521 1.00 0.00 O ATOM 942 CB GLU A 77 -3.138 0.838 7.880 1.00 0.00 C ATOM 943 CG GLU A 77 -2.663 0.196 9.185 1.00 0.00 C ATOM 944 CD GLU A 77 -1.727 1.160 9.918 1.00 0.00 C ATOM 945 OE1 GLU A 77 -1.492 2.238 9.397 1.00 0.00 O ATOM 946 OE2 GLU A 77 -1.260 0.803 10.988 1.00 0.00 O ATOM 0 H GLU A 77 -3.838 -1.048 6.590 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.151 0.508 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.587 0.422 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.937 1.909 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.518 -0.047 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.146 -0.740 8.975 1.00 0.00 H new ATOM 953 N ALA A 78 -5.382 1.639 5.641 1.00 0.00 N ATOM 954 CA ALA A 78 -6.010 2.735 4.852 1.00 0.00 C ATOM 955 C ALA A 78 -7.534 2.659 4.972 1.00 0.00 C ATOM 956 O ALA A 78 -8.176 3.568 5.460 1.00 0.00 O ATOM 957 CB ALA A 78 -5.570 2.490 3.409 1.00 0.00 C ATOM 0 H ALA A 78 -5.052 0.843 5.095 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.711 3.723 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.994 3.259 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.482 2.525 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.920 1.510 3.083 1.00 0.00 H new ATOM 963 N ALA A 79 -8.117 1.579 4.534 1.00 0.00 N ATOM 964 CA ALA A 79 -9.599 1.439 4.621 1.00 0.00 C ATOM 965 C ALA A 79 -10.081 1.681 6.057 1.00 0.00 C ATOM 966 O ALA A 79 -11.251 1.908 6.296 1.00 0.00 O ATOM 967 CB ALA A 79 -9.883 -0.001 4.195 1.00 0.00 C ATOM 0 H ALA A 79 -7.631 0.784 4.118 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.117 2.163 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.957 -0.186 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.522 -0.158 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.373 -0.688 4.871 1.00 0.00 H new ATOM 973 N LYS A 80 -9.196 1.623 7.016 1.00 0.00 N ATOM 974 CA LYS A 80 -9.620 1.840 8.430 1.00 0.00 C ATOM 975 C LYS A 80 -9.189 3.224 8.928 1.00 0.00 C ATOM 976 O LYS A 80 -9.619 3.675 9.971 1.00 0.00 O ATOM 977 CB LYS A 80 -8.906 0.747 9.224 1.00 0.00 C ATOM 978 CG LYS A 80 -9.762 0.343 10.425 1.00 0.00 C ATOM 979 CD LYS A 80 -10.170 -1.125 10.287 1.00 0.00 C ATOM 980 CE LYS A 80 -11.051 -1.298 9.046 1.00 0.00 C ATOM 981 NZ LYS A 80 -12.422 -0.938 9.496 1.00 0.00 N ATOM 0 H LYS A 80 -8.202 1.436 6.883 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.704 1.796 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.723 -0.119 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.934 1.105 9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.204 0.492 11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.649 0.974 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.283 -1.754 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.710 -1.448 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.720 -0.652 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.013 -2.322 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.018 -1.790 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.378 -0.532 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.830 -0.240 8.842 1.00 0.00 H new ATOM 995 N LEU A 81 -8.339 3.904 8.204 1.00 0.00 N ATOM 996 CA LEU A 81 -7.892 5.250 8.665 1.00 0.00 C ATOM 997 C LEU A 81 -8.175 6.317 7.602 1.00 0.00 C ATOM 998 O LEU A 81 -8.535 7.434 7.917 1.00 0.00 O ATOM 999 CB LEU A 81 -6.388 5.109 8.900 1.00 0.00 C ATOM 1000 CG LEU A 81 -5.988 5.930 10.127 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.814 5.482 11.334 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -4.502 5.712 10.420 1.00 0.00 C ATOM 0 H LEU A 81 -7.938 3.588 7.321 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.421 5.566 9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.128 4.061 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.838 5.452 8.024 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.172 6.987 9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.528 6.067 12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.873 5.633 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.630 4.426 11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.214 6.296 11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.321 4.655 10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.911 6.030 9.561 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.018 5.990 6.348 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.283 7.002 5.283 1.00 0.00 C ATOM 1016 C VAL A 82 -9.498 6.596 4.440 1.00 0.00 C ATOM 1017 O VAL A 82 -9.378 6.338 3.258 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.010 7.030 4.430 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.918 5.755 3.589 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.047 8.246 3.503 1.00 0.00 C ATOM 0 H VAL A 82 -7.720 5.073 6.015 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.512 7.983 5.700 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.141 7.092 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.011 5.782 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.890 4.886 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.787 5.687 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.142 8.268 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.919 8.181 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.106 9.156 4.099 1.00 0.00 H new ATOM 1030 N PRO A 83 -10.637 6.558 5.079 1.00 0.00 N ATOM 1031 CA PRO A 83 -11.890 6.184 4.378 1.00 0.00 C ATOM 1032 C PRO A 83 -12.319 7.300 3.421 1.00 0.00 C ATOM 1033 O PRO A 83 -11.943 7.316 2.265 1.00 0.00 O ATOM 1034 CB PRO A 83 -12.897 6.016 5.512 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.365 6.857 6.626 1.00 0.00 C ATOM 1036 CD PRO A 83 -10.864 6.856 6.497 1.00 0.00 C ATOM 0 HA PRO A 83 -11.791 5.286 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.891 6.344 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.984 4.972 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.757 7.872 6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.670 6.455 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.437 7.819 6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.407 6.105 7.142 1.00 0.00 H new ATOM 1044 N MET A 84 -13.101 8.232 3.892 1.00 0.00 N ATOM 1045 CA MET A 84 -13.548 9.346 3.006 1.00 0.00 C ATOM 1046 C MET A 84 -13.016 10.685 3.526 1.00 0.00 C ATOM 1047 O MET A 84 -13.085 11.693 2.853 1.00 0.00 O ATOM 1048 CB MET A 84 -15.076 9.315 3.065 1.00 0.00 C ATOM 1049 CG MET A 84 -15.548 9.854 4.418 1.00 0.00 C ATOM 1050 SD MET A 84 -16.234 11.513 4.196 1.00 0.00 S ATOM 1051 CE MET A 84 -17.656 11.034 3.183 1.00 0.00 C ATOM 0 H MET A 84 -13.450 8.271 4.850 1.00 0.00 H new ATOM 0 HA MET A 84 -13.179 9.234 1.987 1.00 0.00 H new ATOM 0 HB2 MET A 84 -15.494 9.916 2.257 1.00 0.00 H new ATOM 0 HB3 MET A 84 -15.435 8.296 2.923 1.00 0.00 H new ATOM 0 HG2 MET A 84 -16.301 9.191 4.844 1.00 0.00 H new ATOM 0 HG3 MET A 84 -14.715 9.884 5.121 1.00 0.00 H new ATOM 0 HE1 MET A 84 -18.515 11.651 3.447 1.00 0.00 H new ATOM 0 HE2 MET A 84 -17.417 11.177 2.129 1.00 0.00 H new ATOM 0 HE3 MET A 84 -17.894 9.986 3.362 1.00 0.00 H new ATOM 1061 N GLY A 85 -12.486 10.702 4.718 1.00 0.00 N ATOM 1062 CA GLY A 85 -11.950 11.977 5.279 1.00 0.00 C ATOM 1063 C GLY A 85 -10.881 12.540 4.342 1.00 0.00 C ATOM 1064 O GLY A 85 -10.570 13.713 4.468 1.00 0.00 O ATOM 0 H GLY A 85 -12.400 9.889 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.757 12.699 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.526 11.801 6.267 1.00 0.00 H new TER 1068 GLY A 85